data_2kgr_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 2kgr _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 ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 121.199 0.524 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -5.53 33.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 126.59 82.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.71 137.28 21.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.161 2.574 . . . . 0.0 113.116 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.512 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.17 -42.82 86.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.32 -34.75 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.352 . . . . 0.0 110.487 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -70.33 -45.46 66.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 10' ' ' GLN . 27.1 ptt180 -61.46 -35.14 76.77 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 34.2 mt -66.53 -37.37 84.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.76 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -69.58 -36.04 75.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.172 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB2' HG12 ' A' ' 71' ' ' ILE . 37.2 m-85 -81.24 -35.0 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.659 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.637 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 2.6 tmm_? -61.34 -25.93 67.48 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -74.6 -13.9 60.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.178 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD12 ' HB3' ' A' ' 22' ' ' SER . 7.2 tp -156.72 39.2 0.32 Allowed 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.383 -170.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.24 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 60.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 1.9 t-20 -47.56 -45.92 27.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -152.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.5 t -63.51 -22.8 67.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -96.5 -7.82 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HB3' HG23 ' A' ' 66' ' ' THR . 9.7 p-80 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -107.15 137.76 44.6 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.918 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -72.83 165.01 25.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.803 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.76 -63.91 2.06 Favored Glycine 0 C--N 1.335 0.472 0 CA-C-O 119.647 -0.53 . . . . 0.0 113.637 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.31 -45.36 34.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.756 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -59.59 -53.38 58.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.792 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 65' ' ' LEU . . . -59.06 -46.83 87.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.762 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -64.03 -32.35 73.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.568 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 96.6 m -62.34 -46.0 90.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.806 0.336 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.44 -34.76 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.135 0.493 . . . . 0.0 110.026 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.9 mt -64.78 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.9 mtp -62.87 -28.85 70.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.595 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 7.4 mm-40 -76.6 7.18 4.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.899 0.38 . . . . 0.0 111.464 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.9 p -84.9 -19.48 32.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 67.97 21.38 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.583 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 88.3 mt -87.31 158.55 51.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 30.0 Cg_endo -63.96 142.43 81.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.727 2.285 . . . . 0.0 112.654 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.18 -34.85 74.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.093 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.742 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.26 -37.36 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.868 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -58.81 -47.49 84.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.21 83.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.2 m -65.32 -48.75 71.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.63 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 HD11 ' A' ' 77' ' ' ILE . 79.4 mt -63.02 -38.54 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -60.08 -51.11 71.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.557 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.35 -34.76 74.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.05 -39.42 65.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.355 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -71.92 -61.39 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.457 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' HB3' ' NE2' ' A' ' 61' ' ' GLN . 24.7 t0 -63.46 104.98 0.69 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.23 -28.89 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.743 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.99 9.53 12.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.753 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' A' ' 58' ' ' ASP . 28.3 mm-40 49.33 63.64 2.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.804 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -96.12 -42.17 8.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.545 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.9 21.46 8.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.797 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -138.87 130.4 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 36' ' ' ALA . 21.4 mt -109.39 114.92 28.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.444 HG23 ' HB3' ' A' ' 30' ' ' HIS . 70.6 p -76.18 -170.63 1.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -64.79 -41.14 96.05 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.362 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -64.29 -45.14 89.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.145 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.502 ' HB3' HD23 ' A' ' 65' ' ' LEU . 6.8 mm-40 -69.68 -36.09 75.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.05 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.3 mt -59.2 -41.87 85.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.002 0.429 . . . . 0.0 110.094 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.42 -52.39 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.639 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.69 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.146 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 mtp -64.98 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.579 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.49 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.8 t60 -67.17 -34.37 77.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.8 -37.24 76.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.225 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.459 HD11 HD12 ' A' ' 53' ' ' ILE . 1.7 mp -59.7 -40.96 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -39.91 95.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.0 t -61.2 -44.13 97.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.295 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.28 -38.31 89.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.5 mmt -63.08 -41.34 99.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -68.45 -12.79 61.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 25.86 59.57 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.055 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 94.5 mt-30 -101.25 144.64 28.96 Favored Pre-proline 0 N--CA 1.447 -0.593 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 17.6 Cg_exo -66.87 137.69 45.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.837 2.358 . . . . 0.0 112.735 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.8 mt -83.77 145.9 48.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.796 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.93 154.12 33.37 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.127 1.885 . . . . 0.0 112.042 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.35 -27.29 16.37 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.453 2.102 . . . . 0.0 111.636 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 t -132.5 149.98 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.86 141.12 47.27 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.482 ' O ' HG13 ' A' ' 95' ' ' ILE . 87.4 Cg_endo -88.54 152.87 6.4 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.277 1.984 . . . . 0.0 112.171 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.86 -16.94 52.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.02 2.48 . . . . 0.0 111.703 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -58.6 -35.13 71.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.447 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.25 10.38 18.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.75 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 91' ' ' PRO . 67.8 mt -94.62 118.9 66.83 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 25.5 Cg_exo -63.3 154.06 70.42 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.904 2.402 . . . . 0.0 112.529 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.75 157.16 44.06 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.084 2.522 . . . . 0.0 112.083 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.7 m 74.52 -34.84 0.28 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.524 0.729 . . . . 0.0 111.916 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.401 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 86.9 m-85 -86.15 3.16 43.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.097 0.475 . . . . 0.0 110.524 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.759 -178.566 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.9 t90 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -84.06 68.25 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.319 0.58 . . . . 0.0 112.189 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.73 132.07 16.13 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.684 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.65 121.65 8.31 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.153 2.569 . . . . 0.0 112.568 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.549 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.6 tp-100 -53.98 -53.31 54.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.639 -174.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 m -58.45 -49.13 78.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -67.54 -34.3 76.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.111 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HB2' HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -75.37 -34.61 61.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.502 -175.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 58.6 mt -64.38 -34.86 79.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -61.47 -40.92 96.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.798 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.44 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.1 m-85 -80.58 -22.13 41.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.704 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HB2' HD13 ' A' ' 71' ' ' ILE . 31.4 ttt85 -68.98 -26.43 65.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.705 0.764 . . . . 0.0 109.249 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -75.6 -13.58 60.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.559 -1.201 . . . . 0.0 112.027 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.605 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 9.2 tp -157.98 40.11 0.27 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.009 -170.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -35.9 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 119.501 3.149 . . . . 0.0 119.501 62.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -47.62 -52.36 18.19 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.746 1.157 . . . . 0.0 113.666 -156.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.487 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 73.9 m -72.19 -25.0 61.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.59 0.632 . . . . 0.0 111.808 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.605 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 37.4 m170 -75.5 -41.14 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.291 176.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 -178.059 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.624 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.6 p-80 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 122.3 1.048 . . . . 0.0 112.623 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 134.04 42.2 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.382 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.2 p -75.85 174.3 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.03 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.5 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.68 -65.99 2.84 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.17 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.44 -44.4 49.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.17 . . . . 0.0 112.685 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.08 -52.87 63.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.289 . . . . 0.0 110.988 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.534 ' HB3' HD11 ' A' ' 65' ' ' LEU . . . -62.32 -45.25 94.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.03 -38.68 92.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.374 -178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 90.8 m -64.17 -41.74 97.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.544 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.73 -40.28 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 110.037 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.66 -47.16 87.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.5 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.408 ' HA ' HD11 ' A' ' 50' ' ' LEU . 25.8 ttt -65.56 -28.93 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.67 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 48.7 mt-30 -72.67 4.89 3.51 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -77.9 -85.57 0.07 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -172.96 11.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.104 0.561 . . . . 0.0 110.789 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.84 147.54 35.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 111.454 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.93 158.68 34.56 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.586 2.191 . . . . 0.0 111.129 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -62.28 -27.89 69.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.49 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.06 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.56 -37.07 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.727 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 41' ' ' MET . 94.8 mt -61.0 -37.66 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.03 93.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 0.0 110.694 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -67.41 -42.88 82.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.938 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.446 HG21 HD12 ' A' ' 76' ' ' LEU . 80.8 mt -63.69 -43.88 98.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.453 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.5 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 44.5 t-105 -57.67 -50.58 72.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.795 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.27 -36.53 75.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.612 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.72 -28.47 60.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.019 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.4 ' HA ' HD23 ' A' ' 72' ' ' LEU . 25.1 t -88.76 -47.19 8.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -171.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -72.63 123.14 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mm -105.93 -30.53 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -129.58 -20.6 3.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.581 HE22 HG21 ' A' ' 66' ' ' THR . 40.2 mt-30 -108.26 -24.28 11.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -164.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.42 11.4 7.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.455 0.645 . . . . 0.0 110.855 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.12 26.14 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.846 -1.169 . . . . 0.0 113.83 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 50.0 mttp -150.28 146.18 26.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.474 0.637 . . . . 0.0 109.479 176.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 36' ' ' ALA . 20.8 mt -120.21 109.12 15.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.652 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.624 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.5 p -78.1 -170.71 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.699 0.285 . . . . 0.0 111.539 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 15.3 mm-40 -67.36 -42.66 83.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.158 0.504 . . . . 0.0 110.566 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB3' HD22 ' A' ' 65' ' ' LEU . 29.0 mt-10 -74.76 -40.45 61.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.214 -173.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.46 -42.2 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 13' ' ' ARG . 83.8 mt -61.09 -45.28 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.8 tp -59.3 -44.1 92.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.51 -52.96 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.405 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 38.8 mtp -70.84 -20.32 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.674 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -71.05 -35.87 72.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 HG21 ' A' ' 53' ' ' ILE . 96.7 mt -71.96 -32.94 67.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.758 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 73' ' ' ALA . 48.1 mm -59.59 -41.63 85.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.476 174.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -37.39 87.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.41 -48.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.618 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.07 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -26.43 68.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -80.24 -10.11 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.76 6.25 67.75 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.796 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.2 mm100 -82.89 143.73 46.77 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.531 0.205 . . . . 0.0 110.538 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.6 Cg_exo -73.15 153.82 51.79 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.353 . . . . 0.0 112.165 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 53.4 mt -84.83 144.06 41.45 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.002 177.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 7.8 Cg_exo -73.21 153.41 51.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.493 2.129 . . . . 0.0 111.701 177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 11.7 Cg_exo -71.5 -39.21 3.82 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 122.633 2.222 . . . . 0.0 111.3 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.04 138.13 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.551 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.4 tp -85.83 142.14 36.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.66 153.7 30.27 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.525 2.15 . . . . 0.0 111.782 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.56 -25.62 81.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.728 2.285 . . . . 0.0 111.976 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 10.2 mp0 -58.57 -34.65 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.208 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.85 -0.06 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 60.6 mt -85.7 122.28 73.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.528 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 50.1 Cg_exo -54.53 152.28 27.55 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 38.4 Cg_exo -61.38 -38.63 62.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.158 2.572 . . . . 0.0 112.887 -175.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -85.7 9.07 17.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.929 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -122.93 -31.11 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 111.671 -177.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.1 t90 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.23 39.58 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -169.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.61 122.29 20.62 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -53.67 144.61 52.48 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.946 2.431 . . . . 0.0 112.712 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 6.2 tp-100 -56.35 -47.33 79.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.587 -174.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -61.24 -37.79 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.771 0.319 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 m -74.6 -44.18 51.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 16.9 ptm180 -63.89 -36.5 84.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.749 0.309 . . . . 0.0 110.818 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.01 -40.15 75.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 50.8 tttp -58.87 -41.47 87.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.342 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -89.2 -13.45 38.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.917 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -74.94 -25.5 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 31.9 mt-30 -70.27 -14.7 62.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.891 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD13 ' OG ' ' A' ' 22' ' ' SER . 12.7 tp -157.13 42.12 0.33 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.962 -169.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -38.67 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 59.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -47.18 -46.53 23.77 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -150.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.452 ' OG ' HD13 ' A' ' 19' ' ' LEU . 9.0 p -63.04 -23.13 67.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 118.291 0.496 . . . . 0.0 112.205 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -98.56 2.02 47.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.079 0.466 . . . . 0.0 110.287 179.145 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.585 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.9 p-80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -109.29 158.95 17.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.581 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 p -89.78 177.1 6.59 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.97 -63.86 3.65 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 113.458 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.52 -42.63 60.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.76 2.307 . . . . 0.0 113.024 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.5 -50.21 68.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -60.29 -47.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.511 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 92.8 mtt180 -63.64 -30.04 71.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.935 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 41' ' ' MET . 54.6 m -56.07 -48.27 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.103 0.478 . . . . 0.0 110.481 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.3 mt -74.61 -40.9 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.387 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 73.1 mt -60.39 -37.72 81.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.244 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 38' ' ' THR . 27.4 ptt? -68.36 -18.33 64.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.691 0.281 . . . . 0.0 111.424 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.53 6.53 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.635 0.255 . . . . 0.0 111.351 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.0 p -78.51 -9.17 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.765 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 15.93 8.5 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.709 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -96.69 151.83 38.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 159.85 47.94 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.488 2.126 . . . . 0.0 112.25 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.11 -34.13 73.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.319 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -51.29 64.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.412 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -70.76 -38.02 73.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.334 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.74 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.396 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.96 74.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -66.15 -45.31 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.055 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 HD11 HD12 ' A' ' 77' ' ' ILE . 89.6 mt -64.67 -38.92 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.462 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -59.26 -47.87 83.75 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.223 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.8 -32.57 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.817 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.55 -28.42 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.615 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 t -99.72 -18.83 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.3 93.46 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' A' ' 99' ' ' PHE . 47.6 mm -74.37 -48.99 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.923 -172.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.57 -8.07 55.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.481 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 61.77 79.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.643 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -147.39 -50.34 0.19 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.187 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.57 22.34 0.69 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -119.79 133.59 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD13 ' HB1' ' A' ' 36' ' ' ALA . 17.1 mt -111.57 114.67 27.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.693 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 30' ' ' HIS . 76.3 p -74.55 -178.91 3.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.209 174.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.88 -51.04 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.674 0.273 . . . . 0.0 110.934 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.468 ' HG3' ' HE2' ' A' ' 99' ' ' PHE . 2.1 pm0 -67.27 -31.27 71.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.158 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.01 -43.16 62.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.021 0.439 . . . . 0.0 110.104 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.423 ' HE2' ' HA ' ' A' ' 36' ' ' ALA . 24.9 t80 -60.62 -40.04 90.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.8 mt -60.66 -45.46 97.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.023 0.439 . . . . 0.0 110.673 177.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.82 -49.68 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.329 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.67 75.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.362 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.3 mmm -62.17 -32.61 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 79' ' ' VAL . 84.1 t60 -70.06 -34.73 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.808 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.94 -35.78 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.465 HD12 HD11 ' A' ' 53' ' ' ILE . 1.5 mp -57.44 -46.19 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 171.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.64 -46.9 83.58 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.757 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 75' ' ' HIS . 98.7 t -56.96 -52.08 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.098 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.13 93.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.097 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.68 -29.11 69.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.349 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 m -83.05 5.63 21.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.409 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.51 77.91 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.761 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -90.21 144.53 31.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.37 166.28 29.08 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.436 2.091 . . . . 0.0 112.045 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.73 147.27 35.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.114 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.7 153.5 69.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.004 1.802 . . . . 0.0 112.086 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.33 -39.9 27.59 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.275 1.983 . . . . 0.0 111.094 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 t -140.43 153.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.0 tp -80.54 140.09 51.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 2.3 Cg_endo -84.76 153.44 11.57 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.631 2.221 . . . . 0.0 111.981 177.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.43 -27.33 75.55 Favored 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 122.774 2.316 . . . . 0.0 112.713 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.7 -27.35 68.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.354 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.454 ' HE1' ' HD2' ' A' ' 75' ' ' HIS . 25.2 m-85 -95.6 -8.47 34.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.388 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.5 mt -85.59 115.07 60.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.286 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 17.5 Cg_exo -66.3 154.45 74.16 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.848 2.366 . . . . 0.0 112.291 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 99' ' ' PHE . 52.1 Cg_exo -56.19 151.36 43.77 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.076 2.518 . . . . 0.0 112.018 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 t 74.93 -37.88 0.36 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.148 0.579 . . . . 0.0 111.142 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HB3' HG22 ' A' ' 59' ' ' ILE . 77.7 m-85 -84.62 4.73 30.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 110.672 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 178.422 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.0 t90 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 39.86 0.08 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -171.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.4 126.95 19.54 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -48.72 133.67 27.21 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.469 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.491 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 20.5 mt-30 -60.21 -39.46 86.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.036 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m -65.55 -39.31 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -74.04 -41.46 61.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 8.2 ptp180 -62.58 -34.18 76.45 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.422 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 mt -71.3 -37.95 71.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 110.988 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.59 -45.41 65.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.186 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -85.42 -9.72 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.135 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.8 ttp180 -74.94 -25.79 59.14 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 170.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -14.13 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.369 177.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.0 tp -158.86 42.42 0.24 Allowed 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.31 -170.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.494 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 32.0 t80 -37.7 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 119.933 3.309 . . . . 0.0 119.933 59.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -47.82 -41.58 24.08 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.518 1.674 . . . . 0.0 115.518 -152.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.511 ' HB2' HD12 ' A' ' 19' ' ' LEU . 42.9 m -59.51 -24.77 63.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.773 0.715 . . . . 0.0 111.945 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.65 -32.98 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.234 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 CA--C 1.515 -0.389 0 CA-C-O 121.793 0.806 . . . . 0.0 109.741 178.627 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.585 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 . . . . . 0 CA--C 1.515 -0.396 0 CA-C-O 120.773 0.32 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 81.8 mt -92.2 141.32 28.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.14 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.87 165.31 21.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.061 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.74 -64.19 2.22 Favored Glycine 0 CA--C 1.522 0.5 0 O-C-N 123.393 0.433 . . . . 0.0 113.564 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.97 -41.62 73.19 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.555 2.17 . . . . 0.0 112.369 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.07 -54.54 43.78 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.277 0.361 . . . . 0.0 111.272 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.552 ' HB2' HD11 ' A' ' 65' ' ' LEU . . . -61.11 -44.07 97.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.933 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 37' ' ' ARG . 22.9 mtm180 -63.4 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.453 -178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 92.2 m -58.25 -52.51 65.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.0 -39.71 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 52.9 mt -58.76 -41.12 85.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.015 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.71 -19.27 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.707 0.289 . . . . 0.0 111.606 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.9 mm-40 -74.66 -2.86 28.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 111.312 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -77.03 -19.64 56.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.452 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.8 m 69.05 14.52 8.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.44 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 97.3 mt -76.2 160.17 78.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.5 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 35.8 Cg_endo -65.94 144.64 77.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.959 1.773 . . . . 0.0 111.274 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.08 -28.29 69.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.936 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.79 -47.03 81.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.09 0.471 . . . . 0.0 110.778 175.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 87.9 mt-30 -73.33 -38.32 65.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 178.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.18 -46.59 88.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.941 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.58 94.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.529 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.2 m -60.16 -48.75 80.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 77' ' ' ILE . 94.7 mt -60.38 -44.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.932 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -59.57 -50.58 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.34 -34.91 76.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 mt -74.65 -31.7 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.946 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -87.16 -35.25 18.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -74.96 93.42 2.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.422 0.629 . . . . 0.0 109.829 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.483 HG22 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mm -82.45 -33.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.949 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.89 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.082 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 65.01 54.68 1.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.317 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.91 -10.36 3.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.85 35.07 10.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.666 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -139.17 148.0 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 36' ' ' ALA . 31.3 mt -120.73 112.01 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.593 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 30' ' ' HIS . 52.6 p -71.03 178.11 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.6 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -60.57 -38.37 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.73 0.3 . . . . 0.0 110.674 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -67.16 -43.0 83.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.44 -35.12 65.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -60.04 -42.65 94.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.286 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.6 mt -59.0 -45.01 92.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.229 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD23 ' HD3' ' A' ' 96' ' ' PRO . 63.5 tp -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.659 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -52.97 62.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.93 -28.73 70.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.447 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.501 ' O ' HG21 ' A' ' 79' ' ' VAL . 75.9 t60 -68.12 -34.72 76.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.464 HD12 HG22 ' A' ' 53' ' ' ILE . 97.1 mt -69.7 -38.71 77.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.046 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 53' ' ' ILE . 1.8 mp -59.38 -43.54 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.97 -41.84 88.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 75' ' ' HIS . 91.4 t -63.5 -45.35 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.425 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.65 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.4 mmt -64.37 -17.59 63.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.452 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -89.97 -10.85 43.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.961 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.11 23.27 32.78 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.275 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -94.8 143.73 26.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.692 0.282 . . . . 0.0 111.318 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.1 Cg_exo -74.16 134.84 19.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 111.431 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.72 144.0 41.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.84 154.01 43.0 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.531 2.154 . . . . 0.0 112.502 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.16 -28.37 12.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.398 2.065 . . . . 0.0 111.665 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.38 152.7 36.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.5 tp -101.08 140.33 21.21 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 9.7 Cg_exo -74.21 153.73 46.16 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.789 2.326 . . . . 0.0 112.132 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 31.2 Cg_exo -60.68 -28.17 86.07 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.0 2.467 . . . . 0.0 113.01 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.25 -17.5 64.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 111.525 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -101.64 -1.07 33.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.305 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 92' ' ' PRO . 69.5 mt -78.3 124.8 85.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.691 0.281 . . . . 0.0 110.781 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.533 ' HD3' HD23 ' A' ' 72' ' ' LEU . 32.1 Cg_endo -63.88 154.43 69.89 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.102 2.535 . . . . 0.0 112.803 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.51 151.22 38.97 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.046 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.1 m 74.29 -36.54 0.33 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.272 0.629 . . . . 0.0 111.958 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.483 ' HB3' HG22 ' A' ' 59' ' ' ILE . 97.8 m-85 -88.41 7.87 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.116 0.484 . . . . 0.0 110.235 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.961 -179.033 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.515 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 9.4 t90 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.54 67.48 2.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.753 -169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 p -142.86 129.17 10.55 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.771 171.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 50.9 Cg_exo -54.48 141.99 71.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.07 2.513 . . . . 0.0 113.216 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.558 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 18.8 pt20 -60.43 -35.49 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.983 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -61.75 -42.25 98.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -66.15 -42.17 89.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 18.3 mtp180 -58.72 -38.41 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.36 -48.02 52.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.408 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.04 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB2' HG12 ' A' ' 71' ' ' ILE . 53.4 m-85 -86.03 -7.08 58.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.803 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.798 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 22' ' ' SER . 9.7 tp -162.71 42.54 0.12 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.006 -166.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -38.99 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 58.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -46.82 -41.08 14.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -150.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' HD12 ' A' ' 19' ' ' LEU . 34.0 m -59.21 -23.08 61.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.752 0.706 . . . . 0.0 111.394 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -102.32 12.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.485 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' THR . 7.3 p-80 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.21 158.26 16.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.05 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 p -90.03 173.61 8.11 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.322 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.09 -64.46 3.97 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.378 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.17 -43.05 55.93 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.616 2.21 . . . . 0.0 112.594 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.4 -47.42 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.575 0.226 . . . . 0.0 110.954 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' HB3' HD12 ' A' ' 65' ' ' LEU . . . -60.74 -46.67 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.204 0.526 . . . . 0.0 110.58 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.51 -39.75 94.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.721 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 96.8 m -59.79 -45.25 92.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.954 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.35 -39.26 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.004 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.476 ' HB3' HD23 ' A' ' 50' ' ' LEU . 61.1 mt -57.39 -42.81 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.251 176.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.3 mtp -68.41 -18.79 64.53 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.613 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -79.5 1.58 25.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 m -78.91 -85.02 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.416 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 m 175.86 -32.77 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.678 0.791 . . . . 0.0 109.942 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 69.0 mt -66.81 144.99 98.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.848 -173.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.76 177.85 7.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.846 2.364 . . . . 0.0 112.123 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.19 -37.89 72.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.099 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.87 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.333 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 15.1 mm100 -73.46 -38.96 65.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 40' ' ' LEU . 51.6 mt -62.15 -45.17 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.52 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.65 83.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.738 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 t -62.47 -49.28 76.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.14 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.69 -42.55 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.984 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -57.91 -48.49 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.448 . . . . 0.0 110.295 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.65 -33.87 73.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.721 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.78 -37.45 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.522 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -78.97 -46.64 17.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.24 117.55 19.61 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 110.41 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.4 mm -94.42 -26.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.241 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.04 -15.86 18.09 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.225 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 72.29 21.9 3.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.523 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.519 ' OD2' ' HD3' ' A' ' 64' ' ' LYS . 22.7 t0 -73.77 -32.79 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.438 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.98 1.36 61.45 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.221 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 10.3 mptt -114.63 140.2 49.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 36' ' ' ALA . 29.7 mt -108.48 122.89 47.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 30' ' ' HIS . 43.6 p -78.64 -169.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.35 -47.2 71.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.101 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.98 -35.25 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.492 ' HB3' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -70.12 -38.98 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.036 0.446 . . . . 0.0 110.156 177.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.69 -46.01 90.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 67' ' ' ALA . 78.5 mt -59.56 -41.11 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.338 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.437 HD21 ' HD3' ' A' ' 96' ' ' PRO . 49.6 tp -62.13 -51.7 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.18 78.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.204 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.3 mmm -67.38 -29.29 68.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.335 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.508 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.9 t60 -68.01 -36.32 79.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.76 -36.08 70.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.834 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 81' ' ' MET . 24.4 mm -56.58 -49.78 76.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.903 173.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.6 -39.99 81.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.49 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 75' ' ' HIS . 97.6 t -64.51 -50.43 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HB3' HD21 ' A' ' 86' ' ' LEU . . . -67.67 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.5 OUTLIER -59.02 -27.22 65.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.33 0.652 . . . . 0.0 111.29 176.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 t -87.71 6.57 34.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.4 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.54 25.34 43.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.619 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.408 ' HB2' HG13 ' A' ' 79' ' ' VAL . 30.4 mm-40 -100.8 147.83 34.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.549 0.214 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.83 153.38 33.24 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.759 2.306 . . . . 0.0 112.463 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 80' ' ' ALA . 91.3 mt -95.97 144.26 27.52 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.662 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 74.2 Cg_endo -81.46 154.8 18.57 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.701 2.267 . . . . 0.0 112.496 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.4 Cg_exo -74.52 -32.67 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.723 2.282 . . . . 0.0 111.025 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.36 147.98 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.234 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.1 tp -102.99 141.95 23.54 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.896 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 16.2 Cg_exo -71.1 153.09 62.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.62 2.214 . . . . 0.0 112.209 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 95' ' ' ILE . 33.8 Cg_exo -59.1 -30.81 94.21 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.247 2.631 . . . . 0.0 113.529 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.3 mp0 -60.98 -28.62 69.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.691 0.281 . . . . 0.0 111.488 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -93.46 -5.0 50.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 92' ' ' PRO . 59.8 mt -90.57 126.65 55.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.676 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.437 ' HD3' HD21 ' A' ' 72' ' ' LEU . 37.0 Cg_exo -61.83 157.86 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.986 2.457 . . . . 0.0 112.056 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.27 175.3 5.97 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.97 2.446 . . . . 0.0 112.688 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m 70.65 -65.92 0.31 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.812 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -63.91 -10.57 21.75 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.43 179.649 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.99 126.97 84.86 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.566 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.4 Cg_exo -51.15 147.78 19.56 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.442 2.761 . . . . 0.0 113.28 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.48 -45.78 87.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.628 -175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -62.23 -34.15 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -70.79 -41.23 71.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 29.3 mtm180 -59.38 -38.04 79.48 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.85 -47.81 83.36 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 88.0 tttt -63.66 -42.63 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.412 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.5 m-85 -79.08 -18.21 53.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.81 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.6 tpt180 -75.02 -26.79 59.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 54.0 mt-30 -76.18 -17.38 59.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.638 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 22' ' ' SER . 5.2 tp -156.32 43.49 0.4 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.483 -168.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.48 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 6.2 t80 -38.67 -85.37 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 119.945 3.313 . . . . 0.0 119.945 57.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -47.13 -44.3 21.48 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -149.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.545 ' HB2' HD11 ' A' ' 19' ' ' LEU . 35.5 m -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.349 0.522 . . . . 0.0 112.007 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -103.14 9.78 38.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.73 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.6 t0 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.76 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB3' HG23 ' A' ' 66' ' ' THR . 13.1 p-80 . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 99.0 mt -116.57 154.44 30.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.986 173.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 p -81.7 171.75 14.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.437 0.161 . . . . 0.0 110.8 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.2 -64.71 4.04 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 113.34 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.38 -41.09 80.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.526 2.151 . . . . 0.0 112.381 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.55 -44.19 91.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.718 0.294 . . . . 0.0 110.8 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.571 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.05 -48.5 81.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 110.303 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -65.8 -29.14 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.941 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -60.77 -41.45 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.859 0.361 . . . . 0.0 110.506 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.15 -38.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 HD12 ' A' ' 77' ' ' ILE . 71.7 mt -60.37 -39.58 87.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.053 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.48 -23.21 66.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -72.48 -9.99 59.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 111.097 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.8 -12.61 55.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.301 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t 64.95 25.22 12.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.43 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 77' ' ' ILE . 85.9 mt -79.83 151.41 73.67 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.586 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.02 154.35 52.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.327 2.018 . . . . 0.0 111.758 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.39 -24.98 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.825 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.47 -47.89 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.866 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.27 -39.13 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.423 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.92 -42.74 94.58 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.73 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.15 75.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.842 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -73.81 -47.69 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.08 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.97 -48.45 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -59.54 -46.9 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.354 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.18 -33.06 71.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.508 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.6 mt -74.46 -39.52 62.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.525 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 p -77.79 -37.93 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.49 111.82 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.65 -52.71 6.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -116.07 -22.79 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.595 ' NE2' HG22 ' A' ' 66' ' ' THR . 43.2 mt-30 -96.85 -22.48 16.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 -166.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 68.11 13.98 9.2 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.2 28.77 0.02 OUTLIER Glycine 0 C--N 1.319 -0.396 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.228 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -148.73 161.07 42.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 36' ' ' ALA . 21.4 mt -125.39 117.03 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.712 0.291 . . . . 0.0 110.858 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.595 HG22 ' NE2' ' A' ' 61' ' ' GLN . 23.0 p -74.69 -175.82 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.28 -41.53 85.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 109.794 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.7 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 35.2 mp0 -64.25 -42.92 96.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.771 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.08 -33.26 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 110.365 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.5 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 9.3 t80 -66.03 -45.45 81.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.579 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -57.31 -45.02 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.108 0.48 . . . . 0.0 110.499 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 65.3 tp -60.5 -45.42 93.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.458 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.13 -52.32 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.759 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.5 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 36.3 mtp -67.98 -26.91 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.826 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.9 t60 -69.31 -37.47 77.79 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.739 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 89.0 mt -67.19 -37.61 83.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.197 0.523 . . . . 0.0 109.608 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.645 HD12 HD21 ' A' ' 40' ' ' LEU . 62.6 mt -61.77 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.832 175.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.14 -38.67 73.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.6 t -70.52 -45.46 74.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.834 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.33 77.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -57.51 -40.41 78.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.267 0.627 . . . . 0.0 110.754 177.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -67.53 -29.88 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.017 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.21 9.11 26.34 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.509 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -76.12 144.99 76.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.25 . . . . 0.0 110.618 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.63 139.11 43.46 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.747 2.298 . . . . 0.0 111.94 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.1 144.88 37.0 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.876 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.446 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 46.1 Cg_endo -71.74 153.35 59.23 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.178 1.919 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.6 Cg_exo -78.94 -36.19 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.796 2.33 . . . . 0.0 110.791 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 26.9 m -114.28 161.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.683 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 15.5 tp -119.02 138.88 26.61 Favored Pre-proline 0 C--N 1.319 -0.725 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.814 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.2 Cg_exo -83.28 153.92 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.182 2.588 . . . . 0.0 112.369 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.41 -13.29 39.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.333 2.689 . . . . 0.0 113.448 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.36 -14.57 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -95.11 -25.41 16.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 69.4 mt -70.95 129.71 89.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.7 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 52.6 Cg_exo -55.77 153.6 29.8 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.85 2.366 . . . . 0.0 112.904 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 99' ' ' PHE . 50.4 Cg_exo -54.85 150.05 39.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.965 2.444 . . . . 0.0 112.034 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 m 75.41 -28.36 0.19 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.457 0.703 . . . . 0.0 111.542 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 97' ' ' PRO . 95.4 m-85 -91.4 -15.45 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.591 0.234 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.32 -179.09 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.81 41.65 0.28 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.98 125.08 24.78 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -51.22 148.9 17.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.992 2.461 . . . . 0.0 112.472 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.43 -37.84 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.675 -175.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -66.94 -40.43 87.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.004 0.431 . . . . 0.0 110.154 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -67.64 -43.51 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 10.8 ptp180 -63.89 -33.06 74.84 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.656 0.265 . . . . 0.0 110.7 -177.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 mt -71.12 -40.19 71.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.268 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.32 -47.46 83.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.42 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -80.61 -30.0 36.82 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.737 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB2' HD12 ' A' ' 71' ' ' ILE . 49.3 ttp85 -67.19 -25.32 66.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.24 -12.96 60.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.597 177.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 22' ' ' SER . 10.3 tp -153.21 38.36 0.5 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.531 -171.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.39 -85.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 61.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -49.01 -38.28 22.97 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -152.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.519 ' HB3' HD12 ' A' ' 19' ' ' LEU . 36.3 t -65.4 -27.76 68.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.608 0.64 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -91.64 -17.41 25.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.354 . . . . 0.0 110.663 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.704 179.191 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' HB3' HG21 ' A' ' 66' ' ' THR . 6.6 p-80 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 122.321 1.057 . . . . 0.0 113.487 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.12 141.78 44.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.657 172.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -84.67 177.8 7.91 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.201 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.661 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.46 -64.66 3.69 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.218 -177.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -48.24 23.02 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.877 2.384 . . . . 0.0 112.728 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.72 -55.15 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.494 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.547 ' HB2' HD13 ' A' ' 65' ' ' LEU . . . -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.404 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' HD11 ' A' ' 40' ' ' LEU . 9.0 ttm180 -70.78 -29.75 66.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.483 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.502 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 52.7 m -62.59 -42.74 99.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.387 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.9 mt -61.68 -42.37 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.403 0.621 . . . . 0.0 109.579 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 37' ' ' ARG . 82.9 mt -59.26 -44.71 92.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.247 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -67.66 -34.0 76.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.12 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 38' ' ' THR . 47.0 mt-30 -74.5 0.71 13.85 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -77.51 -80.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.508 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 66.0 m -171.38 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.803 0.335 . . . . 0.0 110.819 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 50.6 mt -61.42 144.79 91.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.322 -170.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 18.8 Cg_exo -65.94 161.63 38.72 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.819 3.012 . . . . 0.0 112.706 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -27.8 65.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.514 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.95 -51.31 64.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.454 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -65.36 -37.92 88.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.972 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 86.7 mt -59.77 -44.94 93.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.808 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.12 91.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.467 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.6 m -58.74 -49.34 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.149 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.452 ' CD1' HD13 ' A' ' 77' ' ' ILE . 90.3 mt -66.06 -41.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.189 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.661 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 50.9 t-105 -61.13 -48.14 82.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.907 0.384 . . . . 0.0 110.349 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.13 -37.23 76.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.31 -29.13 61.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.787 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -82.9 -48.78 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.051 -171.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -79.57 104.53 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.181 0.515 . . . . 0.0 109.747 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.6 mm -71.0 -23.26 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.295 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 3.81 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 43.45 40.55 2.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.061 0.944 . . . . 0.0 111.339 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.36 -41.05 13.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.127 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.84 32.76 3.0 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -172.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.507 ' HZ2' ' HB2' ' A' ' 64' ' ' LYS . 9.6 mtmp? -138.16 139.77 39.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.32 . . . . 0.0 110.616 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 36' ' ' ALA . 20.3 mt -124.71 105.95 9.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.613 172.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.52 HG21 ' HB3' ' A' ' 30' ' ' HIS . 53.3 p -79.56 -171.75 2.94 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.579 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -57.63 -52.48 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 111.226 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.655 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.89 -40.35 60.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.226 0.536 . . . . 0.0 110.085 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.536 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 28.5 t80 -67.35 -37.46 83.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.802 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 67' ' ' ALA . 82.3 mt -55.74 -44.17 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.099 0.476 . . . . 0.0 110.346 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.73 -47.09 87.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.328 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.96 -53.97 52.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.157 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.536 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 29.6 mtp -68.01 -24.78 65.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.692 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.515 ' O ' HG21 ' A' ' 79' ' ' VAL . 62.1 t60 -73.09 -34.41 66.18 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.81 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.7 -35.54 81.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 173.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 74' ' ' MET . 30.6 mm -56.84 -49.81 77.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 173.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.09 -39.58 78.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 75' ' ' HIS . 96.3 t -63.37 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.659 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.5 -29.98 69.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.508 ' HE1' ' HB2' ' A' ' 44' ' ' SER . 19.3 mmt -60.33 -30.36 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 174.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -80.56 0.19 34.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.37 67.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -93.18 144.48 28.41 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 10.4 Cg_exo -71.97 134.73 24.02 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.939 2.426 . . . . 0.0 111.725 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.14 146.15 66.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.689 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.32 153.15 12.3 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.288 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.09 -7.47 8.1 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.567 2.178 . . . . 0.0 111.555 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.5 t -132.79 151.25 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.9 tp -104.28 140.15 20.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -74.42 154.23 45.38 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.535 2.157 . . . . 0.0 111.692 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.436 ' HA ' HD12 ' A' ' 95' ' ' ILE . 22.9 Cg_exo -64.62 -26.49 61.43 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.721 2.281 . . . . 0.0 112.126 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -66.67 -14.72 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.576 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -106.9 8.3 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.318 -0.238 . . . . 0.0 111.125 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 92' ' ' PRO . 66.3 mt -96.29 115.85 65.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 154.45 73.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.654 2.236 . . . . 0.0 112.673 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.38 159.83 25.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.796 2.331 . . . . 0.0 112.051 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 m 72.41 -50.19 0.7 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.69 0.619 . . . . 0.0 111.269 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -72.08 -5.87 38.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.311 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.103 176.234 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.3 t90 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.785 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.03 117.0 12.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.877 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 55.0 Cg_exo -38.01 130.91 0.9 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.704 2.936 . . . . 0.0 113.348 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 1.9 tt0 -55.93 -29.93 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.126 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -56.84 -41.53 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.9 m -70.32 -43.49 70.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 14.8 ptt180 -77.17 -32.03 55.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.34 -37.55 87.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.159 0.504 . . . . 0.0 110.663 174.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 39.1 tttp -66.11 -44.14 85.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 63.5 t80 -71.42 -32.12 68.03 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.006 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 43.4 ttp180 -57.53 -24.39 55.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.137 177.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-30 -82.84 -13.27 56.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.585 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -157.4 42.7 0.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.535 0.734 . . . . 0.0 110.304 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.437 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -37.5 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 120.0 3.333 . . . . 0.0 120.0 57.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 25.7 t-20 -46.88 -46.13 20.91 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -151.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.2 m -62.19 -25.43 67.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.595 0.634 . . . . 0.0 112.137 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -96.88 -44.21 7.14 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.616 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.379 -174.093 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.551 ' HB3' HG22 ' A' ' 66' ' ' THR . 19.9 p-80 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.0 mt -100.67 165.86 11.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.9 p -87.58 165.68 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -49.85 -64.0 3.8 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.375 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -52.07 -45.73 37.04 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.602 2.201 . . . . 0.0 112.577 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.3 -53.19 61.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.621 0.248 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB2' HD13 ' A' ' 65' ' ' LEU . . . -57.64 -49.18 77.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.657 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' MET . 16.6 mtp180 -64.58 -34.35 78.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.807 -176.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.473 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 85.7 m -61.56 -43.02 99.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.491 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.68 -38.24 65.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.094 0.473 . . . . 0.0 110.094 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 74.6 mt -58.27 -41.94 85.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.682 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 92.5 mtp -69.78 -18.42 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 38' ' ' THR . 78.4 mm-40 -73.81 -1.61 20.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 p -79.74 -17.52 53.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.381 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 69.54 15.84 8.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.992 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.62 154.14 78.61 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.515 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.648 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 31.2 Cg_endo -65.09 145.49 84.95 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.144 1.896 . . . . 0.0 112.093 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -57.96 -28.7 64.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.566 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.63 88.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.648 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 38.6 mt-30 -73.25 -36.53 66.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.037 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.79 -43.53 98.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.85 89.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -66.62 -42.54 86.63 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 49' ' ' GLN . 82.8 mt -60.02 -47.36 92.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 56.1 t-105 -59.46 -49.89 76.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.32 -31.4 71.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.288 -177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -74.73 -38.59 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.466 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.465 ' O ' HD12 ' A' ' 59' ' ' ILE . 71.0 p -77.85 -41.36 37.15 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -85.13 100.95 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 99' ' ' PHE . 3.1 mp -73.16 -45.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.26 -26.71 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.335 -174.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 64.64 73.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.575 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -122.06 -24.34 5.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.151 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.75 32.33 2.92 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.29 -174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -142.28 170.61 15.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 36' ' ' ALA . 13.5 mt -137.93 115.63 11.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.469 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.8 p -72.75 175.81 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.586 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.75 -45.0 93.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.135 0.493 . . . . 0.0 110.638 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.328 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' ' 59' ' ' ILE . 49.2 mt-10 -75.46 -41.91 54.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.159 0.504 . . . . 0.0 111.432 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.465 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -65.8 -36.14 82.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 -177.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 67' ' ' ALA . 70.0 mt -55.71 -46.58 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.062 0.458 . . . . 0.0 109.931 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.9 tp -59.17 -43.75 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -50.96 71.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.342 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mtp -62.25 -33.93 75.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.526 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 81.0 t60 -69.17 -38.93 78.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.542 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.0 mt -64.66 -36.22 83.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.323 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.33 -49.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.823 176.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.0 -37.01 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' HIS . 84.7 t -67.31 -48.24 78.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 84' ' ' GLN . . . -62.08 -41.87 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 0.0 110.739 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -21.71 66.34 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.078 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 t -79.42 -4.35 50.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.787 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.46 0.51 55.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.074 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 15.8 mm100 -91.83 144.41 29.31 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-O 120.623 0.249 . . . . 0.0 110.535 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.38 174.29 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.578 2.185 . . . . 0.0 111.598 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.3 mt -96.58 143.08 25.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.97 154.18 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.698 2.266 . . . . 0.0 112.169 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.21 -24.29 20.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.687 2.258 . . . . 0.0 111.696 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.13 147.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.402 177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 19.0 tp -93.96 141.57 23.87 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.477 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.3 Cg_exo -76.35 152.86 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.409 2.072 . . . . 0.0 111.702 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.506 ' HA ' HD13 ' A' ' 95' ' ' ILE . 39.5 Cg_exo -58.21 -35.1 99.04 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.942 2.428 . . . . 0.0 112.497 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.43 -34.66 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.037 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -96.28 -2.45 45.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.555 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 92' ' ' PRO . 73.7 mt -79.45 124.03 84.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.41 155.35 58.14 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.961 2.441 . . . . 0.0 112.369 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.74 176.21 3.08 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.665 2.243 . . . . 0.0 111.892 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m 69.89 -59.28 0.51 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.207 0.603 . . . . 0.0 111.618 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.527 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.0 m-85 -84.71 17.59 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.65 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.007 0.432 . . . . 0.0 111.007 178.336 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.2 t90 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.13 49.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.411 HG23 HG23 ' A' ' 71' ' ' ILE . 7.2 p -133.73 130.85 20.89 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 172.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.35 142.27 22.83 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.555 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 48.0 mt-30 -65.06 -35.8 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -60.01 -40.31 88.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -68.99 -45.33 70.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.768 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptp180 -67.77 -30.41 69.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.698 0.285 . . . . 0.0 110.804 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.94 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.681 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.522 ' HB2' HG12 ' A' ' 71' ' ' ILE . 59.3 m-85 -87.62 -2.88 58.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.918 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -76.53 -33.18 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 162.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 26.3 mt-30 -79.54 -12.64 59.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.92 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 22' ' ' SER . 15.4 tp -155.71 44.28 0.45 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.799 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 2.3 m-85 -37.92 -83.93 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 55.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 3.3 t-20 -46.64 -37.22 7.91 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -151.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' ' 19' ' ' LEU . 32.3 t -60.52 -24.05 65.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.438 0.563 . . . . 0.0 111.195 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -110.75 16.94 21.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 3.0 t70 . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.1 0.476 . . . . 0.0 111.558 -175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.503 ' HB3' HG23 ' A' ' 66' ' ' THR . 36.7 p-80 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 83.8 mt -95.14 157.18 16.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 p -90.44 169.6 10.92 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.618 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.55 -64.84 2.91 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.946 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -49.69 -45.04 33.41 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.705 2.27 . . . . 0.0 112.721 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.71 -54.98 40.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.865 0.364 . . . . 0.0 111.066 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -62.09 -47.55 84.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.15 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.11 -33.49 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.965 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.531 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.8 m -65.58 -41.67 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.57 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.79 -36.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.106 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 65.6 mt -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.683 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.15 -17.32 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.751 -175.287 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 38' ' ' THR . 93.0 mt-30 -63.02 -16.15 58.82 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.84 0.352 . . . . 0.0 111.484 -178.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.3 t -75.66 -6.36 50.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.921 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m 66.45 15.52 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.885 0.474 . . . . 0.0 111.668 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.72 151.21 67.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.04 135.87 44.5 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.902 2.402 . . . . 0.0 111.847 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.1 86.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.068 0.461 . . . . 0.0 109.93 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.46 -32.57 66.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.353 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 47' ' ' GLN . 91.6 mt -61.59 -44.01 97.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.38 177.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 67.1 m -60.62 -49.14 78.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.23 -42.83 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -57.46 -50.66 72.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.058 0.456 . . . . 0.0 109.932 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.35 -31.97 73.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.285 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 52' ' ' SER . 72.3 mt -70.09 -36.09 74.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.473 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -94.29 -20.76 19.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.564 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.3 123.89 20.78 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 111.445 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.62 -58.99 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.221 0.534 . . . . 0.0 109.575 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -165.68 39.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.437 ' C ' ' H ' ' A' ' 63' ' ' GLY . 15.5 mm-40 -86.93 -51.23 6.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.062 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 75.58 -35.42 0.27 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.292 0.995 . . . . 0.0 110.906 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' GLN . . . -155.05 34.84 0.66 Allowed Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.284 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HE2' ' OE1' ' A' ' 61' ' ' GLN . 35.3 mtmm -146.47 161.22 40.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD13 ' HB1' ' A' ' 36' ' ' ALA . 13.3 mt -152.03 115.88 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.432 0.457 . . . . 0.0 109.813 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.503 HG23 ' HB3' ' A' ' 30' ' ' HIS . 72.7 p -76.54 175.93 8.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.54 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -55.11 -51.59 65.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 111.584 -175.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.82 -29.63 68.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.708 -176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HB3' HD23 ' A' ' 65' ' ' LEU . 47.2 mt-10 -74.42 -43.85 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.232 0.539 . . . . 0.0 109.932 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.36 -41.97 85.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 67' ' ' ALA . 75.5 mt -59.9 -44.24 93.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.86 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.497 HD23 ' HD3' ' A' ' 96' ' ' PRO . 57.6 tp -62.24 -49.12 76.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.1 85.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.522 ' O ' ' HB ' ' A' ' 77' ' ' ILE . 93.4 mmm -69.85 -28.34 65.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.327 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.51 -34.08 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.984 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.28 -29.49 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 74' ' ' MET . 31.2 mm -56.57 -48.61 80.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.304 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.8 -44.42 73.76 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.604 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.08 -51.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.753 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.21 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.29 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.4 ttt -63.99 -21.01 66.31 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.2 t -90.36 3.36 53.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.305 0.574 . . . . 0.0 110.267 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 19.49 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 16.3 mm100 -95.82 144.65 28.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.612 0.244 . . . . 0.0 110.99 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 5.1 Cg_exo -74.37 146.53 35.58 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.921 2.414 . . . . 0.0 111.862 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 84.7 mt -85.34 143.9 39.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.153 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.0 Cg_exo -70.28 153.08 66.86 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.535 2.157 . . . . 0.0 111.904 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.02 -22.96 16.56 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.579 2.186 . . . . 0.0 111.801 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.63 150.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.467 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.0 tp -99.91 141.25 22.42 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 15.9 Cg_exo -71.25 153.33 61.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.535 2.157 . . . . 0.0 111.888 174.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 23.7 Cg_exo -64.52 -29.74 61.57 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.929 2.419 . . . . 0.0 112.779 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.94 -13.8 61.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -91.24 -16.24 27.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.954 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.75 123.18 87.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.177 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.497 ' HD3' HD23 ' A' ' 72' ' ' LEU . 22.0 Cg_endo -61.57 154.42 59.86 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.762 2.308 . . . . 0.0 112.62 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.25 156.54 24.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.106 2.538 . . . . 0.0 112.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m 69.61 -53.78 0.6 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.375 0.67 . . . . 0.0 111.848 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -65.03 -9.51 22.51 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.691 0.397 . . . . 0.0 111.908 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.195 177.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.4 t90 . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 120.704 0.288 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.4 69.33 9.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.188 0.518 . . . . 0.0 112.016 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.33 129.14 14.28 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.01 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.83 136.11 22.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.327 2.685 . . . . 0.0 112.839 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.7 tt0 -59.68 -42.18 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.153 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -57.87 -34.14 69.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -71.69 -39.11 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.018 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -76.97 -32.29 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 0.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 73.6 mt -60.32 -42.61 95.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.295 171.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 45.4 tttp -58.4 -39.48 79.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.765 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.503 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 81.2 t80 -77.98 -32.79 51.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 120.216 -0.594 . . . . 0.0 112.139 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.7 ttp180 -58.0 -24.3 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.073 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 5.2 mt-30 -74.25 -14.13 60.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.199 -1.364 . . . . 0.0 112.4 176.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 tp -161.67 43.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.644 0.778 . . . . 0.0 109.912 -167.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -39.59 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 120.039 3.348 . . . . 0.0 120.039 57.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.7 t-20 -46.09 -43.57 14.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -151.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 m -67.48 -23.77 65.52 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -112.69 -5.76 13.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.248 0.547 . . . . 0.0 111.106 -176.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.574 ' CB ' ' HA ' ' A' ' 66' ' ' THR . 27.7 p-80 . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 120.891 0.377 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.16 165.18 13.27 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.01 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.9 p -85.91 166.06 16.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.504 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.27 -63.75 3.81 Favored Glycine 0 N--CA 1.451 -0.332 0 O-C-N 123.639 0.587 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.13 -46.58 32.92 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.922 2.415 . . . . 0.0 113.061 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 35' ' ' GLN . 5.9 mt-30 -61.86 -43.1 99.53 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.674 0.215 . . . . 0.0 111.362 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.559 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.72 -48.13 80.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.317 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -64.57 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.4 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 80.2 m -59.28 -53.35 59.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.543 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.51 -36.55 77.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.413 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.9 mt -60.75 -45.1 95.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.516 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 86.6 mmm -67.62 -22.94 65.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 38' ' ' THR . 72.9 mm-40 -67.7 -18.6 64.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.025 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -69.43 -21.89 63.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.489 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.8 m 68.56 24.42 6.97 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.565 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 HD22 ' HG2' ' A' ' 81' ' ' MET . 77.5 mt -81.02 164.11 52.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.818 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 12.4 Cg_endo -57.97 128.78 30.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.736 2.29 . . . . 0.0 112.497 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -34.23 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.691 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.68 86.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.003 0.43 . . . . 0.0 110.739 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -43.25 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.135 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.88 -39.46 81.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.398 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.02 94.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 t -70.2 -45.69 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.008 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.75 -42.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -59.46 -50.95 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.653 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.37 -38.02 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.554 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.54 -35.25 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.42 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -71.72 -48.04 49.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.024 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -73.54 111.15 8.41 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.0 -37.57 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.405 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 18.0 t70 -79.61 -28.68 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.092 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 78.7 mt-30 70.59 37.97 1.37 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.782 0.801 . . . . 0.0 109.366 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.07 -31.59 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.446 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.73 26.95 5.12 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.141 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -140.91 -178.29 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.5 mt -144.42 116.95 8.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.989 0.181 . . . . 0.0 110.663 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.574 ' HA ' ' CB ' ' A' ' 30' ' ' HIS . 67.4 p -72.25 174.19 7.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.75 -53.59 53.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 45.8 mt-10 -67.7 -29.01 68.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.039 -174.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.5 -42.99 61.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.536 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -63.01 -33.45 75.46 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.535 176.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 67' ' ' ALA . 63.2 mt -57.44 -47.82 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.059 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 66.7 tp -59.3 -43.92 92.57 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.182 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.05 -48.88 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.531 ' HE1' ' HA ' ' A' ' 74' ' ' MET . 3.3 mmt -58.05 -39.31 78.13 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.907 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 79' ' ' VAL . 68.8 t60 -65.31 -41.48 94.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 87.3 mt -69.3 -38.19 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 73' ' ' ALA . 32.0 mm -58.45 -46.52 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.94 -42.84 99.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.913 0.387 . . . . 0.0 110.597 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' HIS . 75.7 t -61.86 -48.97 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.855 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.1 98.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.539 ' HG2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.42 -36.09 77.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 177.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -72.74 -18.57 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.3 27.86 10.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.256 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 79.4 mt-30 -103.34 144.39 28.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.6 Cg_exo -69.43 149.88 69.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.993 2.462 . . . . 0.0 113.024 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -102.94 146.92 33.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.846 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.86 154.41 30.0 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.443 2.096 . . . . 0.0 112.319 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.41 -27.41 16.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.412 2.074 . . . . 0.0 111.765 176.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.22 147.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.566 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 16.8 tp -92.38 141.56 24.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.1 Cg_exo -77.11 153.43 32.09 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.741 2.294 . . . . 0.0 111.784 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.15 -33.89 94.69 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.886 2.391 . . . . 0.0 112.483 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.85 -28.0 69.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.631 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -90.2 -4.39 57.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.444 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 48.6 mt -85.2 126.44 67.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 39.9 Cg_exo -57.22 153.19 41.1 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.931 2.421 . . . . 0.0 112.913 -176.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.21 157.41 35.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.823 2.349 . . . . 0.0 111.91 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m 71.74 -54.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.163 0.585 . . . . 0.0 111.269 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -71.75 -26.21 62.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.258 176.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.9 t90 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.92 13.88 0.34 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.0 p -117.01 126.76 27.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 53.4 Cg_exo -53.98 143.46 61.13 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.106 2.537 . . . . 0.0 112.961 -176.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.537 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.9 pt20 -66.51 -29.76 69.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.534 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -64.07 -43.15 96.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.2 . . . . 0.0 110.862 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 p -72.03 -32.77 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.819 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 78.9 mtp180 -61.0 -45.54 94.42 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.258 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 82.1 mt -58.63 -40.85 84.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.394 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.39 -49.21 74.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.588 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.533 ' HB2' HG12 ' A' ' 71' ' ' ILE . 20.6 m-85 -79.0 -20.38 49.23 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.522 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -66.21 -29.31 69.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 170.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.5 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.316 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 22' ' ' SER . 10.6 tp -156.76 40.53 0.34 Allowed 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.15 -172.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -37.01 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 59.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.537 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 27.6 t-20 -47.01 -45.92 21.51 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -153.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.492 ' HB2' HD13 ' A' ' 19' ' ' LEU . 25.4 m -59.89 -24.79 64.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 118.196 0.453 . . . . 0.0 111.758 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -93.19 -15.64 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.0 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.382 0.611 . . . . 0.0 110.943 -176.684 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.57 ' HB3' HG21 ' A' ' 66' ' ' THR . 9.0 p-80 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.33 163.43 12.54 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.338 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -98.68 169.57 9.39 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.709 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -50.83 -65.83 2.81 Favored Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.63 0.581 . . . . 0.0 113.593 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 -39.96 88.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.912 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.49 -42.67 74.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.953 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.513 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -62.8 -45.41 92.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.009 0.433 . . . . 0.0 110.483 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -61.59 -29.95 70.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.914 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.9 m -61.5 -42.87 99.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.566 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.34 -40.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 86.5 mt -58.48 -36.43 73.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.169 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ttt -64.65 -21.87 66.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.594 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -76.03 3.44 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.748 0.309 . . . . 0.0 111.572 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 p -93.76 -11.59 31.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.289 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 m 63.35 23.84 13.94 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.436 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.9 149.8 60.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.12 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.93 146.92 96.96 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.914 2.409 . . . . 0.0 111.829 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -58.84 -33.95 71.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.938 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.88 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.081 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.54 -36.78 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.58 -44.62 96.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.015 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.69 87.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.394 . . . . 0.0 110.514 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 m -62.76 -49.56 74.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.797 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.508 HD11 HD12 ' A' ' 77' ' ' ILE . 88.3 mt -61.87 -42.04 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 178.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 51.9 t-105 -55.93 -54.08 49.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -66.47 -30.35 70.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.328 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -73.12 -28.37 62.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -93.69 -54.49 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.219 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 62' ' ' ASP . 8.5 t70 -63.21 117.48 6.63 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.45 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.72 -67.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.258 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.73 17.82 2.16 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 111.69 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.504 HE22 ' HG3' ' A' ' 69' ' ' GLU . 41.2 mt-30 -95.88 -42.53 8.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.693 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.457 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 19.8 t70 57.02 23.47 8.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.641 177.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.96 22.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.971 -1.109 . . . . 0.0 114.072 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -149.3 133.3 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.394 0.597 . . . . 0.0 109.771 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.513 HD13 ' HB1' ' A' ' 36' ' ' ALA . 13.7 mt -118.7 115.3 24.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.749 0.309 . . . . 0.0 110.227 175.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 30' ' ' HIS . 69.3 p -88.32 -169.11 2.43 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.89 90.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.72 0.295 . . . . 0.0 110.514 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -65.42 -43.88 89.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.325 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.504 ' HG3' HE22 ' A' ' 61' ' ' GLN . 5.1 mm-40 -73.0 -43.04 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.616 -173.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.477 ' CE2' ' HG3' ' A' ' 74' ' ' MET . 58.1 t80 -60.07 -45.01 94.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.966 -176.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.533 HG12 ' HB2' ' A' ' 16' ' ' TYR . 74.3 mt -62.32 -40.48 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.745 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.6 -53.14 52.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.505 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.38 70.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.764 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.477 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 95.5 mmm -66.16 -27.95 68.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -175.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -71.07 -34.33 71.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.44 HD13 HG21 ' A' ' 53' ' ' ILE . 95.5 mt -69.12 -35.49 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.801 175.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.508 HD12 HD11 ' A' ' 53' ' ' ILE . 1.4 mp -57.68 -42.69 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.462 175.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.8 -48.47 81.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.686 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.431 HG13 ' HB2' ' A' ' 84' ' ' GLN . 52.5 t -62.71 -46.4 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.46 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -64.63 -20.38 66.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.069 0.461 . . . . 0.0 111.055 177.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 t -87.28 5.75 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.25 26.71 69.77 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.335 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.431 ' HB2' HG13 ' A' ' 79' ' ' VAL . 28.1 mm-40 -89.87 144.05 31.01 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.585 0.231 . . . . 0.0 110.553 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.4 Cg_exo -73.22 138.41 27.67 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.961 2.441 . . . . 0.0 111.842 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 94.8 mt -91.76 143.94 28.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.291 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.4 Cg_exo -75.44 154.31 40.35 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.01 2.474 . . . . 0.0 112.084 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.41 -37.14 74.07 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.4 m -136.25 142.36 38.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.898 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -82.74 142.37 45.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.66 152.92 69.93 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.18 1.92 . . . . 0.0 111.842 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.37 -19.13 65.19 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.08 2.52 . . . . 0.0 112.924 -177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.93 -24.74 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -94.48 -14.54 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 124.95 80.05 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 152.8 40.41 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.584 2.189 . . . . 0.0 112.686 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 99' ' ' PHE . 31.8 Cg_exo -59.05 143.73 99.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.874 2.382 . . . . 0.0 111.897 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.8 m 73.51 -22.56 0.23 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.268 0.627 . . . . 0.0 111.994 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 97' ' ' PRO . 95.9 m-85 -95.25 5.73 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 110.051 175.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.685 -179.287 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.88 49.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -171.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.622 HG12 ' HD3' ' A' ' 13' ' ' ARG . 7.6 p -140.13 130.79 14.04 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.724 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.541 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.1 Cg_endo -50.04 129.41 24.88 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.477 2.785 . . . . 0.0 113.197 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.6 -39.94 74.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.521 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -55.48 -45.43 76.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -70.96 -34.04 71.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.622 ' HD3' HG12 ' A' ' 8' ' ' VAL . 20.1 mtm180 -62.6 -47.02 85.64 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -51.21 63.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -59.41 -41.78 90.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.19 -175.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.598 ' HD1' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -98.45 -2.0 40.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HB2' HD11 ' A' ' 71' ' ' ILE . 22.6 ttt180 -77.82 -27.74 50.09 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 162.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.56 -12.43 60.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 113.91 -1.495 . . . . 0.0 111.962 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 22' ' ' SER . 14.1 tp -158.67 44.68 0.28 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.686 -174.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -37.21 -80.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 58.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -47.26 -47.82 24.8 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -154.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.515 ' HB3' HD12 ' A' ' 19' ' ' LEU . 38.8 t -61.75 -23.23 66.03 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.035 -0.416 . . . . 0.0 111.995 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -92.73 1.65 57.16 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.515 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.51 ' HB3' HG23 ' A' ' 66' ' ' THR . 23.0 p-80 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -106.05 147.51 28.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.7 p -97.34 179.02 5.03 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.53 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -44.62 -64.82 1.95 Allowed Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.751 0.657 . . . . 0.0 113.598 -178.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.95 -47.52 22.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.553 2.169 . . . . 0.0 113.174 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.17 -44.39 92.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' HD12 ' A' ' 65' ' ' LEU . . . -64.63 -44.17 91.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.446 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -62.26 -30.42 71.1 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.527 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.1 m -61.04 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.743 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.16 -36.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.168 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.0 mt -59.58 -37.35 78.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.333 0.587 . . . . 0.0 110.64 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.73 -26.52 67.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.219 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.49 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.1 mm-40 -77.85 -9.27 58.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.0 t -75.29 -14.85 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.344 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m 69.85 21.3 6.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.325 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.99 149.61 40.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.448 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 51.7 Cg_endo -70.37 158.87 54.84 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.499 2.132 . . . . 0.0 112.221 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.46 -33.22 73.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.62 72.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.948 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.9 mm100 -73.49 -42.84 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.419 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 40' ' ' LEU . 77.5 mt -59.43 -41.57 89.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.682 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.83 92.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.935 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.8 t -63.15 -45.29 92.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.967 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.9 -45.7 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.744 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.53 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 52.0 t-105 -59.16 -50.3 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.722 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -36.18 76.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.194 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 mt -74.18 -38.88 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.819 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.3 t -74.54 -54.53 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.856 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -61.76 120.31 10.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.12 -35.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.922 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.38 -5.59 10.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.916 0.389 . . . . 0.0 111.452 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 67.56 32.77 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.524 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.57 -34.13 53.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.786 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.02 32.89 3.15 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -136.02 148.73 48.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 110.488 177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 36' ' ' ALA . 26.7 mt -131.57 105.94 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.389 172.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.51 HG23 ' HB3' ' A' ' 30' ' ' HIS . 45.0 p -73.13 -177.36 2.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB1' ' HG3' ' A' ' 17' ' ' ARG . . . -56.35 -52.83 63.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 111.46 -177.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.525 ' HA ' HD13 ' A' ' 71' ' ' ILE . 45.8 mt-10 -69.22 -28.06 66.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.96 -177.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.16 -36.37 64.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 0.0 109.826 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.598 ' HE1' ' HD1' ' A' ' 16' ' ' TYR . 47.0 t80 -59.03 -40.69 85.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.869 174.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 68' ' ' GLU . 72.2 mt -60.12 -46.09 94.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.446 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.84 -47.18 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.721 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.92 87.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.018 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.9 mmt -64.84 -32.89 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.423 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' VAL . 84.1 t60 -66.25 -37.79 86.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.71 -38.47 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.142 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.13 -44.63 98.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.77 -44.61 86.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.988 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 75' ' ' HIS . 73.4 t -62.52 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.662 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.07 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.389 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -35.2 78.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.34 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -84.68 10.43 11.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.083 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.01 77.75 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.152 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.413 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . 28.0 mm-40 -92.65 144.43 28.66 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 146.21 37.98 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 113.269 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.92 143.34 26.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.004 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.7 Cg_endo -79.76 155.93 24.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.797 2.332 . . . . 0.0 112.742 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -75.35 -33.51 4.2 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.763 2.308 . . . . 0.0 111.062 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 t -124.36 149.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 17.8 tp -101.53 139.94 20.82 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.49 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.1 Cg_exo -79.54 152.95 23.34 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.706 2.271 . . . . 0.0 111.535 176.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.53 -29.24 77.79 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.313 2.675 . . . . 0.0 113.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.876 0.369 . . . . 0.0 110.818 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.86 -14.74 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 91' ' ' PRO . 59.9 mt -77.17 128.08 81.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 45.3 Cg_exo -56.86 152.59 41.98 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.39 2.06 . . . . 0.0 111.969 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 13.5 Cg_exo -69.41 158.66 56.61 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.873 2.382 . . . . 0.0 112.076 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m 73.02 -54.32 0.7 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.781 0.675 . . . . 0.0 111.921 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -60.2 -15.39 23.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.636 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.541 -177.782 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t90 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -59.81 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -168.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.11 120.9 65.55 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.641 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.22 134.49 44.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.014 2.476 . . . . 0.0 112.611 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 15.3 pt20 -51.58 -47.79 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.274 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -59.69 -43.6 93.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.777 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 17.3 m -70.54 -41.42 72.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptt180 -72.96 -30.83 64.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.169 -174.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -66.39 -36.18 82.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 110.278 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 12' ' ' SER . 80.9 tttt -60.22 -47.08 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.03 175.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.433 ' HD2' HG22 ' A' ' 71' ' ' ILE . 5.3 m-85 -74.79 -27.9 60.5 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.176 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -65.07 -27.32 68.69 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -78.55 -13.22 59.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.266 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 22' ' ' SER . 8.5 tp -153.82 38.58 0.47 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.79 -173.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.442 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 19.4 t80 -34.77 -79.33 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 61.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 2.1 t-20 -47.24 -47.76 24.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -154.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.566 ' HB3' HD13 ' A' ' 19' ' ' LEU . 24.1 t -64.28 -24.43 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -92.0 -11.49 35.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.691 0.281 . . . . 0.0 110.964 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.075 0.464 . . . . 0.0 110.396 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.555 ' HB3' HG23 ' A' ' 66' ' ' THR . 17.8 p-80 . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 120.718 0.294 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 85.3 mt -97.22 146.4 25.14 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -73.83 165.63 24.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.697 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.61 -62.9 3.75 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.521 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.32 -46.45 31.29 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.903 2.402 . . . . 0.0 112.803 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.64 -52.35 66.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.506 ' HB2' HD13 ' A' ' 65' ' ' LEU . . . -56.82 -47.22 80.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.821 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 41' ' ' MET . 23.9 mtm180 -67.92 -37.28 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.891 -177.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.52 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 89.8 m -62.11 -41.35 98.13 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.04 -38.42 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.266 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 58.6 mt -60.31 -43.73 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 93.6 mmm -61.12 -24.41 66.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.487 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 38' ' ' THR . 15.3 mm-40 -70.08 -10.25 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.712 -176.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -77.01 -16.3 59.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 110.214 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m 68.22 13.3 9.04 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.064 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.91 148.14 63.83 Favored Pre-proline 0 N--CA 1.454 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.127 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.501 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 31.8 Cg_endo -65.62 156.04 65.88 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.688 2.259 . . . . 0.0 112.761 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -30.77 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.114 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.501 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.7 mm100 -73.72 -45.0 54.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.02 177.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.96 -45.24 90.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.791 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.65 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.28 -47.31 77.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.483 HG22 HD11 ' A' ' 76' ' ' LEU . 87.3 mt -62.84 -42.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -60.27 -50.19 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.6 -33.89 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.195 0.522 . . . . 0.0 110.538 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.3 -37.93 66.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.375 176.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.5 ' HA ' HD22 ' A' ' 72' ' ' LEU . 23.0 t -79.26 -42.76 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.882 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -81.98 99.31 9.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 99' ' ' PHE . 4.2 mp -74.88 -26.19 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.501 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -117.56 5.6 12.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 46.72 45.76 14.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.317 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.72 -19.83 30.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.58 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.33 17.83 58.25 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.722 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -137.27 151.62 48.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 36' ' ' ALA . 24.9 mt -122.87 109.33 14.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.623 0.249 . . . . 0.0 110.88 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 30' ' ' HIS . 45.3 p -71.35 -174.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.77 -53.7 54.95 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.783 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.14 -36.82 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.444 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -72.01 -43.51 64.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.945 0.403 . . . . 0.0 110.216 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.626 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 52.7 t80 -63.81 -37.18 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 67' ' ' ALA . 58.3 mt -55.82 -45.93 79.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.617 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 57' ' ' SER . 65.4 tp -61.57 -48.08 82.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.876 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.72 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.626 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 2.0 mmt -63.28 -33.13 74.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.348 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.435 ' O ' HG21 ' A' ' 79' ' ' VAL . 74.6 t60 -69.14 -39.89 78.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.114 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.483 HD11 HG22 ' A' ' 53' ' ' ILE . 99.1 mt -64.07 -36.19 83.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.164 176.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -60.66 -50.8 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.41 -43.84 84.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.919 0.39 . . . . 0.0 110.582 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 75' ' ' HIS . 95.9 t -63.05 -47.98 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.126 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.53 ' HB3' HD23 ' A' ' 86' ' ' LEU . . . -66.08 -27.87 68.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 111.072 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.4 mmm -67.86 -23.33 65.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.267 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -87.48 -0.27 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.195 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.4 7.69 63.32 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.031 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -75.92 144.02 75.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.731 0.265 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.1 Cg_exo -74.17 133.9 18.56 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.682 2.255 . . . . 0.0 112.066 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 80' ' ' ALA . 91.9 mt -81.43 143.41 51.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.8 Cg_endo -82.8 154.03 15.17 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.527 2.151 . . . . 0.0 112.258 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.7 Cg_exo -75.19 -30.54 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.99 151.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.002 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.1 tp -99.28 142.25 24.28 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.87 153.3 53.04 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.596 2.197 . . . . 0.0 111.784 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.479 ' HA ' HD13 ' A' ' 95' ' ' ILE . 27.6 Cg_exo -62.52 -27.4 76.77 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.046 2.497 . . . . 0.0 113.059 -175.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 42.5 mp0 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.24 -4.72 51.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.164 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 92' ' ' PRO . 69.4 mt -86.38 125.68 66.93 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.58 154.54 64.28 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.887 2.391 . . . . 0.0 112.088 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 99' ' ' PHE . 24.3 Cg_endo -62.15 157.5 44.3 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.693 2.262 . . . . 0.0 112.124 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 m 75.01 -27.83 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.573 0.749 . . . . 0.0 111.654 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.513 ' HB3' HG23 ' A' ' 59' ' ' ILE . 94.9 m-85 -91.24 -0.52 57.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.241 175.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.952 -179.594 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.417 ' C ' ' H ' ' A' ' 8' ' ' VAL . 2.1 t90 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.14 29.69 0.09 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.417 ' H ' ' C ' ' A' ' 6' ' ' TRP . 4.5 p -122.57 132.53 24.25 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.419 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 50.7 Cg_exo -53.76 146.96 42.66 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.998 2.465 . . . . 0.0 112.473 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 48.7 tt0 -62.54 -42.7 99.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -59.66 -38.02 80.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 110.193 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.87 -38.6 70.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.589 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 28.9 mtp180 -55.3 -50.83 68.56 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.64 -39.61 91.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.188 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.98 -48.0 83.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.118 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.532 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.01 -25.48 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.221 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -69.72 -24.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.8 mt-30 -72.35 -14.01 61.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.814 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.574 ' O ' ' HE2' ' A' ' 70' ' ' PHE . 8.4 tp -155.46 43.79 0.45 Allowed 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.288 -170.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.517 ' CZ ' ' HG ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -40.19 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 120.507 3.521 . . . . 0.0 120.507 58.483 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.2 t-20 -46.47 -36.68 6.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -150.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 19' ' ' LEU . 46.2 m -57.99 -24.28 57.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.006 0.821 . . . . 0.0 111.787 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -102.43 -12.64 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.444 ' HB2' ' HD2' ' A' ' 20' ' ' PHE . 23.8 t70 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.697 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.569 ' HB3' HG21 ' A' ' 66' ' ' THR . 4.1 p-80 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.813 0.339 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.517 ' HG ' ' CZ ' ' A' ' 20' ' ' PHE . 91.7 mt -103.53 160.72 14.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.88 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -86.32 174.52 8.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.767 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.82 -64.13 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.39 -41.59 71.83 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.762 2.308 . . . . 0.0 112.789 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -55.62 -53.54 55.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 65' ' ' LEU . . . -59.83 -50.49 73.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.779 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -62.91 -34.73 78.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.5 m -66.02 -47.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.627 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.04 -38.25 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.167 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 57.8 mt -55.43 -45.7 76.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.306 177.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.02 -28.16 62.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.454 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 38' ' ' THR . 74.0 mt-30 -80.07 7.57 8.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.7 m -80.4 -86.22 0.08 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.89 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -175.46 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.119 0.568 . . . . 0.0 111.231 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -105.97 145.7 31.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.131 -0.356 . . . . 0.0 111.738 -169.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 83.8 Cg_endo -79.07 171.02 16.98 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.93 2.42 . . . . 0.0 112.349 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.55 -31.53 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.795 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.39 80.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -72.8 -39.23 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.48 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 79.4 mt -58.57 -41.04 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.09 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.001 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -67.89 -42.73 80.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 HD11 HD11 ' A' ' 77' ' ' ILE . 82.8 mt -66.07 -42.65 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.747 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.9 -47.88 82.98 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -52.16 -41.64 62.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.315 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.5 mt -73.89 -41.53 62.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.939 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -77.72 -36.57 50.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.35 85.14 2.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.256 0.551 . . . . 0.0 109.554 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 99' ' ' PHE . 36.9 mm -72.28 -45.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.952 -172.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.17 11.35 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.003 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 43.99 38.17 2.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.969 0.908 . . . . 0.0 112.05 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -110.93 -7.95 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.307 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.31 27.5 55.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.845 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -137.09 127.3 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 36' ' ' ALA . 20.0 mt -101.74 113.11 26.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 -177.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.569 HG21 ' HB3' ' A' ' 30' ' ' HIS . 67.7 p -75.02 176.1 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.781 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.27 -53.28 55.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.607 0.241 . . . . 0.0 111.395 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.59 -35.8 78.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.66 -43.14 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.235 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HE2' ' O ' ' A' ' 19' ' ' LEU . 65.2 t80 -64.54 -39.57 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.559 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.532 HG21 ' HB2' ' A' ' 16' ' ' TYR . 89.7 mt -60.34 -43.08 92.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.061 0.457 . . . . 0.0 110.111 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 90' ' ' LEU . 63.8 tp -61.54 -46.46 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.257 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.06 -47.83 81.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.332 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.545 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 30.8 mmt -59.18 -37.6 77.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.909 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' HG21 ' A' ' 79' ' ' VAL . 80.3 t60 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.329 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.04 -36.07 83.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 81' ' ' MET . 27.3 mm -56.52 -51.07 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.726 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.06 -38.37 90.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 75' ' ' HIS . 91.9 t -63.03 -49.41 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.649 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.846 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.499 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.53 -28.68 69.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.465 175.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -79.86 -11.38 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.177 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.95 6.65 55.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.774 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -82.92 143.58 46.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.591 0.234 . . . . 0.0 110.758 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.33 150.1 22.21 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.474 2.116 . . . . 0.0 112.248 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 77.2 mt -110.54 143.45 28.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.472 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.5 Cg_exo -75.63 154.48 39.6 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.043 2.495 . . . . 0.0 112.134 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.21 -29.91 21.02 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 111.597 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.4 136.82 54.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.536 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CD2' HD23 ' A' ' 72' ' ' LEU . 22.0 tp -92.8 141.2 24.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.515 ' O ' HG13 ' A' ' 95' ' ' ILE . 25.6 Cg_exo -65.53 152.66 81.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.451 2.101 . . . . 0.0 111.951 174.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 17.2 Cg_exo -67.49 -22.84 44.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.874 2.382 . . . . 0.0 112.773 -175.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.92 -14.56 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.89 -19.87 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 91' ' ' PRO . 37.6 mt -83.26 123.81 76.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.061 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.68 153.17 63.9 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.296 1.998 . . . . 0.0 111.905 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.55 152.86 75.17 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.91 2.407 . . . . 0.0 112.094 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 m 73.3 -40.84 0.48 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 123.918 0.761 . . . . 0.0 111.742 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.527 ' HB3' HG21 ' A' ' 59' ' ' ILE . 88.5 m-85 -67.04 -19.38 65.67 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 110.831 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.095 176.523 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 t90 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.12 4.82 11.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.16 125.55 74.36 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.29 149.34 37.57 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.677 2.251 . . . . 0.0 112.75 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.71 -37.15 83.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.167 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -63.91 -42.69 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.527 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -62.78 -44.47 96.1 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.71 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -54.26 -54.23 42.86 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.41 -37.35 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.536 0.522 . . . . 0.0 111.591 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -49.44 76.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.039 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.07 -15.92 27.12 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.192 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 17' ' ' ARG . 23.6 ttt85 -68.84 -25.64 64.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -73.44 -14.8 61.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.27 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 22' ' ' SER . 10.4 tp -156.85 40.13 0.33 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.354 -169.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.94 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 119.423 3.12 . . . . 0.0 119.423 60.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.08 -42.64 29.3 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.484 ' HB2' HD13 ' A' ' 19' ' ' LEU . 28.3 m -61.67 -30.95 71.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.379 0.536 . . . . 0.0 111.662 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -89.64 -26.67 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.052 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.283 0.563 . . . . 0.0 111.122 -176.69 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.556 ' HB3' HG21 ' A' ' 66' ' ' THR . 7.1 p-80 . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.891 0.853 . . . . 0.0 112.836 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -106.88 160.27 15.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.69 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.6 p -87.37 168.91 12.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.107 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.92 -63.63 4.62 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.132 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.75 -45.75 30.46 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.8 2.333 . . . . 0.0 113.054 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.77 -48.4 80.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 110.833 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -57.8 -48.35 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.673 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 41' ' ' MET . 87.0 mtt180 -64.18 -36.35 83.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.541 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.4 m -63.42 -45.92 88.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.37 -33.68 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.276 0.56 . . . . 0.0 110.06 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 59.1 mt -59.08 -41.55 88.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.062 175.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 67.7 mtt -66.71 -21.42 66.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.832 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.54 -14.8 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.439 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.3 p -85.71 -15.77 41.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.381 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 64.98 16.6 10.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.472 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.38 151.92 87.73 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.888 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.8 142.21 83.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.056 2.504 . . . . 0.0 112.257 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -32.01 68.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.621 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.12 71.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.9 mm100 -59.83 -47.0 87.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.308 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.43 -41.98 86.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.538 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.68 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.855 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.94 -44.29 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.822 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.726 HD12 HD12 ' A' ' 77' ' ' ILE . 95.7 mt -61.27 -46.07 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.836 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -60.25 -49.69 76.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.41 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.05 -36.38 72.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.714 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 90' ' ' LEU . 55.5 mt -74.22 -39.08 63.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.862 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -77.43 -39.66 46.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.754 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.744 ' OD2' ' HA ' ' A' ' 61' ' ' GLN . 16.6 t70 -68.75 103.26 1.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.52 -65.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.788 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -113.22 21.25 15.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.324 0.583 . . . . 0.0 110.963 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.744 ' HA ' ' OD2' ' A' ' 58' ' ' ASP . 69.8 mt-30 68.39 85.9 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.382 177.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -133.42 -26.93 1.6 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.233 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.44 24.87 66.96 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.936 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -138.03 128.68 26.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 mt -94.6 115.29 27.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.896 0.379 . . . . 0.0 110.991 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 30' ' ' HIS . 81.5 p -76.29 -170.32 1.43 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.069 173.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.44 -53.45 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.15 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -34.46 78.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.59 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.41 -41.1 63.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.936 0.398 . . . . 0.0 110.091 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.65 -40.96 98.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.472 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.15 -44.43 91.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.08 -49.57 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.698 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.97 51.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.942 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.432 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 11.9 mtp -68.85 -19.85 64.27 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.68 -177.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.52 -38.09 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.459 HD13 HG23 ' A' ' 53' ' ' ILE . 97.6 mt -64.53 -41.66 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.595 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.726 HD12 HD12 ' A' ' 53' ' ' ILE . 1.6 mp -59.9 -44.06 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 173.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.69 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.79 -44.67 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.797 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.523 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -59.92 -17.56 38.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.246 176.009 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 m -84.5 -1.81 56.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.405 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.82 -7.6 59.24 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.279 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -92.74 144.32 28.42 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-O 120.727 0.298 . . . . 0.0 111.308 -177.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 6.4 Cg_exo -74.85 174.53 12.58 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.103 2.535 . . . . 0.0 112.525 178.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.6 mt -120.55 154.58 56.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.916 -176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.76 153.88 64.6 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.138 2.559 . . . . 0.0 112.488 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.87 -31.81 23.98 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.684 2.256 . . . . 0.0 112.407 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.08 152.04 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.76 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HB2' HD22 ' A' ' 56' ' ' LEU . 19.2 tp -83.71 140.78 41.04 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.4 Cg_exo -76.73 154.81 34.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.765 2.31 . . . . 0.0 112.136 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.86 -21.3 71.97 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.91 2.407 . . . . 0.0 112.749 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.18 -15.05 61.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -108.75 10.45 26.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.275 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 100' ' ' ARG . 47.2 mt -89.25 117.77 68.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.83 151.34 84.67 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.586 2.19 . . . . 0.0 112.492 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.95 -36.09 32.09 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 111.561 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.0 m -73.24 0.77 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.73 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.07 -36.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.588 ' HB3' HG23 ' A' ' 95' ' ' ILE . 12.4 ptm180 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.66 0.267 . . . . 0.0 110.929 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.405 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 20.2 t90 . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.46 65.68 7.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.63 124.55 24.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.119 167.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.6 135.82 48.75 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 112.393 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.546 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 7.0 tt0 -56.37 -48.67 76.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -176.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -60.26 -35.42 75.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -75.19 -45.89 37.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.2 ptm180 -67.35 -31.73 72.17 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 -175.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.7 -39.33 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.04 -39.53 90.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.491 ' HD2' HG21 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.952 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.523 ' HB2' HD12 ' A' ' 71' ' ' ILE . 20.6 ttt180 -63.78 -24.36 67.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.526 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 5.0 mt-30 -72.42 -14.08 61.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.024 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 22' ' ' SER . 12.6 tp -155.61 38.46 0.38 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.292 -172.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -35.62 -81.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 119.738 3.236 . . . . 0.0 119.738 61.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 26.5 t-20 -47.44 -40.9 19.18 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -154.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.529 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.1 m -61.42 -23.35 65.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.389 0.54 . . . . 0.0 111.757 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -94.8 -2.75 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.087 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.852 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.529 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.2 p-80 . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 122.473 1.13 . . . . 0.0 113.914 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.7 145.12 37.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.491 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 p -85.47 166.29 16.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.336 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.55 -63.22 2.85 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.694 -0.684 . . . . 0.0 113.686 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.38 -47.43 22.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.724 2.282 . . . . 0.0 113.031 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.56 -46.8 88.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.026 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -58.21 -47.61 82.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 177.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.501 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.1 m -61.84 -40.63 95.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.44 -34.6 36.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.413 . . . . 0.0 110.434 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 71.9 mt -60.13 -40.35 89.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.674 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.18 -18.83 64.86 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.874 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -69.83 -12.23 61.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.262 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.2 p -75.41 -21.06 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t 67.63 16.23 9.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -85.93 156.83 57.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.52 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.74 147.87 94.34 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.853 2.369 . . . . 0.0 112.681 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -58.0 -31.04 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.974 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.619 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -73.5 -42.3 62.01 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.096 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.98 -47.79 83.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.379 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.67 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -63.85 -40.84 97.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.17 -43.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.174 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -59.21 -49.59 77.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.119 0.485 . . . . 0.0 110.361 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.19 -35.87 74.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.904 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.7 mt -75.14 -30.87 60.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.737 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -68.32 -50.99 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.597 -173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -92.77 119.46 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.201 0.524 . . . . 0.0 109.858 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.45 HD11 ' N ' ' A' ' 59' ' ' ILE . 3.4 mp -71.88 -34.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.251 -175.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -108.87 -13.53 14.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.58 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 66.28 54.31 0.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.151 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -89.93 -22.88 21.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.27 1.83 44.51 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.474 -0.87 . . . . 0.0 114.21 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 8.9 mptt -117.84 138.05 52.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.702 0.751 . . . . 0.0 110.22 178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 69' ' ' GLU . 18.8 mt -112.23 106.69 15.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.213 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 30' ' ' HIS . 17.5 p -83.77 -163.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.33 -53.18 61.24 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.04 -38.86 92.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.575 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.507 ' HB3' HD21 ' A' ' 65' ' ' LEU . 2.0 mp0 -73.45 -41.91 62.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.961 0.41 . . . . 0.0 110.478 -175.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 56.9 t80 -68.91 -39.88 79.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.742 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.523 HD12 ' HB2' ' A' ' 17' ' ' ARG . 61.5 mt -58.92 -38.61 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.431 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.2 tp -61.13 -50.63 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.277 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.18 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -60.11 -38.15 82.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -69.79 -34.67 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.202 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -67.94 -39.82 83.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.5 mm -58.82 -44.43 90.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.195 174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.73 -41.29 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.028 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.58 -43.73 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.978 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.46 76.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -26.22 63.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 111.257 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.437 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 22.8 t -75.46 -13.21 60.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.688 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.69 21.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.532 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 14.4 mm100 -93.79 144.51 28.28 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 120.606 0.241 . . . . 0.0 110.783 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.7 Cg_exo -69.21 151.75 72.19 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.985 2.457 . . . . 0.0 112.152 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.4 mt -94.85 144.33 27.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.082 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 8.3 Cg_exo -72.37 153.68 55.86 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.67 2.246 . . . . 0.0 111.965 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.86 -39.09 15.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.697 2.265 . . . . 0.0 111.77 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.83 157.47 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.526 176.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.17 140.81 49.5 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.17 153.71 28.39 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.535 2.157 . . . . 0.0 111.959 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.5 ' HA ' HD11 ' A' ' 95' ' ' ILE . 51.9 Cg_exo -57.19 -28.08 77.67 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.989 2.459 . . . . 0.0 112.286 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.18 -40.94 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.936 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -95.77 13.28 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.437 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 92' ' ' PRO . 68.2 mt -86.61 113.18 51.53 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 8.1 Cg_exo -72.5 155.88 54.65 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.138 2.559 . . . . 0.0 112.547 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 99' ' ' PHE . 32.5 Cg_exo -58.92 159.86 20.08 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 0.0 111.84 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 m 71.71 -14.14 0.52 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.162 0.585 . . . . 0.0 111.63 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.446 ' H ' ' C ' ' A' ' 97' ' ' PRO . 87.3 m-85 -123.07 18.08 10.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.512 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.395 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.58 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 7.0 t90 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.335 0.588 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.87 59.08 2.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.208 -168.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.615 170.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.68 137.63 20.56 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.081 2.521 . . . . 0.0 112.993 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.19 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.041 -175.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 p -62.19 -39.79 93.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.951 0.405 . . . . 0.0 110.311 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m -69.98 -41.9 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.929 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -55.75 -53.0 62.0 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.614 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.34 -45.79 83.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.727 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.67 -46.92 70.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.54 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.55 -6.99 59.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.203 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -75.91 -37.24 58.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -77.18 -14.41 59.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 22' ' ' SER . 6.4 tp -157.01 44.26 0.37 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.538 -170.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.67 ' CE2' ' HG ' ' A' ' 31' ' ' LEU . 8.0 t80 -39.32 -88.33 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 58.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HA ' ' HD1' ' A' ' 20' ' ' PHE . 1.3 t-20 -51.67 -37.11 49.1 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -149.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 19' ' ' LEU . 20.3 t -63.35 -23.57 67.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.527 0.603 . . . . 0.0 110.995 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -73.35 -9.89 59.17 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.285 . . . . 0.0 110.92 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.258 -178.479 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' HB3' HG21 ' A' ' 66' ' ' THR . 5.4 p-80 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.56 0.695 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.67 ' HG ' ' CE2' ' A' ' 20' ' ' PHE . 79.9 mt -110.04 160.74 16.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.68 172.33 8.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.34 3.63 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.017 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -52.86 -47.38 27.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.12 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.329 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HB2' HD11 ' A' ' 65' ' ' LEU . . . -58.46 -47.26 84.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.512 . . . . 0.0 111.0 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -68.26 -28.61 67.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.972 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 93.8 m -64.73 -45.04 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 0.0 110.21 176.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.49 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.191 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.4 mt -59.75 -40.45 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.93 -23.36 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.358 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -66.66 -17.63 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 111.477 -177.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -79.17 -8.12 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.52 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 m 60.05 27.11 16.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.85 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.71 150.17 72.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.36 143.92 41.92 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.778 2.319 . . . . 0.0 112.007 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.94 -38.06 72.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.31 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.269 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.73 -42.25 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.366 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.95 -44.18 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.376 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.09 96.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 t -65.68 -48.56 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.236 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 77' ' ' ILE . 91.1 mt -59.03 -46.06 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.691 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -58.39 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.368 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.1 -33.59 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.932 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.51 -38.3 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.136 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -91.1 -1.07 57.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.31 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.1 96.27 8.0 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 59' ' ' ILE . 4.1 mp -96.46 -41.76 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.473 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.89 -18.78 46.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.697 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 65.5 24.45 11.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.421 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.28 -14.22 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.5 32.73 21.5 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.821 175.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.73 131.77 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 69' ' ' GLU . 21.8 mt -103.34 117.7 35.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.94 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.55 HG21 ' HB3' ' A' ' 30' ' ' HIS . 41.3 p -72.31 -172.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.566 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.97 -47.94 72.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.959 0.409 . . . . 0.0 110.23 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.48 -43.21 93.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.919 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 65' ' ' LEU . 36.7 mt-10 -69.22 -33.79 73.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.44 -47.41 84.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 67' ' ' ALA . 71.8 mt -59.57 -45.5 93.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.346 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.17 -48.47 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.25 66.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' A' ' 74' ' ' MET . 35.3 mtp -68.87 -21.23 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.347 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.523 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.2 t60 -68.62 -34.09 75.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.34 -37.76 83.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.116 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 53' ' ' ILE . 1.9 mp -64.64 -42.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.48 -39.47 73.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.78 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' HIS . 88.0 t -67.0 -50.63 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.899 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.01 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.421 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.9 67.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.37 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 t -85.37 -2.38 58.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.346 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.56 9.78 61.11 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.427 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -90.58 146.46 34.34 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.567 0.222 . . . . 0.0 110.874 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -79.67 178.49 7.26 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.242 . . . . 0.0 112.415 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.2 mt -112.38 144.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.1 Cg_exo -80.19 153.37 21.57 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.056 2.504 . . . . 0.0 111.839 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.65 -41.4 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 111.423 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 t -113.82 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.2 tp -108.6 141.74 23.93 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 12.4 Cg_exo -72.42 151.7 53.93 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.225 1.95 . . . . 0.0 112.227 177.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -62.11 -22.67 74.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.339 2.693 . . . . 0.0 113.077 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.2 mp0 -66.59 -19.91 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.6 0.238 . . . . 0.0 111.161 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -95.87 3.37 53.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.2 mt -98.29 120.23 60.02 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 154.4 37.44 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.753 2.302 . . . . 0.0 112.742 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.84 -30.38 85.05 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.448 2.766 . . . . 0.0 112.691 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 m -58.46 -26.07 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.297 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -111.58 25.08 12.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.602 ' HA ' ' NE ' ' A' ' 100' ' ' ARG . 2.3 mmp_? . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.527 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 6.1 t90 . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.75 49.27 0.62 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.158 -168.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.96 125.73 25.78 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 74.6 Cg_exo -52.23 145.65 34.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.261 2.641 . . . . 0.0 113.279 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.45 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.197 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 m -59.74 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.909 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -67.68 -43.48 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.83 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 90.8 mtt180 -55.99 -51.9 66.11 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.564 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.64 -45.95 91.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.748 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -63.05 -45.5 91.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.369 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.56 ' HH ' ' HB2' ' A' ' 78' ' ' ASP . 40.0 m-85 -85.91 -9.34 57.08 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.318 -178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -75.41 -31.85 60.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -78.8 -13.69 59.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.592 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' A' ' 22' ' ' SER . 6.8 tp -156.18 42.6 0.39 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.153 -171.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.39 -85.23 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 57.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -48.2 -31.35 5.66 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -150.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.535 ' HB2' HD11 ' A' ' 19' ' ' LEU . 44.3 m -60.14 -24.56 64.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.991 0.814 . . . . 0.0 110.831 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -102.12 4.52 39.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -176.322 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.558 ' HB3' HG23 ' A' ' 66' ' ' THR . 6.2 p-80 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 122.119 0.962 . . . . 0.0 113.525 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 166.1 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.111 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -88.86 171.04 10.21 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.21 3.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.448 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.52 -42.2 68.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.629 2.219 . . . . 0.0 113.091 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.62 -46.76 84.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.644 0.259 . . . . 0.0 110.716 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -58.23 -48.91 78.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.366 176.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -64.97 -33.78 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.708 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.533 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.3 m -65.56 -42.18 92.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.694 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.58 -42.94 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 110.075 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 54.5 mt -57.81 -42.77 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.788 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 ttp -68.96 -18.17 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.607 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 38' ' ' THR . 82.7 mm-40 -69.74 -6.4 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 111.269 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -72.55 -10.21 59.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m 67.71 20.81 9.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.978 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.47 151.51 56.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' OE1' ' A' ' 49' ' ' GLN . 34.2 Cg_exo -60.05 146.91 94.95 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.637 2.225 . . . . 0.0 111.681 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.1 -27.27 63.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.678 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.11 -51.23 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 53' ' ' ILE . 49.1 mt-30 -68.48 -41.34 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.378 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.01 -42.32 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.66 94.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.49 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.8 t -62.9 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.054 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.602 HD11 HD11 ' A' ' 77' ' ' ILE . 92.9 mt -61.63 -45.1 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -59.69 -49.38 77.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.358 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.06 -35.29 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.723 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 52' ' ' SER . 70.7 mt -73.46 -34.16 65.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.592 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.412 ' HA ' HD22 ' A' ' 72' ' ' LEU . 32.3 t -79.58 -56.26 4.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.023 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -69.98 98.21 1.25 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -50.77 -60.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.792 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.09 11.72 31.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 0.0 110.341 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 58.97 73.19 0.49 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.093 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -96.63 -39.49 9.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.704 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.98 6.72 32.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.904 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -131.54 128.05 38.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.521 HD13 ' HB1' ' A' ' 36' ' ' ALA . 23.0 mt -96.04 116.34 28.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 30' ' ' HIS . 69.6 p -82.06 -170.9 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.51 -41.96 83.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.029 0.443 . . . . 0.0 110.019 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 68' ' ' GLU . 1.7 mp0 -57.94 -46.71 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.385 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.08 -43.5 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.019 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 35.3 t80 -57.48 -46.49 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.182 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 67' ' ' ALA . 75.0 mt -61.2 -42.68 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.992 0.425 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 57' ' ' SER . 62.1 tp -61.43 -50.35 73.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.38 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.84 63.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.557 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 90.8 mmm -65.96 -25.82 67.29 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.421 ' O ' HG21 ' A' ' 79' ' ' VAL . 83.1 t60 -67.06 -34.46 77.72 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.491 HD12 HG23 ' A' ' 53' ' ' ILE . 94.5 mt -70.7 -40.09 73.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.149 176.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.602 HD11 HD11 ' A' ' 53' ' ' ILE . 1.7 mp -58.81 -42.88 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.56 ' HB2' ' HH ' ' A' ' 16' ' ' TYR . 29.8 t70 -57.0 -41.56 78.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.152 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 75' ' ' HIS . 57.7 t -73.51 -51.07 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.956 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.76 -28.79 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.806 -175.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -55.42 -31.14 61.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.77 0.428 . . . . 0.0 111.722 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 t -78.88 -2.67 40.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.922 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.79 23.65 29.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.883 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -86.84 146.76 41.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 122.366 0.266 . . . . 0.0 110.733 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.68 152.37 42.42 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.591 2.194 . . . . 0.0 111.421 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.58 144.03 29.38 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.609 0.243 . . . . 0.0 110.807 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.51 154.85 70.85 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.952 2.435 . . . . 0.0 112.281 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.75 -36.31 11.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.568 2.179 . . . . 0.0 112.231 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.8 m -129.01 166.93 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.77 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.66 141.78 23.33 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.718 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 51.8 Cg_endo -73.06 153.78 52.27 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.025 1.817 . . . . 0.0 112.157 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.09 -33.35 97.26 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 0.0 114.054 -174.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.538 ' OE2' ' HB2' ' A' ' 91' ' ' PRO . 1.3 pm0 -80.22 -13.37 59.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.195 -0.315 . . . . 0.0 111.4 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.718 ' HB2' ' HG2' ' A' ' 91' ' ' PRO . 0.5 OUTLIER -89.75 -9.17 50.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 0.0 110.68 177.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 58.4 mt -78.03 126.52 83.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.841 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 24.4 Cg_exo -63.73 153.88 72.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.716 2.278 . . . . 0.0 112.79 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 99' ' ' PHE . 52.7 Cg_exo -54.35 157.1 12.22 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.266 2.644 . . . . 0.0 112.139 177.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 m 75.59 -35.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.505 0.722 . . . . 0.0 111.16 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.414 ' H ' ' C ' ' A' ' 97' ' ' PRO . 85.1 m-85 -87.29 -16.2 35.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.274 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.853 -177.537 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 2.1 t90 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.249 0.547 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.87 39.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.395 -0.82 . . . . 0.0 113.022 -170.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.78 116.72 26.26 Favored Pre-proline 0 C--N 1.316 -0.851 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 143.28 47.15 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.613 2.209 . . . . 0.0 112.017 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.534 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 28.8 tt0 -57.21 -46.31 83.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -178.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -56.93 -37.54 71.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -71.77 -45.86 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.437 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.534 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 11.3 ptm180 -66.9 -32.31 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.605 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 55.2 mt -62.34 -38.69 90.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.35 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.182 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.463 ' HB2' HG12 ' A' ' 71' ' ' ILE . 10.3 m-85 -81.42 -28.62 34.21 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.588 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 7.3 ttt180 -68.46 -25.62 65.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.444 0.64 . . . . 0.0 109.405 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -76.62 -12.64 60.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.836 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 22' ' ' SER . 7.9 tp -156.09 39.87 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.23 -170.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -36.09 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 119.204 3.038 . . . . 0.0 119.204 60.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.9 t30 -47.78 -45.25 29.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -152.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.502 ' HB2' HD13 ' A' ' 19' ' ' LEU . 53.0 m -71.22 -24.52 62.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.432 0.56 . . . . 0.0 112.414 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -94.78 -6.43 43.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.717 0.294 . . . . 0.0 110.341 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.388 0.613 . . . . 0.0 110.878 -179.163 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.583 ' HB3' HG21 ' A' ' 66' ' ' THR . 6.6 p-80 . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.08 140.38 31.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.0 p -77.41 175.17 10.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.802 177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -63.71 4.08 Favored Glycine 0 C--N 1.33 0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.053 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.62 -43.22 52.04 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.731 2.288 . . . . 0.0 112.774 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -60.46 -53.22 60.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 65' ' ' LEU . . . -58.72 -49.03 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.888 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.97 -36.59 81.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.953 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.6 m -62.5 -40.95 98.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.46 -40.14 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.283 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 69.3 mt -56.65 -45.9 81.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.88 -16.64 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 38' ' ' THR . 76.6 mm-40 -71.41 -3.69 22.27 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 111.23 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 p -82.16 -3.93 55.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m 66.03 20.94 11.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.864 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.49 147.74 33.43 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.253 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -62.33 148.7 92.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 111.946 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.94 -20.05 65.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.74 -42.01 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.694 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.81 -38.79 89.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.298 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.0 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.301 . . . . 0.0 111.107 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -48.21 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.557 HD11 HD12 ' A' ' 77' ' ' ILE . 89.8 mt -64.53 -37.63 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.052 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -58.79 -50.63 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.48 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.02 -33.85 73.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.55 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.77 -31.28 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -83.7 -50.55 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -68.53 113.31 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 99' ' ' PHE . 37.5 mm -91.95 -22.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 110.74 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -96.85 -17.24 20.32 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.526 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 66.53 31.5 7.92 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -88.68 -10.91 46.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.645 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.37 25.14 61.82 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.71 151.55 39.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 36' ' ' ALA . 41.0 mt -122.27 118.27 28.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.583 HG21 ' HB3' ' A' ' 30' ' ' HIS . 71.3 p -74.72 -171.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 174.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.82 -53.22 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.516 0.198 . . . . 0.0 111.094 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -34.02 76.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.292 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.91 -41.56 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.418 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 59.5 t80 -59.6 -41.94 91.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.802 175.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 17' ' ' ARG . 65.0 mt -56.51 -46.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.828 175.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.5 tp -60.71 -52.57 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.929 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -53.6 56.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.759 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.418 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 96.7 mmm -65.81 -28.25 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.452 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.513 ' O ' HG21 ' A' ' 79' ' ' VAL . 79.7 t60 -69.42 -34.76 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.406 HD12 HG21 ' A' ' 53' ' ' ILE . 97.9 mt -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.557 HD12 HD11 ' A' ' 53' ' ' ILE . 1.5 mp -58.38 -43.78 87.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.866 172.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.19 -41.67 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 75' ' ' HIS . 89.8 t -62.58 -44.8 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.488 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.25 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -25.54 67.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.323 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 m -81.4 1.94 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.691 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.95 14.56 72.12 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.593 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -93.82 146.44 31.72 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.87 150.81 62.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.896 2.398 . . . . 0.0 112.478 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 93.0 mt -90.49 144.76 31.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.32 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 6.5 Cg_exo -73.94 153.71 47.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 178.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 3.1 Cg_exo -77.28 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 175.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.54 153.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.9 tp -83.44 140.41 41.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.697 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.4 Cg_exo -81.88 154.63 17.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.774 2.316 . . . . 0.0 111.881 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.66 -19.61 54.02 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 112.514 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 6.2 mm-40 -76.53 -19.87 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.022 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.42 ' HB2' ' HD2' ' A' ' 91' ' ' PRO . 34.0 m-85 -100.71 3.17 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.146 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.9 mt -81.67 120.06 76.94 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.41 151.72 83.53 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.46 2.107 . . . . 0.0 112.176 -178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.54 -33.2 79.13 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.015 2.477 . . . . 0.0 112.947 -176.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -76.82 -21.62 54.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.52 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.2 m-85 -119.24 33.1 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.383 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -177.742 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.9 t90 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 58.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.53 127.15 20.48 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.422 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.31 142.65 87.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.591 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.509 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.1 tp60 -55.4 -48.26 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.918 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -57.88 -35.12 70.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.843 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -75.63 -45.19 38.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 33.0 ptt180 -72.07 -32.34 66.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.73 -39.2 93.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.528 0.68 . . . . 0.0 110.211 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -38.83 92.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.869 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -91.83 -18.7 23.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.754 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -70.99 -25.83 62.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -70.88 -15.98 62.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.029 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 22' ' ' SER . 9.6 tp -161.81 41.33 0.14 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.421 -166.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -37.45 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 60.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -48.12 -44.34 31.87 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -152.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.481 ' HB3' HD12 ' A' ' 19' ' ' LEU . 21.4 t -62.91 -23.87 67.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.708 0.685 . . . . 0.0 111.383 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -92.38 -0.35 57.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.235 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.753 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 35.6 p-80 . . . . . 0 CA--C 1.516 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.99 151.24 21.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 p -88.7 173.63 8.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.56 -64.97 3.06 Favored Glycine 0 CA--C 1.518 0.223 0 O-C-N 123.623 0.577 . . . . 0.0 113.191 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -45.7 37.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.567 2.178 . . . . 0.0 112.597 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.83 -43.66 98.4 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.0 111.068 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -65.5 -47.0 77.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.632 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.721 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.558 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 86.1 m -65.97 -36.79 84.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 177.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.5 -36.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.332 0.587 . . . . 0.0 109.904 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.4 mt -62.2 -44.09 97.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.665 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.558 ' HE2' ' HA ' ' A' ' 38' ' ' THR . 23.0 ptp -66.77 -17.54 64.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.408 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 38' ' ' THR . 78.4 mt-30 -65.93 -14.6 61.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -82.42 -13.32 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.151 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m 63.16 30.39 15.99 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.571 177.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' HG2' ' A' ' 81' ' ' MET . 89.7 mt -87.82 150.61 48.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.59 140.99 54.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.84 2.36 . . . . 0.0 112.63 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -37.06 73.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.261 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.58 88.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.991 0.424 . . . . 0.0 110.749 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -69.25 -40.38 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.219 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.37 -48.11 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -67.18 -42.22 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.64 -41.62 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -56.63 -49.99 73.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.811 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.17 -34.77 75.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.354 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.3 mt -73.67 -31.79 63.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.539 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 t -85.58 -25.68 26.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.6 140.56 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.489 0.662 . . . . 0.0 111.587 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.5 mt -124.31 -28.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.72 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -163.83 5.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -136.86 79.41 1.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.098 0.952 . . . . 0.0 110.15 -176.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.61 -16.54 49.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.017 -170.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.63 25.63 4.71 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 119.552 -1.308 . . . . 0.0 113.775 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -142.8 138.2 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.533 0.666 . . . . 0.0 110.845 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD13 ' HB1' ' A' ' 36' ' ' ALA . 18.9 mt -126.26 113.09 16.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 30.1 p -77.23 -170.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.71 -38.53 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.91 -43.76 94.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.42 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.53 ' HB3' HD23 ' A' ' 65' ' ' LEU . 1.6 mp0 -72.47 -37.77 68.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.648 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -62.04 -45.62 92.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.728 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.2 mt -59.41 -43.86 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.27 177.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 HD11 HD21 ' A' ' 90' ' ' LEU . 53.7 tp -61.61 -49.91 74.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.446 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.38 -52.57 64.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.474 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 21.4 mtp -74.08 -19.23 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.945 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.414 ' O ' HG21 ' A' ' 79' ' ' VAL . 29.7 t60 -69.45 -36.12 76.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 171.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.02 -38.72 66.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.787 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' A' ' 74' ' ' MET . 31.4 mm -56.33 -45.86 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.492 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.19 -36.45 75.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 75' ' ' HIS . 78.9 t -74.62 -46.99 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.16 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.272 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.402 ' HG2' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.3 -11.88 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.702 177.347 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.1 t -92.66 12.08 24.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 109.989 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.05 15.44 81.65 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.329 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 33.0 mm-40 -79.95 147.08 65.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.874 0.369 . . . . 0.0 111.501 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 3.0 Cg_exo -76.34 153.94 35.94 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.017 2.478 . . . . 0.0 111.014 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.3 mt -100.65 143.15 26.01 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.363 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 1.4 Cg_endo -81.52 155.3 18.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.041 2.494 . . . . 0.0 112.279 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.65 -44.43 17.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 111.493 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.9 t -121.06 155.02 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 72' ' ' LEU . 18.6 tp -96.85 143.92 26.96 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -59.35 152.47 60.49 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.07 1.847 . . . . 0.0 111.936 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.91 -40.66 20.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.796 2.331 . . . . 0.0 113.067 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HA ' ' NH2' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -70.01 -14.84 62.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 111.699 -178.132 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -82.94 -16.16 48.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.338 . . . . 0.0 110.178 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.53 118.86 72.7 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.31 153.37 70.74 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.524 2.15 . . . . 0.0 112.487 -176.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.68 156.91 45.03 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.635 2.223 . . . . 0.0 111.615 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m 75.07 -42.63 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.36 0.664 . . . . 0.0 111.198 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -76.13 -8.79 57.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.054 0.455 . . . . 0.0 110.63 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.444 ' NH2' ' HA ' ' A' ' 93' ' ' GLU . 88.4 mtt180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 N--CA 1.479 0.656 0 N-CA-C 110.621 -0.569 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -76.62 166.06 27.85 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.381 2.054 . . . . 0.0 110.964 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 3' ' ' VAL . 25.2 t 61.92 29.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 122.155 0.978 . . . . 0.0 110.098 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.79 11.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.971 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -98.61 141.04 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.71 120.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 124.026 0.829 . . . . 0.0 110.075 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -5.53 33.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 126.59 82.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.71 137.28 21.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.161 2.574 . . . . 0.0 113.116 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.512 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.17 -42.82 86.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.497 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.32 -34.75 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.352 . . . . 0.0 110.487 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -70.33 -45.46 66.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 10' ' ' GLN . 27.1 ptt180 -61.46 -35.14 76.77 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 34.2 mt -66.53 -37.37 84.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.76 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -69.58 -36.04 75.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.172 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.448 ' HB2' HG12 ' A' ' 71' ' ' ILE . 37.2 m-85 -81.24 -35.0 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.659 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.637 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 2.6 tmm_? -61.34 -25.93 67.48 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -74.6 -13.9 60.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.178 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD12 ' HB3' ' A' ' 22' ' ' SER . 7.2 tp -156.72 39.2 0.32 Allowed 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.383 -170.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.24 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 60.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.59 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 1.9 t-20 -47.56 -45.92 27.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -152.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.5 t -63.51 -22.8 67.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -96.5 -7.82 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.561 ' OD2' ' HB3' ' A' ' 28' ' ' SER . 9.6 t70 -96.1 144.87 25.97 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' HG1' ' A' ' 26' ' ' THR . 57.7 pttt -81.93 31.58 0.37 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 0.0 110.369 177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 24' ' ' ASP . 37.6 p 49.9 40.96 22.05 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.922 0.889 . . . . 0.0 111.401 -177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.9 ttt -159.6 -27.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.561 ' HB3' ' OD2' ' A' ' 24' ' ' ASP . 9.2 t -69.43 -54.34 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.219 -175.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.41 85.35 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.268 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' HB3' HG23 ' A' ' 66' ' ' THR . 9.7 p-80 -169.31 151.44 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -107.15 137.76 44.6 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.918 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -72.83 165.01 25.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.803 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.76 -63.91 2.06 Favored Glycine 0 C--N 1.335 0.472 0 CA-C-O 119.647 -0.53 . . . . 0.0 113.637 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.31 -45.36 34.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.756 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -59.59 -53.38 58.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.792 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB2' HD12 ' A' ' 65' ' ' LEU . . . -59.06 -46.83 87.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.762 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -64.03 -32.35 73.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.568 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.416 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 96.6 m -62.34 -46.0 90.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.806 0.336 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.44 -34.76 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.135 0.493 . . . . 0.0 110.026 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.9 mt -64.78 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.9 mtp -62.87 -28.85 70.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.595 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 7.4 mm-40 -76.6 7.18 4.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.899 0.38 . . . . 0.0 111.464 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.9 p -84.9 -19.48 32.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 67.97 21.38 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.583 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.435 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 88.3 mt -87.31 158.55 51.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 30.0 Cg_endo -63.96 142.43 81.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.727 2.285 . . . . 0.0 112.654 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.18 -34.85 74.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.093 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.742 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.26 -37.36 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.868 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -58.81 -47.49 84.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.21 83.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.2 m -65.32 -48.75 71.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.63 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 HD11 ' A' ' 77' ' ' ILE . 79.4 mt -63.02 -38.54 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -60.08 -51.11 71.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.557 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.35 -34.76 74.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.05 -39.42 65.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.355 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -71.92 -61.39 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.457 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' HB3' ' NE2' ' A' ' 61' ' ' GLN . 24.7 t0 -63.46 104.98 0.69 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.23 -28.89 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.743 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.99 9.53 12.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.753 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.405 ' NE2' ' HB3' ' A' ' 58' ' ' ASP . 28.3 mm-40 49.33 63.64 2.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.804 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -96.12 -42.17 8.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.545 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.9 21.46 8.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.797 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -138.87 130.4 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 36' ' ' ALA . 21.4 mt -109.39 114.92 28.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.444 HG23 ' HB3' ' A' ' 30' ' ' HIS . 70.6 p -76.18 -170.63 1.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -64.79 -41.14 96.05 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.362 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -64.29 -45.14 89.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.145 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.502 ' HB3' HD23 ' A' ' 65' ' ' LEU . 6.8 mm-40 -69.68 -36.09 75.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.05 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.3 mt -59.2 -41.87 85.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.002 0.429 . . . . 0.0 110.094 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.42 -52.39 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.639 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.69 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.146 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 mtp -64.98 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.579 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.49 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.8 t60 -67.17 -34.37 77.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.8 -37.24 76.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.225 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.459 HD11 HD12 ' A' ' 53' ' ' ILE . 1.7 mp -59.7 -40.96 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -39.91 95.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.0 t -61.2 -44.13 97.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.295 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.28 -38.31 89.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.5 mmt -63.08 -41.34 99.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -68.45 -12.79 61.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 25.86 59.57 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.055 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 94.5 mt-30 -101.25 144.64 28.96 Favored Pre-proline 0 N--CA 1.447 -0.593 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 17.6 Cg_exo -66.87 137.69 45.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.837 2.358 . . . . 0.0 112.735 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.8 mt -83.77 145.9 48.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.796 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.93 154.12 33.37 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.127 1.885 . . . . 0.0 112.042 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.35 -27.29 16.37 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.453 2.102 . . . . 0.0 111.636 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 t -132.5 149.98 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.3 tp -81.86 141.12 47.27 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.482 ' O ' HG13 ' A' ' 95' ' ' ILE . 87.4 Cg_endo -88.54 152.87 6.4 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.277 1.984 . . . . 0.0 112.171 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.86 -16.94 52.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.02 2.48 . . . . 0.0 111.703 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -58.6 -35.13 71.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.447 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.25 10.38 18.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.75 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 91' ' ' PRO . 67.8 mt -94.62 118.9 66.83 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 25.5 Cg_exo -63.3 154.06 70.42 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.904 2.402 . . . . 0.0 112.529 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.75 157.16 44.06 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.084 2.522 . . . . 0.0 112.083 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.7 m 74.52 -34.84 0.28 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.524 0.729 . . . . 0.0 111.916 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.401 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 86.9 m-85 -86.15 3.16 43.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.097 0.475 . . . . 0.0 110.524 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -88.6 -4.9 58.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.759 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -151.93 116.68 5.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.802 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.74 101.58 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.777 0.799 . . . . 0.0 111.388 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -138.33 104.08 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.651 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.744 HD21 ' H ' ' A' ' 104' ' ' LEU . 2.0 pt? -93.93 22.35 5.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.98 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.33 141.67 51.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -138.06 -4.29 1.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -51.94 103.92 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -151.27 109.74 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.413 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -135.59 100.09 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.097 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -149.99 84.35 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.932 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.643 174.546 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 2.2 Cg_endo . . . . . 0 N--CA 1.477 0.531 0 N-CA-C 110.327 -0.682 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 16.9 Cg_exo -66.55 153.73 76.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.816 2.344 . . . . 0.0 112.199 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 t -80.28 90.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.218 0.533 . . . . 0.0 110.43 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.505 ' HB2' ' HB3' ' A' ' 97' ' ' PRO . . . -115.46 92.82 4.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.253 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.64 146.71 23.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.878 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -143.81 113.46 7.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -84.06 68.25 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.319 0.58 . . . . 0.0 112.189 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.73 132.07 16.13 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.684 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.65 121.65 8.31 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.153 2.569 . . . . 0.0 112.568 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.549 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.6 tp-100 -53.98 -53.31 54.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.639 -174.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 m -58.45 -49.13 78.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -67.54 -34.3 76.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.111 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.594 ' HB2' HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -75.37 -34.61 61.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.502 -175.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 58.6 mt -64.38 -34.86 79.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -61.47 -40.92 96.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.798 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.44 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.1 m-85 -80.58 -22.13 41.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.704 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HB2' HD13 ' A' ' 71' ' ' ILE . 31.4 ttt85 -68.98 -26.43 65.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.705 0.764 . . . . 0.0 109.249 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -75.6 -13.58 60.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.559 -1.201 . . . . 0.0 112.027 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.605 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 9.2 tp -157.98 40.11 0.27 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.009 -170.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -35.9 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 119.501 3.149 . . . . 0.0 119.501 62.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -47.62 -52.36 18.19 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.746 1.157 . . . . 0.0 113.666 -156.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.487 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 73.9 m -72.19 -25.0 61.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.59 0.632 . . . . 0.0 111.808 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.605 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 37.4 m170 -75.5 -41.14 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.291 176.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.65 160.23 31.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -80.66 -28.03 36.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 27' ' ' MET . 13.4 t -154.73 25.59 0.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 26' ' ' THR . 20.1 ptm 51.63 29.44 5.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.46 1.104 . . . . 0.0 111.94 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.9 m -156.88 23.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.867 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.32 -13.33 31.09 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.108 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.624 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.6 p-80 52.9 124.69 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.723 1.209 . . . . 0.0 112.623 -174.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 134.04 42.2 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.382 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.2 p -75.85 174.3 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.03 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.5 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.68 -65.99 2.84 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.17 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.44 -44.4 49.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.17 . . . . 0.0 112.685 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.08 -52.87 63.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.289 . . . . 0.0 110.988 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.534 ' HB3' HD11 ' A' ' 65' ' ' LEU . . . -62.32 -45.25 94.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.03 -38.68 92.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.374 -178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 90.8 m -64.17 -41.74 97.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.544 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.73 -40.28 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 110.037 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.66 -47.16 87.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.5 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.408 ' HA ' HD11 ' A' ' 50' ' ' LEU . 25.8 ttt -65.56 -28.93 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.67 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 48.7 mt-30 -72.67 4.89 3.51 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -77.9 -85.57 0.07 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -172.96 11.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.104 0.561 . . . . 0.0 110.789 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.84 147.54 35.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 111.454 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.93 158.68 34.56 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.586 2.191 . . . . 0.0 111.129 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -62.28 -27.89 69.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.49 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.06 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.56 -37.07 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.727 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.408 HD11 ' HA ' ' A' ' 41' ' ' MET . 94.8 mt -61.0 -37.66 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.03 93.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 0.0 110.694 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -67.41 -42.88 82.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.938 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.446 HG21 HD12 ' A' ' 76' ' ' LEU . 80.8 mt -63.69 -43.88 98.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.453 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.5 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 44.5 t-105 -57.67 -50.58 72.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.795 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.27 -36.53 75.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.612 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.7 mt -74.72 -28.47 60.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.019 177.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.4 ' HA ' HD23 ' A' ' 72' ' ' LEU . 25.1 t -88.76 -47.19 8.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -171.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -72.63 123.14 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mm -105.93 -30.53 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -129.58 -20.6 3.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.581 HE22 HG21 ' A' ' 66' ' ' THR . 40.2 mt-30 -108.26 -24.28 11.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -164.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.42 11.4 7.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.455 0.645 . . . . 0.0 110.855 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.12 26.14 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.846 -1.169 . . . . 0.0 113.83 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 50.0 mttp -150.28 146.18 26.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.474 0.637 . . . . 0.0 109.479 176.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 36' ' ' ALA . 20.8 mt -120.21 109.12 15.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.652 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.624 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.5 p -78.1 -170.71 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.699 0.285 . . . . 0.0 111.539 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 15.3 mm-40 -67.36 -42.66 83.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.158 0.504 . . . . 0.0 110.566 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.411 ' HB3' HD22 ' A' ' 65' ' ' LEU . 29.0 mt-10 -74.76 -40.45 61.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.214 -173.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.46 -42.2 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 13' ' ' ARG . 83.8 mt -61.09 -45.28 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.8 tp -59.3 -44.1 92.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.502 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.51 -52.96 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.405 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 38.8 mtp -70.84 -20.32 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.674 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -71.05 -35.87 72.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.446 HD12 HG21 ' A' ' 53' ' ' ILE . 96.7 mt -71.96 -32.94 67.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.758 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 73' ' ' ALA . 48.1 mm -59.59 -41.63 85.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.476 174.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -37.39 87.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.41 -48.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.618 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.07 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -26.43 68.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -80.24 -10.11 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.76 6.25 67.75 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.796 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.2 mm100 -82.89 143.73 46.77 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.531 0.205 . . . . 0.0 110.538 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.6 Cg_exo -73.15 153.82 51.79 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.353 . . . . 0.0 112.165 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 53.4 mt -84.83 144.06 41.45 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.002 177.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 7.8 Cg_exo -73.21 153.41 51.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.493 2.129 . . . . 0.0 111.701 177.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 11.7 Cg_exo -71.5 -39.21 3.82 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 122.633 2.222 . . . . 0.0 111.3 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.04 138.13 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.551 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 18.4 tp -85.83 142.14 36.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -77.66 153.7 30.27 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.525 2.15 . . . . 0.0 111.782 176.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.56 -25.62 81.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.728 2.285 . . . . 0.0 111.976 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.482 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 10.2 mp0 -58.57 -34.65 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.208 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.85 -0.06 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 60.6 mt -85.7 122.28 73.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.528 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 50.1 Cg_exo -54.53 152.28 27.55 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' HB3' ' HB2' ' A' ' 4' ' ' ALA . 38.4 Cg_exo -61.38 -38.63 62.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.158 2.572 . . . . 0.0 112.887 -175.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -85.7 9.07 17.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.929 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -122.93 -31.11 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.1 -2.91 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 111.671 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -134.26 111.24 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 171.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 131.01 45.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 0.0 111.002 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -104.79 110.92 23.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.94 19.52 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.435 0.636 . . . . 0.0 110.101 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.52 102.05 14.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.469 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -129.62 86.58 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -145.46 104.2 3.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.996 0.427 . . . . 0.0 110.929 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -129.29 102.02 6.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.565 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -103.65 132.44 49.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -86.45 125.91 34.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.971 0.415 . . . . 0.0 111.243 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.241 173.561 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo . . . . . 0 N--CA 1.481 0.743 0 N-CA-C 109.87 -0.858 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 125.97 18.38 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.027 1.818 . . . . 0.0 111.267 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 t -79.39 93.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.342 0.591 . . . . 0.0 109.49 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.42 55.08 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.434 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 66.31 102.1 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.674 0.609 . . . . 0.0 110.503 -178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.1 t90 72.32 125.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.139 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.23 39.58 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -169.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.61 122.29 20.62 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -53.67 144.61 52.48 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.946 2.431 . . . . 0.0 112.712 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 6.2 tp-100 -56.35 -47.33 79.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.587 -174.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -61.24 -37.79 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.771 0.319 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 m -74.6 -44.18 51.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.455 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 16.9 ptm180 -63.89 -36.5 84.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.749 0.309 . . . . 0.0 110.818 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.01 -40.15 75.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 50.8 tttp -58.87 -41.47 87.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.342 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -89.2 -13.45 38.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.917 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -74.94 -25.5 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 31.9 mt-30 -70.27 -14.7 62.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.891 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD13 ' OG ' ' A' ' 22' ' ' SER . 12.7 tp -157.13 42.12 0.33 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.962 -169.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -38.67 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 59.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -47.18 -46.53 23.77 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -150.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.452 ' OG ' HD13 ' A' ' 19' ' ' LEU . 9.0 p -63.04 -23.13 67.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 118.291 0.496 . . . . 0.0 112.205 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -98.56 2.02 47.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 25' ' ' LYS . 26.1 t70 -94.68 169.52 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.079 0.466 . . . . 0.0 110.287 179.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.872 ' HG2' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -130.16 -71.13 0.61 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.163 -175.023 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.872 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 15.4 t -179.19 152.05 0.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 28' ' ' SER . 45.5 ttm 66.02 168.07 0.21 Allowed 'General case' 0 CA--C 1.538 0.481 0 O-C-N 123.318 0.386 . . . . 0.0 110.685 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 27' ' ' MET . 24.7 m 76.43 -52.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.895 0.878 . . . . 0.0 110.923 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.13 8.11 58.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.875 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.585 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.9 p-80 -148.81 158.76 44.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -109.29 158.95 17.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.581 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 p -89.78 177.1 6.59 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.97 -63.86 3.65 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 113.458 179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.52 -42.63 60.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.76 2.307 . . . . 0.0 113.024 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.5 -50.21 68.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.499 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -60.29 -47.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.511 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 92.8 mtt180 -63.64 -30.04 71.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.935 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' ' 41' ' ' MET . 54.6 m -56.07 -48.27 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.103 0.478 . . . . 0.0 110.481 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.3 mt -74.61 -40.9 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.387 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 73.1 mt -60.39 -37.72 81.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.244 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' A' ' 38' ' ' THR . 27.4 ptt? -68.36 -18.33 64.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.691 0.281 . . . . 0.0 111.424 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.53 6.53 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.635 0.255 . . . . 0.0 111.351 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.0 p -78.51 -9.17 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.765 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 15.93 8.5 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.709 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -96.69 151.83 38.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 159.85 47.94 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.488 2.126 . . . . 0.0 112.25 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.11 -34.13 73.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.319 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -51.29 64.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.412 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -70.76 -38.02 73.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.334 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.74 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.396 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.96 74.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -66.15 -45.31 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.055 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 HD11 HD12 ' A' ' 77' ' ' ILE . 89.6 mt -64.67 -38.92 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.462 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -59.26 -47.87 83.75 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.223 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.8 -32.57 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.817 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.55 -28.42 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.615 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 t -99.72 -18.83 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.3 93.46 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.53 HG22 ' HB3' ' A' ' 99' ' ' PHE . 47.6 mm -74.37 -48.99 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.923 -172.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.57 -8.07 55.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.481 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 61.77 79.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.643 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -147.39 -50.34 0.19 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.187 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.57 22.34 0.69 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -119.79 133.59 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD13 ' HB1' ' A' ' 36' ' ' ALA . 17.1 mt -111.57 114.67 27.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.693 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 30' ' ' HIS . 76.3 p -74.55 -178.91 3.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.209 174.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.88 -51.04 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.674 0.273 . . . . 0.0 110.934 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.468 ' HG3' ' HE2' ' A' ' 99' ' ' PHE . 2.1 pm0 -67.27 -31.27 71.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.158 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.01 -43.16 62.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.021 0.439 . . . . 0.0 110.104 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.423 ' HE2' ' HA ' ' A' ' 36' ' ' ALA . 24.9 t80 -60.62 -40.04 90.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.8 mt -60.66 -45.46 97.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.023 0.439 . . . . 0.0 110.673 177.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.82 -49.68 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.329 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.67 75.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.362 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.3 mmm -62.17 -32.61 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 79' ' ' VAL . 84.1 t60 -70.06 -34.73 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.808 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.94 -35.78 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.465 HD12 HD11 ' A' ' 53' ' ' ILE . 1.5 mp -57.44 -46.19 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 171.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.64 -46.9 83.58 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.757 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 75' ' ' HIS . 98.7 t -56.96 -52.08 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.098 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.13 93.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.097 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.433 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.68 -29.11 69.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.349 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 m -83.05 5.63 21.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.409 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.51 77.91 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.761 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -90.21 144.53 31.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.37 166.28 29.08 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.436 2.091 . . . . 0.0 112.045 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.73 147.27 35.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.114 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.7 153.5 69.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.004 1.802 . . . . 0.0 112.086 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.33 -39.9 27.59 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.275 1.983 . . . . 0.0 111.094 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 t -140.43 153.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.0 tp -80.54 140.09 51.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 2.3 Cg_endo -84.76 153.44 11.57 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.631 2.221 . . . . 0.0 111.981 177.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.43 -27.33 75.55 Favored 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 122.774 2.316 . . . . 0.0 112.713 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.7 -27.35 68.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.354 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.454 ' HE1' ' HD2' ' A' ' 75' ' ' HIS . 25.2 m-85 -95.6 -8.47 34.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.388 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.5 mt -85.59 115.07 60.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.286 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 17.5 Cg_exo -66.3 154.45 74.16 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.848 2.366 . . . . 0.0 112.291 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 99' ' ' PHE . 52.1 Cg_exo -56.19 151.36 43.77 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.076 2.518 . . . . 0.0 112.018 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 t 74.93 -37.88 0.36 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.148 0.579 . . . . 0.0 111.142 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HB3' HG22 ' A' ' 59' ' ' ILE . 77.7 m-85 -84.62 4.73 30.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 110.672 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.09 -13.55 61.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -81.25 79.26 7.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.135 0.493 . . . . 0.0 110.65 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.97 109.38 27.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.21 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.8 ttt180 -133.4 102.48 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.292 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.5 tp 71.54 138.64 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.919 0.762 . . . . 0.0 111.579 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.06 122.57 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.413 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -83.14 69.79 9.95 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -63.5 141.93 58.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.287 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -134.6 116.47 15.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.488 0.661 . . . . 0.0 111.787 -176.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -113.71 158.93 20.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.133 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -105.65 139.27 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.487 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 55.1 t60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.15 -0.928 . . . . 0.0 110.423 177.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.479 0.641 0 N-CA-C 110.124 -0.76 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.24 105.52 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.216 . . . . 0.0 111.555 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -94.21 108.46 20.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.01 93.73 1.77 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.748 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -145.71 116.89 7.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.65 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.07 131.44 54.6 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 39.86 0.08 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -171.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.4 126.95 19.54 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -48.72 133.67 27.21 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.469 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.491 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 20.5 mt-30 -60.21 -39.46 86.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.036 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m -65.55 -39.31 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -74.04 -41.46 61.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 8.2 ptp180 -62.58 -34.18 76.45 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.422 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 mt -71.3 -37.95 71.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 110.988 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.59 -45.41 65.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.186 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -85.42 -9.72 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.135 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.8 ttp180 -74.94 -25.79 59.14 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 170.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.87 -14.13 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.369 177.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.0 tp -158.86 42.42 0.24 Allowed 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.31 -170.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.494 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 32.0 t80 -37.7 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 119.933 3.309 . . . . 0.0 119.933 59.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -47.82 -41.58 24.08 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.518 1.674 . . . . 0.0 115.518 -152.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.511 ' HB2' HD12 ' A' ' 19' ' ' LEU . 42.9 m -59.51 -24.77 63.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.773 0.715 . . . . 0.0 111.945 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.65 -32.98 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.234 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.569 ' OD1' ' HB2' ' A' ' 27' ' ' MET . 20.8 t70 -80.29 102.81 9.75 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.793 0.806 . . . . 0.0 109.741 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -110.84 -49.01 3.07 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.708 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -137.19 27.79 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.12 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.569 ' HB2' ' OD1' ' A' ' 24' ' ' ASP . 66.9 mtt -91.4 -84.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.498 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t 174.65 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.93 21.9 2.05 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.492 -171.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.585 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 -154.77 140.32 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.773 0.32 . . . . 0.0 110.282 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 81.8 mt -92.2 141.32 28.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.14 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.87 165.31 21.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.061 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.74 -64.19 2.22 Favored Glycine 0 CA--C 1.522 0.5 0 O-C-N 123.393 0.433 . . . . 0.0 113.564 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.97 -41.62 73.19 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.555 2.17 . . . . 0.0 112.369 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.07 -54.54 43.78 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.277 0.361 . . . . 0.0 111.272 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.552 ' HB2' HD11 ' A' ' 65' ' ' LEU . . . -61.11 -44.07 97.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.933 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 37' ' ' ARG . 22.9 mtm180 -63.4 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.453 -178.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.457 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 92.2 m -58.25 -52.51 65.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.0 -39.71 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 52.9 mt -58.76 -41.12 85.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.015 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.71 -19.27 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.707 0.289 . . . . 0.0 111.606 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.9 mm-40 -74.66 -2.86 28.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 111.312 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -77.03 -19.64 56.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.452 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.8 m 69.05 14.52 8.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.44 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 97.3 mt -76.2 160.17 78.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.5 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 35.8 Cg_endo -65.94 144.64 77.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.959 1.773 . . . . 0.0 111.274 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.08 -28.29 69.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.936 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.79 -47.03 81.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.09 0.471 . . . . 0.0 110.778 175.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 87.9 mt-30 -73.33 -38.32 65.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 178.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.18 -46.59 88.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.941 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.58 94.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.529 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.2 m -60.16 -48.75 80.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 77' ' ' ILE . 94.7 mt -60.38 -44.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.932 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -59.57 -50.58 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.34 -34.91 76.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 mt -74.65 -31.7 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.946 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -87.16 -35.25 18.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -74.96 93.42 2.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.422 0.629 . . . . 0.0 109.829 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.483 HG22 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mm -82.45 -33.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.949 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.89 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.082 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 65.01 54.68 1.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.317 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.91 -10.36 3.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.85 35.07 10.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.666 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -139.17 148.0 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 36' ' ' ALA . 31.3 mt -120.73 112.01 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.593 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 30' ' ' HIS . 52.6 p -71.03 178.11 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.6 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -60.57 -38.37 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.73 0.3 . . . . 0.0 110.674 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -67.16 -43.0 83.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.44 -35.12 65.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -60.04 -42.65 94.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.286 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.6 mt -59.0 -45.01 92.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.229 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD23 ' HD3' ' A' ' 96' ' ' PRO . 63.5 tp -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.659 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -52.97 62.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.93 -28.73 70.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.447 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.501 ' O ' HG21 ' A' ' 79' ' ' VAL . 75.9 t60 -68.12 -34.72 76.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.464 HD12 HG22 ' A' ' 53' ' ' ILE . 97.1 mt -69.7 -38.71 77.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.046 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 53' ' ' ILE . 1.8 mp -59.38 -43.54 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.97 -41.84 88.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 75' ' ' HIS . 91.4 t -63.5 -45.35 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.425 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.65 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.4 mmt -64.37 -17.59 63.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.452 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -89.97 -10.85 43.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.961 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.11 23.27 32.78 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.275 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -94.8 143.73 26.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.692 0.282 . . . . 0.0 111.318 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.1 Cg_exo -74.16 134.84 19.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 111.431 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.72 144.0 41.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.84 154.01 43.0 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.531 2.154 . . . . 0.0 112.502 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.16 -28.37 12.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.398 2.065 . . . . 0.0 111.665 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.38 152.7 36.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.5 tp -101.08 140.33 21.21 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 9.7 Cg_exo -74.21 153.73 46.16 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.789 2.326 . . . . 0.0 112.132 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.417 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 31.2 Cg_exo -60.68 -28.17 86.07 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.0 2.467 . . . . 0.0 113.01 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.25 -17.5 64.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 111.525 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -101.64 -1.07 33.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.305 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.417 ' CD1' ' HA ' ' A' ' 92' ' ' PRO . 69.5 mt -78.3 124.8 85.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.691 0.281 . . . . 0.0 110.781 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.533 ' HD3' HD23 ' A' ' 72' ' ' LEU . 32.1 Cg_endo -63.88 154.43 69.89 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.102 2.535 . . . . 0.0 112.803 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -55.51 151.22 38.97 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.046 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.1 m 74.29 -36.54 0.33 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.272 0.629 . . . . 0.0 111.958 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.483 ' HB3' HG22 ' A' ' 59' ' ' ILE . 97.8 m-85 -88.41 7.87 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.116 0.484 . . . . 0.0 110.235 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -74.66 -0.28 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.961 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -151.12 84.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.94 0.4 . . . . 0.0 110.244 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.41 88.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.623 0.725 . . . . 0.0 111.625 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.618 ' HA ' ' HE ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -155.35 125.32 6.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.604 177.411 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -112.1 -67.93 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.58 153.84 40.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 0.0 111.355 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -95.22 -27.29 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.426 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -100.71 106.7 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.468 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -71.9 132.46 44.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.238 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.68 131.45 50.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.288 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.6 -50.86 9.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m170 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.797 173.787 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.479 0.673 0 N-CA-C 110.548 -0.597 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.42 160.23 50.59 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.552 2.168 . . . . 0.0 112.489 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.59 122.3 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.73 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.18 -160.35 0.29 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.61 0.569 . . . . 0.0 110.272 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 66.13 13.0 8.9 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.453 0.644 . . . . 0.0 110.459 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.515 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 9.4 t90 66.03 104.47 0.04 OUTLIER 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.629 -174.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.54 67.48 2.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.753 -169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.419 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 p -142.86 129.17 10.55 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.771 171.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 50.9 Cg_exo -54.48 141.99 71.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.07 2.513 . . . . 0.0 113.216 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.558 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 18.8 pt20 -60.43 -35.49 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.983 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -61.75 -42.25 98.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -66.15 -42.17 89.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.558 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 18.3 mtp180 -58.72 -38.41 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.36 -48.02 52.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.408 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.04 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.422 ' HB2' HG12 ' A' ' 71' ' ' ILE . 53.4 m-85 -86.03 -7.08 58.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.803 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.798 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 22' ' ' SER . 9.7 tp -162.71 42.54 0.12 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.006 -166.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -38.99 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 58.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -46.82 -41.08 14.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -150.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB2' HD12 ' A' ' 19' ' ' LEU . 34.0 m -59.21 -23.08 61.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.752 0.706 . . . . 0.0 111.394 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -102.32 12.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -90.84 128.98 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -132.66 -72.87 0.51 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 p -133.36 110.17 9.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -171.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.425 ' O ' ' HB2' ' A' ' 28' ' ' SER . 25.0 ptt? 55.76 136.27 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 166.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' MET . 73.9 m 76.29 95.17 0.07 Allowed 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.124 -1.398 . . . . 0.0 109.302 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.19 58.39 0.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 114.606 -1.179 . . . . 0.0 113.039 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.53 ' HB3' HG21 ' A' ' 66' ' ' THR . 7.3 p-80 -146.34 156.98 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.028 0.442 . . . . 0.0 111.405 173.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.21 158.26 16.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.05 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 p -90.03 173.61 8.11 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.322 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.09 -64.46 3.97 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.378 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.17 -43.05 55.93 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.616 2.21 . . . . 0.0 112.594 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.4 -47.42 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.575 0.226 . . . . 0.0 110.954 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' HB3' HD12 ' A' ' 65' ' ' LEU . . . -60.74 -46.67 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.204 0.526 . . . . 0.0 110.58 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.51 -39.75 94.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.721 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.461 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 96.8 m -59.79 -45.25 92.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.954 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.35 -39.26 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.004 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.476 ' HB3' HD23 ' A' ' 50' ' ' LEU . 61.1 mt -57.39 -42.81 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.251 176.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.3 mtp -68.41 -18.79 64.53 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.613 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -79.5 1.58 25.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 m -78.91 -85.02 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.416 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 m 175.86 -32.77 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.678 0.791 . . . . 0.0 109.942 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 69.0 mt -66.81 144.99 98.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.848 -173.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.76 177.85 7.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.846 2.364 . . . . 0.0 112.123 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.19 -37.89 72.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.099 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.87 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.333 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 15.1 mm100 -73.46 -38.96 65.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 HD23 ' HB3' ' A' ' 40' ' ' LEU . 51.6 mt -62.15 -45.17 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.52 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.65 83.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.738 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 t -62.47 -49.28 76.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.14 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.69 -42.55 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.984 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -57.91 -48.49 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.448 . . . . 0.0 110.295 177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.65 -33.87 73.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.721 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.78 -37.45 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.522 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -78.97 -46.64 17.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.24 117.55 19.61 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 110.41 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.4 mm -94.42 -26.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.241 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.04 -15.86 18.09 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.225 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 72.29 21.9 3.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.523 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.519 ' OD2' ' HD3' ' A' ' 64' ' ' LYS . 22.7 t0 -73.77 -32.79 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.438 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 95.98 1.36 61.45 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.221 177.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.519 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 10.3 mptt -114.63 140.2 49.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.505 HD12 ' HB3' ' A' ' 36' ' ' ALA . 29.7 mt -108.48 122.89 47.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.53 HG21 ' HB3' ' A' ' 30' ' ' HIS . 43.6 p -78.64 -169.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.35 -47.2 71.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.101 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.98 -35.25 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' HB3' HD23 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -70.12 -38.98 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.036 0.446 . . . . 0.0 110.156 177.656 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.69 -46.01 90.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 67' ' ' ALA . 78.5 mt -59.56 -41.11 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.338 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.437 HD21 ' HD3' ' A' ' 96' ' ' PRO . 49.6 tp -62.13 -51.7 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.76 -48.18 78.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.204 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.3 mmm -67.38 -29.29 68.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.335 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.508 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.9 t60 -68.01 -36.32 79.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.76 -36.08 70.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.834 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 81' ' ' MET . 24.4 mm -56.58 -49.78 76.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.903 173.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.6 -39.99 81.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.49 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 75' ' ' HIS . 97.6 t -64.51 -50.43 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HB3' HD21 ' A' ' 86' ' ' LEU . . . -67.67 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.5 OUTLIER -59.02 -27.22 65.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.33 0.652 . . . . 0.0 111.29 176.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 t -87.71 6.57 34.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.4 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.54 25.34 43.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.619 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.408 ' HB2' HG13 ' A' ' 79' ' ' VAL . 30.4 mm-40 -100.8 147.83 34.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.549 0.214 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.83 153.38 33.24 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.759 2.306 . . . . 0.0 112.463 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.467 HD21 ' HB3' ' A' ' 80' ' ' ALA . 91.3 mt -95.97 144.26 27.52 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.662 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 74.2 Cg_endo -81.46 154.8 18.57 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.701 2.267 . . . . 0.0 112.496 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.4 Cg_exo -74.52 -32.67 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.723 2.282 . . . . 0.0 111.025 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.36 147.98 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.234 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.1 tp -102.99 141.95 23.54 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.896 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 16.2 Cg_exo -71.1 153.09 62.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.62 2.214 . . . . 0.0 112.209 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.405 ' HA ' HD12 ' A' ' 95' ' ' ILE . 33.8 Cg_exo -59.1 -30.81 94.21 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.247 2.631 . . . . 0.0 113.529 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.515 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.3 mp0 -60.98 -28.62 69.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.691 0.281 . . . . 0.0 111.488 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -93.46 -5.0 50.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' A' ' 92' ' ' PRO . 59.8 mt -90.57 126.65 55.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.676 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.437 ' HD3' HD21 ' A' ' 72' ' ' LEU . 37.0 Cg_exo -61.83 157.86 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.986 2.457 . . . . 0.0 112.056 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.27 175.3 5.97 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.97 2.446 . . . . 0.0 112.688 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.446 ' O ' HG11 ' A' ' 102' ' ' VAL . 13.3 m 70.65 -65.92 0.31 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.812 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -63.91 -10.57 21.75 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.2 -29.36 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.43 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -135.9 26.93 3.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.446 HG11 ' O ' ' A' ' 98' ' ' SER . 19.2 m -82.77 4.54 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 111.95 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' H ' ' HG3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -92.76 137.18 32.59 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.113 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -153.33 69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.681 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.15 84.93 6.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.642 0.734 . . . . 0.0 110.109 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -117.58 19.74 13.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.069 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -114.83 141.94 47.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.6 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -116.26 65.63 0.71 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 165.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -62.85 -40.88 98.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.338 -1.301 . . . . 0.0 112.205 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -108.51 110.82 22.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.0 0.429 . . . . 0.0 111.556 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.6 t60 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.582 172.753 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 N--CA 1.481 0.755 0 N-CA-C 111.076 -0.394 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.448 ' O ' HG12 ' A' ' 3' ' ' VAL . 91.3 Cg_endo -82.07 102.1 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.639 2.226 . . . . 0.0 112.838 -178.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.448 HG12 ' O ' ' A' ' 2' ' ' PRO . 0.5 OUTLIER 54.77 -174.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.698 0.799 . . . . 0.0 111.556 176.335 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.447 ' H ' HG21 ' A' ' 3' ' ' VAL . . . -82.6 57.9 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.15 0.5 . . . . 0.0 110.861 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -106.69 141.67 37.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -112.73 134.47 54.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.99 126.97 84.86 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.566 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.4 Cg_exo -51.15 147.78 19.56 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.442 2.761 . . . . 0.0 113.28 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.48 -45.78 87.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.628 -175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -62.23 -34.15 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -70.79 -41.23 71.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 29.3 mtm180 -59.38 -38.04 79.48 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.85 -47.81 83.36 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 88.0 tttt -63.66 -42.63 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.412 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.5 m-85 -79.08 -18.21 53.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.81 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.6 tpt180 -75.02 -26.79 59.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 54.0 mt-30 -76.18 -17.38 59.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.638 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 22' ' ' SER . 5.2 tp -156.32 43.49 0.4 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.483 -168.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 6.2 t80 -38.67 -85.37 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 119.945 3.313 . . . . 0.0 119.945 57.764 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -47.13 -44.3 21.48 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -149.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.545 ' HB2' HD11 ' A' ' 19' ' ' LEU . 35.5 m -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.349 0.522 . . . . 0.0 112.007 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -103.14 9.78 38.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.73 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -110.16 142.96 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.2 pttt -92.27 -8.56 44.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.824 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 m -98.23 -80.07 0.46 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.605 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.5 ttt 173.79 -38.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.264 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 15.7 t -167.03 35.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.423 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.0 41.15 2.39 Favored Glycine 0 C--O 1.228 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 114.096 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.507 ' HB3' HG23 ' A' ' 66' ' ' THR . 13.1 p-80 54.16 157.74 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.907 1.283 . . . . 0.0 113.844 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 99.0 mt -116.57 154.44 30.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.986 173.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 p -81.7 171.75 14.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.437 0.161 . . . . 0.0 110.8 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.2 -64.71 4.04 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 113.34 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.38 -41.09 80.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.526 2.151 . . . . 0.0 112.381 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.55 -44.19 91.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.718 0.294 . . . . 0.0 110.8 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.571 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.05 -48.5 81.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 110.303 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -65.8 -29.14 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.941 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -60.77 -41.45 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.859 0.361 . . . . 0.0 110.506 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.15 -38.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.645 HD21 HD12 ' A' ' 77' ' ' ILE . 71.7 mt -60.37 -39.58 87.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.053 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.48 -23.21 66.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -72.48 -9.99 59.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 111.097 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.8 -12.61 55.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.301 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t 64.95 25.22 12.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.43 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.52 HD13 HG23 ' A' ' 77' ' ' ILE . 85.9 mt -79.83 151.41 73.67 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.586 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.02 154.35 52.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.327 2.018 . . . . 0.0 111.758 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.39 -24.98 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.825 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.47 -47.89 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.866 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.27 -39.13 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.423 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.92 -42.74 94.58 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.73 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.15 75.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.842 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -73.81 -47.69 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.08 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.97 -48.45 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -59.54 -46.9 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.354 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.18 -33.06 71.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.508 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.6 mt -74.46 -39.52 62.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.525 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 p -77.79 -37.93 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.49 111.82 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.65 -52.71 6.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -116.07 -22.79 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.595 ' NE2' HG22 ' A' ' 66' ' ' THR . 43.2 mt-30 -96.85 -22.48 16.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 -166.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 68.11 13.98 9.2 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.2 28.77 0.02 OUTLIER Glycine 0 C--N 1.319 -0.396 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.228 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -148.73 161.07 42.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.542 HD11 ' HB2' ' A' ' 36' ' ' ALA . 21.4 mt -125.39 117.03 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.712 0.291 . . . . 0.0 110.858 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.595 HG22 ' NE2' ' A' ' 61' ' ' GLN . 23.0 p -74.69 -175.82 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.28 -41.53 85.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 109.794 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.7 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 35.2 mp0 -64.25 -42.92 96.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.771 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.08 -33.26 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 110.365 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.5 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 9.3 t80 -66.03 -45.45 81.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.579 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -57.31 -45.02 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.108 0.48 . . . . 0.0 110.499 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 65.3 tp -60.5 -45.42 93.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.458 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.13 -52.32 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.759 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.5 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 36.3 mtp -67.98 -26.91 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.826 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.406 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.9 t60 -69.31 -37.47 77.79 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.739 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 89.0 mt -67.19 -37.61 83.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.197 0.523 . . . . 0.0 109.608 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.645 HD12 HD21 ' A' ' 40' ' ' LEU . 62.6 mt -61.77 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.832 175.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.14 -38.67 73.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.6 t -70.52 -45.46 74.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.834 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.77 -34.33 77.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -57.51 -40.41 78.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.267 0.627 . . . . 0.0 110.754 177.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -67.53 -29.88 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.017 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.21 9.11 26.34 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.509 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -76.12 144.99 76.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.25 . . . . 0.0 110.618 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.63 139.11 43.46 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.747 2.298 . . . . 0.0 111.94 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.7 mt -87.1 144.88 37.0 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.876 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.446 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 46.1 Cg_endo -71.74 153.35 59.23 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.178 1.919 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.6 Cg_exo -78.94 -36.19 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.796 2.33 . . . . 0.0 110.791 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 26.9 m -114.28 161.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.683 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 15.5 tp -119.02 138.88 26.61 Favored Pre-proline 0 C--N 1.319 -0.725 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.814 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.2 Cg_exo -83.28 153.92 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.182 2.588 . . . . 0.0 112.369 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -65.41 -13.29 39.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.333 2.689 . . . . 0.0 113.448 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.36 -14.57 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -95.11 -25.41 16.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 69.4 mt -70.95 129.71 89.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.7 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 52.6 Cg_exo -55.77 153.6 29.8 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.85 2.366 . . . . 0.0 112.904 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.421 ' C ' ' H ' ' A' ' 99' ' ' PHE . 50.4 Cg_exo -54.85 150.05 39.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.965 2.444 . . . . 0.0 112.034 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 m 75.41 -28.36 0.19 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.457 0.703 . . . . 0.0 111.542 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.694 ' HA ' ' HB ' ' A' ' 102' ' ' VAL . 95.4 m-85 -91.4 -15.45 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.591 0.234 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -56.99 -41.69 78.87 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.32 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -139.66 75.92 1.54 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.731 0.777 . . . . 0.0 109.168 167.104 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.694 ' HB ' ' HA ' ' A' ' 99' ' ' PHE . 8.9 p -85.34 3.52 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.35 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 54.96 96.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.324 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.8 mt -80.46 137.57 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.472 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -151.25 111.9 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.708 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -149.78 109.52 4.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.58 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -103.61 -38.49 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.475 ' CE1' ' HA ' ' A' ' 111' ' ' HIS . 27.5 t-80 -135.25 89.83 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.416 175.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.14 99.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 52.23 -87.32 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.153 0.981 . . . . 0.0 111.766 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.475 ' HA ' ' CE1' ' A' ' 108' ' ' HIS . 11.6 p80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.734 -0.65 . . . . 0.0 109.56 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.473 0.29 0 N-CA-C 109.863 -0.86 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.04 143.45 92.77 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.582 2.188 . . . . 0.0 111.637 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 m -67.96 128.09 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 121.079 0.466 . . . . 0.0 111.285 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.25 97.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.952 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.9 160.17 43.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 -174.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -124.02 119.01 28.3 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.81 41.65 0.28 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.98 125.08 24.78 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -51.22 148.9 17.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.992 2.461 . . . . 0.0 112.472 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.43 -37.84 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.675 -175.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -66.94 -40.43 87.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.004 0.431 . . . . 0.0 110.154 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -67.64 -43.51 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 10.8 ptp180 -63.89 -33.06 74.84 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.656 0.265 . . . . 0.0 110.7 -177.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 mt -71.12 -40.19 71.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.268 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.32 -47.46 83.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.42 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -80.61 -30.0 36.82 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.737 -178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB2' HD12 ' A' ' 71' ' ' ILE . 49.3 ttp85 -67.19 -25.32 66.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.24 -12.96 60.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.597 177.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 22' ' ' SER . 10.3 tp -153.21 38.36 0.5 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.531 -171.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 8.6 t80 -36.39 -85.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 61.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -49.01 -38.28 22.97 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -152.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.519 ' HB3' HD12 ' A' ' 19' ' ' LEU . 36.3 t -65.4 -27.76 68.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.608 0.64 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -91.64 -17.41 25.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.354 . . . . 0.0 110.663 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.68 148.43 25.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.704 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -114.83 18.55 16.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -140.76 -70.81 0.37 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.182 0.515 . . . . 0.0 110.926 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 46.8 ttm 178.61 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.622 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.56 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 26.9 t -164.0 47.32 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.5 14.28 41.86 Favored Glycine 0 C--O 1.228 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.382 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' HB3' HG21 ' A' ' 66' ' ' THR . 6.6 p-80 59.32 153.77 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.246 1.419 . . . . 0.0 113.487 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.12 141.78 44.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.657 172.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -84.67 177.8 7.91 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.201 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.661 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.46 -64.66 3.69 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.218 -177.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -48.24 23.02 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.877 2.384 . . . . 0.0 112.728 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.72 -55.15 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.494 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.547 ' HB2' HD13 ' A' ' 65' ' ' LEU . . . -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.404 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' HD11 ' A' ' 40' ' ' LEU . 9.0 ttm180 -70.78 -29.75 66.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.483 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.502 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 52.7 m -62.59 -42.74 99.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.387 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.9 mt -61.68 -42.37 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.403 0.621 . . . . 0.0 109.579 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 37' ' ' ARG . 82.9 mt -59.26 -44.71 92.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.247 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -67.66 -34.0 76.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.12 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 38' ' ' THR . 47.0 mt-30 -74.5 0.71 13.85 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -77.51 -80.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.508 ' HB2' ' HE1' ' A' ' 81' ' ' MET . 66.0 m -171.38 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.803 0.335 . . . . 0.0 110.819 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 50.6 mt -61.42 144.79 91.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.322 -170.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 18.8 Cg_exo -65.94 161.63 38.72 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.819 3.012 . . . . 0.0 112.706 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -27.8 65.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.514 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.95 -51.31 64.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.454 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -65.36 -37.92 88.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.972 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 86.7 mt -59.77 -44.94 93.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.808 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.12 91.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.467 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.6 m -58.74 -49.34 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.149 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.452 ' CD1' HD13 ' A' ' 77' ' ' ILE . 90.3 mt -66.06 -41.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.189 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.661 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 50.9 t-105 -61.13 -48.14 82.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.907 0.384 . . . . 0.0 110.349 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.13 -37.23 76.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.31 -29.13 61.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.787 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -82.9 -48.78 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.051 -171.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -79.57 104.53 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.181 0.515 . . . . 0.0 109.747 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.6 mm -71.0 -23.26 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.295 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 3.81 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 43.45 40.55 2.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.061 0.944 . . . . 0.0 111.339 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.36 -41.05 13.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.127 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.84 32.76 3.0 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -172.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.507 ' HZ2' ' HB2' ' A' ' 64' ' ' LYS . 9.6 mtmp? -138.16 139.77 39.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.32 . . . . 0.0 110.616 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD13 ' HB2' ' A' ' 36' ' ' ALA . 20.3 mt -124.71 105.95 9.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.613 172.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.52 HG21 ' HB3' ' A' ' 30' ' ' HIS . 53.3 p -79.56 -171.75 2.94 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.579 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -57.63 -52.48 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 111.226 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.655 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.89 -40.35 60.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.226 0.536 . . . . 0.0 110.085 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.536 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 28.5 t80 -67.35 -37.46 83.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.802 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 67' ' ' ALA . 82.3 mt -55.74 -44.17 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.099 0.476 . . . . 0.0 110.346 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.73 -47.09 87.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.328 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.418 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.96 -53.97 52.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.157 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.536 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 29.6 mtp -68.01 -24.78 65.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.692 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.515 ' O ' HG21 ' A' ' 79' ' ' VAL . 62.1 t60 -73.09 -34.41 66.18 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.81 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.7 -35.54 81.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 173.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 74' ' ' MET . 30.6 mm -56.84 -49.81 77.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 173.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.09 -39.58 78.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 75' ' ' HIS . 96.3 t -63.37 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.659 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.5 -29.98 69.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.508 ' HE1' ' HB2' ' A' ' 44' ' ' SER . 19.3 mmt -60.33 -30.36 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 174.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -80.56 0.19 34.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.37 67.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -93.18 144.48 28.41 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 10.4 Cg_exo -71.97 134.73 24.02 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.939 2.426 . . . . 0.0 111.725 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.14 146.15 66.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.689 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.32 153.15 12.3 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.288 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.09 -7.47 8.1 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.567 2.178 . . . . 0.0 111.555 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.5 t -132.79 151.25 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 22.9 tp -104.28 140.15 20.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -74.42 154.23 45.38 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.535 2.157 . . . . 0.0 111.692 174.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.436 ' HA ' HD12 ' A' ' 95' ' ' ILE . 22.9 Cg_exo -64.62 -26.49 61.43 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.721 2.281 . . . . 0.0 112.126 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -66.67 -14.72 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.576 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -106.9 8.3 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.318 -0.238 . . . . 0.0 111.125 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.436 HD12 ' HA ' ' A' ' 92' ' ' PRO . 66.3 mt -96.29 115.85 65.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 154.45 73.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.654 2.236 . . . . 0.0 112.673 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -60.38 159.83 25.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.796 2.331 . . . . 0.0 112.051 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 m 72.41 -50.19 0.7 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.69 0.619 . . . . 0.0 111.269 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -72.08 -5.87 38.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.311 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.09 -23.41 66.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.103 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 101' ' ' ARG . 18.9 ptt85 -146.91 102.21 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -97.87 14.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 0.0 110.36 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -79.46 76.68 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.399 0.618 . . . . 0.0 110.389 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -126.35 26.67 6.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -81.45 64.69 6.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.087 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -135.82 95.24 3.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.52 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -115.12 98.71 6.95 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.209 0.528 . . . . 0.0 110.252 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -122.04 87.5 2.76 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -143.81 89.33 2.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.386 0.612 . . . . 0.0 111.458 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -111.66 -10.62 14.08 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.304 176.807 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.047 -0.79 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.59 120.6 8.43 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.584 2.189 . . . . 0.0 111.809 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.49 106.4 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.177 0.513 . . . . 0.0 110.71 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.91 114.39 20.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.946 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -81.72 97.55 7.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.256 0.551 . . . . 0.0 110.521 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -147.87 118.05 7.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.379 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.785 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.03 117.0 12.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.877 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.526 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 55.0 Cg_exo -38.01 130.91 0.9 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.704 2.936 . . . . 0.0 113.348 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.517 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 1.9 tt0 -55.93 -29.93 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.126 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -56.84 -41.53 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.9 m -70.32 -43.49 70.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 14.8 ptt180 -77.17 -32.03 55.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.34 -37.55 87.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.159 0.504 . . . . 0.0 110.663 174.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 39.1 tttp -66.11 -44.14 85.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 63.5 t80 -71.42 -32.12 68.03 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.006 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 43.4 ttp180 -57.53 -24.39 55.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.137 177.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.532 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-30 -82.84 -13.27 56.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.585 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -157.4 42.7 0.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.535 0.734 . . . . 0.0 110.304 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.437 ' HD1' ' HA ' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -37.5 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 120.0 3.333 . . . . 0.0 120.0 57.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 25.7 t-20 -46.88 -46.13 20.91 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -151.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.2 m -62.19 -25.43 67.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.595 0.634 . . . . 0.0 112.137 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -96.88 -44.21 7.14 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.616 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.1 125.05 25.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.379 -174.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.733 ' HB3' ' HZ2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -143.2 25.6 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.589 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 t -162.45 -165.99 1.28 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 tpt -90.15 73.16 7.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.24 0.543 . . . . 0.0 109.553 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -79.79 -61.04 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.069 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.86 -29.53 3.02 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.156 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.551 ' HB3' HG22 ' A' ' 66' ' ' THR . 19.9 p-80 -156.04 151.06 26.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 83.0 mt -100.67 165.86 11.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.9 p -87.58 165.68 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -49.85 -64.0 3.8 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.375 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -52.07 -45.73 37.04 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.602 2.201 . . . . 0.0 112.577 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.3 -53.19 61.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.621 0.248 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB2' HD13 ' A' ' 65' ' ' LEU . . . -57.64 -49.18 77.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.657 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' MET . 16.6 mtp180 -64.58 -34.35 78.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.807 -176.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.473 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 85.7 m -61.56 -43.02 99.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.491 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.68 -38.24 65.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.094 0.473 . . . . 0.0 110.094 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 74.6 mt -58.27 -41.94 85.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.682 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 92.5 mtp -69.78 -18.42 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 38' ' ' THR . 78.4 mm-40 -73.81 -1.61 20.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 p -79.74 -17.52 53.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.381 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 69.54 15.84 8.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.992 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.62 154.14 78.61 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.515 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.648 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 31.2 Cg_endo -65.09 145.49 84.95 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.144 1.896 . . . . 0.0 112.093 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -57.96 -28.7 64.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.566 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.63 88.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.648 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 38.6 mt-30 -73.25 -36.53 66.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.037 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.79 -43.53 98.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.85 89.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -66.62 -42.54 86.63 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 49' ' ' GLN . 82.8 mt -60.02 -47.36 92.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 56.1 t-105 -59.46 -49.89 76.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -61.32 -31.4 71.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.288 -177.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -74.73 -38.59 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.466 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.465 ' O ' HD12 ' A' ' 59' ' ' ILE . 71.0 p -77.85 -41.36 37.15 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -85.13 100.95 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 99' ' ' PHE . 3.1 mp -73.16 -45.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.26 -26.71 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.335 -174.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 64.64 73.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.575 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -122.06 -24.34 5.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.151 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.75 32.33 2.92 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.29 -174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -142.28 170.61 15.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' A' ' 36' ' ' ALA . 13.5 mt -137.93 115.63 11.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.469 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.551 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.8 p -72.75 175.81 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.586 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.75 -45.0 93.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.135 0.493 . . . . 0.0 110.638 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.328 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' HG2' HD11 ' A' ' 59' ' ' ILE . 49.2 mt-10 -75.46 -41.91 54.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.159 0.504 . . . . 0.0 111.432 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.465 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -65.8 -36.14 82.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 -177.338 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 67' ' ' ALA . 70.0 mt -55.71 -46.58 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.062 0.458 . . . . 0.0 109.931 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.9 tp -59.17 -43.75 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -50.96 71.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.342 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mtp -62.25 -33.93 75.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.526 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 81.0 t60 -69.17 -38.93 78.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.542 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.0 mt -64.66 -36.22 83.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.323 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.33 -49.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.823 176.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.0 -37.01 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' HIS . 84.7 t -67.31 -48.24 78.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 84' ' ' GLN . . . -62.08 -41.87 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 0.0 110.739 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -21.71 66.34 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.078 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 t -79.42 -4.35 50.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.787 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.46 0.51 55.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.074 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.465 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 15.8 mm100 -91.83 144.41 29.31 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-O 120.623 0.249 . . . . 0.0 110.535 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.38 174.29 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.578 2.185 . . . . 0.0 111.598 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.3 mt -96.58 143.08 25.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 6.5 Cg_exo -73.97 154.18 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.698 2.266 . . . . 0.0 112.169 179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.21 -24.29 20.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.687 2.258 . . . . 0.0 111.696 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.13 147.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.402 177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 19.0 tp -93.96 141.57 23.87 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.477 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.3 Cg_exo -76.35 152.86 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.409 2.072 . . . . 0.0 111.702 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.506 ' HA ' HD13 ' A' ' 95' ' ' ILE . 39.5 Cg_exo -58.21 -35.1 99.04 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.942 2.428 . . . . 0.0 112.497 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.43 -34.66 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.037 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -96.28 -2.45 45.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.555 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.506 HD13 ' HA ' ' A' ' 92' ' ' PRO . 73.7 mt -79.45 124.03 84.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.41 155.35 58.14 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.961 2.441 . . . . 0.0 112.369 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.74 176.21 3.08 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.665 2.243 . . . . 0.0 111.892 177.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m 69.89 -59.28 0.51 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.207 0.603 . . . . 0.0 111.618 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.527 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.0 m-85 -84.71 17.59 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.65 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -79.15 -3.03 43.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.007 0.432 . . . . 0.0 111.007 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.7 tpt85 -124.58 93.67 3.97 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.86 120.42 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.569 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 103' ' ' ARG . 37.1 ttp180 71.95 105.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.259 0.974 . . . . 0.0 112.099 172.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.41 -34.7 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.141 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.581 ' OE2' ' HB2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -146.29 153.6 40.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -106.86 22.51 15.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.446 0.641 . . . . 0.0 109.548 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.581 ' HB2' ' OE2' ' A' ' 105' ' ' GLU . 23.0 t-80 -80.35 102.99 9.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.787 -173.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -149.66 116.41 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -61.22 124.33 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.236 0.541 . . . . 0.0 110.909 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -70.21 146.77 50.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.422 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 76.7 m80 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.583 177.037 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.476 0.498 0 N-CA-C 110.424 -0.645 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.99 119.86 6.3 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.212 1.941 . . . . 0.0 112.04 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -96.06 126.46 48.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.003 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.95 165.82 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.683 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 64.95 -163.49 0.26 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.923 0.764 . . . . 0.0 109.37 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -73.66 122.94 23.11 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.13 49.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG23 HG23 ' A' ' 71' ' ' ILE . 7.2 p -133.73 130.85 20.89 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 172.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.35 142.27 22.83 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.555 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 48.0 mt-30 -65.06 -35.8 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -60.01 -40.31 88.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 176.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -68.99 -45.33 70.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.768 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptp180 -67.77 -30.41 69.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.698 0.285 . . . . 0.0 110.804 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.94 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.681 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.522 ' HB2' HG12 ' A' ' 71' ' ' ILE . 59.3 m-85 -87.62 -2.88 58.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.918 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -76.53 -33.18 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 162.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 26.3 mt-30 -79.54 -12.64 59.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.92 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 22' ' ' SER . 15.4 tp -155.71 44.28 0.45 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.799 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.469 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 2.3 m-85 -37.92 -83.93 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 55.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 3.3 t-20 -46.64 -37.22 7.91 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -151.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB3' HD11 ' A' ' 19' ' ' LEU . 32.3 t -60.52 -24.05 65.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.438 0.563 . . . . 0.0 111.195 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -110.75 16.94 21.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.435 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 3.0 t70 -129.97 139.52 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.1 0.476 . . . . 0.0 111.558 -175.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -97.99 34.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p 53.7 34.49 19.03 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.794 0.837 . . . . 0.0 111.436 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.4 ttp -163.2 21.33 0.08 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.21 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 30' ' ' HIS . 6.5 m -88.92 -47.88 7.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.14 177.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.88 -40.47 1.64 Allowed Glycine 0 C--N 1.333 0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.275 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.503 ' HB3' HG23 ' A' ' 66' ' ' THR . 36.7 p-80 -147.55 152.8 38.58 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 83.8 mt -95.14 157.18 16.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 p -90.44 169.6 10.92 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.618 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.55 -64.84 2.91 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.946 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -49.69 -45.04 33.41 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.705 2.27 . . . . 0.0 112.721 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.71 -54.98 40.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.865 0.364 . . . . 0.0 111.066 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.495 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -62.09 -47.55 84.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.15 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.11 -33.49 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.965 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.531 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.8 m -65.58 -41.67 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.57 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.79 -36.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.106 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 65.6 mt -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.683 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.15 -17.32 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.751 -175.287 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 38' ' ' THR . 93.0 mt-30 -63.02 -16.15 58.82 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.84 0.352 . . . . 0.0 111.484 -178.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.3 t -75.66 -6.36 50.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.921 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m 66.45 15.52 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.885 0.474 . . . . 0.0 111.668 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.72 151.21 67.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.04 135.87 44.5 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.902 2.402 . . . . 0.0 111.847 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.1 86.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.068 0.461 . . . . 0.0 109.93 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.46 -32.57 66.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.353 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' ' 47' ' ' GLN . 91.6 mt -61.59 -44.01 97.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.38 177.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.461 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 67.1 m -60.62 -49.14 78.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.23 -42.83 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -57.46 -50.66 72.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.058 0.456 . . . . 0.0 109.932 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.35 -31.97 73.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.285 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 52' ' ' SER . 72.3 mt -70.09 -36.09 74.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.473 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -94.29 -20.76 19.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.564 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.3 123.89 20.78 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 111.445 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.62 -58.99 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.221 0.534 . . . . 0.0 109.575 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -165.68 39.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.437 ' C ' ' H ' ' A' ' 63' ' ' GLY . 15.5 mm-40 -86.93 -51.23 6.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.062 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 75.58 -35.42 0.27 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.292 0.995 . . . . 0.0 110.906 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 61' ' ' GLN . . . -155.05 34.84 0.66 Allowed Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.284 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HE2' ' OE1' ' A' ' 61' ' ' GLN . 35.3 mtmm -146.47 161.22 40.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD13 ' HB1' ' A' ' 36' ' ' ALA . 13.3 mt -152.03 115.88 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.432 0.457 . . . . 0.0 109.813 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.503 HG23 ' HB3' ' A' ' 30' ' ' HIS . 72.7 p -76.54 175.93 8.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.54 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -55.11 -51.59 65.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 111.584 -175.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.82 -29.63 68.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.708 -176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' HB3' HD23 ' A' ' 65' ' ' LEU . 47.2 mt-10 -74.42 -43.85 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.232 0.539 . . . . 0.0 109.932 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.36 -41.97 85.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 67' ' ' ALA . 75.5 mt -59.9 -44.24 93.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.86 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD23 ' HD3' ' A' ' 96' ' ' PRO . 57.6 tp -62.24 -49.12 76.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.1 85.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.522 ' O ' ' HB ' ' A' ' 77' ' ' ILE . 93.4 mmm -69.85 -28.34 65.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.327 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.51 -34.08 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.984 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.28 -29.49 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.522 ' HB ' ' O ' ' A' ' 74' ' ' MET . 31.2 mm -56.57 -48.61 80.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.304 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.8 -44.42 73.76 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.604 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.08 -51.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.753 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.21 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.29 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.4 ttt -63.99 -21.01 66.31 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.2 t -90.36 3.36 53.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.305 0.574 . . . . 0.0 110.267 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 19.49 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 16.3 mm100 -95.82 144.65 28.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.612 0.244 . . . . 0.0 110.99 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 5.1 Cg_exo -74.37 146.53 35.58 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.921 2.414 . . . . 0.0 111.862 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 84.7 mt -85.34 143.9 39.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.153 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.0 Cg_exo -70.28 153.08 66.86 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.535 2.157 . . . . 0.0 111.904 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.02 -22.96 16.56 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.579 2.186 . . . . 0.0 111.801 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.63 150.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.467 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.0 tp -99.91 141.25 22.42 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 15.9 Cg_exo -71.25 153.33 61.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.535 2.157 . . . . 0.0 111.888 174.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 23.7 Cg_exo -64.52 -29.74 61.57 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.929 2.419 . . . . 0.0 112.779 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.94 -13.8 61.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -91.24 -16.24 27.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.954 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.75 123.18 87.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.177 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.497 ' HD3' HD23 ' A' ' 72' ' ' LEU . 22.0 Cg_endo -61.57 154.42 59.86 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.762 2.308 . . . . 0.0 112.62 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.25 156.54 24.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.106 2.538 . . . . 0.0 112.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m 69.61 -53.78 0.6 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.375 0.67 . . . . 0.0 111.848 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -65.03 -9.51 22.51 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.691 0.397 . . . . 0.0 111.908 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -67.47 -22.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.195 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -146.4 -28.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -85.05 85.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.18 0.515 . . . . 0.0 110.663 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -133.31 6.01 3.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.017 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.0 tt -101.67 116.25 32.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.872 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -128.86 134.5 48.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.586 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -122.82 102.29 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -108.23 134.84 50.51 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -169.49 145.05 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.68 0.276 . . . . 0.0 110.454 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -150.54 154.98 38.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.14 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -81.06 132.74 35.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.574 173.383 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.476 0.472 0 N-CA-C 110.438 -0.639 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.45 99.35 0.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.569 2.179 . . . . 0.0 111.627 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.26 121.43 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.39 147.23 24.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.122 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.94 15.06 15.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.346 0.593 . . . . 0.0 110.306 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -109.03 120.69 43.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -174.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.4 69.33 9.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.188 0.518 . . . . 0.0 112.016 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.33 129.14 14.28 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.01 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.83 136.11 22.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.327 2.685 . . . . 0.0 112.839 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.7 tt0 -59.68 -42.18 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.153 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -57.87 -34.14 69.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -71.69 -39.11 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.018 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -76.97 -32.29 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 0.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 73.6 mt -60.32 -42.61 95.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.295 171.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 45.4 tttp -58.4 -39.48 79.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.765 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.503 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 81.2 t80 -77.98 -32.79 51.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 120.216 -0.594 . . . . 0.0 112.139 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.7 ttp180 -58.0 -24.3 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.073 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 5.2 mt-30 -74.25 -14.13 60.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.199 -1.364 . . . . 0.0 112.4 176.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 tp -161.67 43.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.644 0.778 . . . . 0.0 109.912 -167.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -39.59 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 120.039 3.348 . . . . 0.0 120.039 57.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.46 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.7 t-20 -46.09 -43.57 14.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -151.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 m -67.48 -23.77 65.52 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -112.69 -5.76 13.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.91 127.15 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.248 0.547 . . . . 0.0 111.106 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' C ' ' HG1' ' A' ' 26' ' ' THR . 0.0 OUTLIER -137.98 75.54 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.2 177.282 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.457 ' HG1' ' C ' ' A' ' 25' ' ' LYS . 55.4 p 51.53 43.0 29.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.507 -178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.9 ttt -91.17 154.62 19.2 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -78.8 51.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.41 -6.29 38.57 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 114.296 0.479 . . . . 0.0 114.296 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.574 ' CB ' ' HA ' ' A' ' 66' ' ' THR . 27.7 p-80 -148.71 150.01 32.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.214 0.507 . . . . 0.0 111.495 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.16 165.18 13.27 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.01 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.9 p -85.91 166.06 16.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.504 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.27 -63.75 3.81 Favored Glycine 0 N--CA 1.451 -0.332 0 O-C-N 123.639 0.587 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.13 -46.58 32.92 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.922 2.415 . . . . 0.0 113.061 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.421 HE21 ' HB3' ' A' ' 35' ' ' GLN . 5.9 mt-30 -61.86 -43.1 99.53 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.674 0.215 . . . . 0.0 111.362 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.559 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.72 -48.13 80.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.317 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -64.57 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.4 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.579 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 80.2 m -59.28 -53.35 59.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.543 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.51 -36.55 77.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.413 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.9 mt -60.75 -45.1 95.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.516 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 86.6 mmm -67.62 -22.94 65.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 38' ' ' THR . 72.9 mm-40 -67.7 -18.6 64.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.025 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -69.43 -21.89 63.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.489 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.8 m 68.56 24.42 6.97 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.565 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 HD22 ' HG2' ' A' ' 81' ' ' MET . 77.5 mt -81.02 164.11 52.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.818 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 12.4 Cg_endo -57.97 128.78 30.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.736 2.29 . . . . 0.0 112.497 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -34.23 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.691 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.68 86.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.003 0.43 . . . . 0.0 110.739 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -43.25 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.135 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.88 -39.46 81.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.398 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.02 94.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 t -70.2 -45.69 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.008 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.75 -42.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -59.46 -50.95 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.653 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.37 -38.02 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.554 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.54 -35.25 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.42 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -71.72 -48.04 49.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.024 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -73.54 111.15 8.41 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.0 -37.57 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.405 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 18.0 t70 -79.61 -28.68 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.092 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 78.7 mt-30 70.59 37.97 1.37 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.782 0.801 . . . . 0.0 109.366 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.07 -31.59 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.446 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.73 26.95 5.12 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.141 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -140.91 -178.29 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.5 mt -144.42 116.95 8.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.989 0.181 . . . . 0.0 110.663 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.574 ' HA ' ' CB ' ' A' ' 30' ' ' HIS . 67.4 p -72.25 174.19 7.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.622 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.75 -53.59 53.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 45.8 mt-10 -67.7 -29.01 68.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.039 -174.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.5 -42.99 61.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.536 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -63.01 -33.45 75.46 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.535 176.854 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 67' ' ' ALA . 63.2 mt -57.44 -47.82 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.059 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 66.7 tp -59.3 -43.92 92.57 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.182 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.05 -48.88 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.531 ' HE1' ' HA ' ' A' ' 74' ' ' MET . 3.3 mmt -58.05 -39.31 78.13 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.907 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 79' ' ' VAL . 68.8 t60 -65.31 -41.48 94.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 87.3 mt -69.3 -38.19 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 73' ' ' ALA . 32.0 mm -58.45 -46.52 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.94 -42.84 99.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.913 0.387 . . . . 0.0 110.597 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 75' ' ' HIS . 75.7 t -61.86 -48.97 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.855 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.1 98.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.539 ' HG2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.42 -36.09 77.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 177.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -72.74 -18.57 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.3 27.86 10.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.256 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.45 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 79.4 mt-30 -103.34 144.39 28.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.6 Cg_exo -69.43 149.88 69.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.993 2.462 . . . . 0.0 113.024 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -102.94 146.92 33.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.846 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.86 154.41 30.0 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.443 2.096 . . . . 0.0 112.319 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.41 -27.41 16.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.412 2.074 . . . . 0.0 111.765 176.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.22 147.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.566 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 16.8 tp -92.38 141.56 24.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.1 Cg_exo -77.11 153.43 32.09 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.741 2.294 . . . . 0.0 111.784 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -60.15 -33.89 94.69 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.886 2.391 . . . . 0.0 112.483 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.85 -28.0 69.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.631 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -90.2 -4.39 57.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.444 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.414 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 48.6 mt -85.2 126.44 67.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 39.9 Cg_exo -57.22 153.19 41.1 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.931 2.421 . . . . 0.0 112.913 -176.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.21 157.41 35.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.823 2.349 . . . . 0.0 111.91 179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m 71.74 -54.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.163 0.585 . . . . 0.0 111.269 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -71.75 -26.21 62.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.8 -11.1 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.258 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -92.05 72.21 5.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.86 109.18 17.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -144.08 -59.48 0.39 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.588 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 123.87 37.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.252 -176.249 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.83 88.15 4.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.056 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 60.8 m80 61.16 -177.2 0.11 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.669 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -154.39 157.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.418 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -127.44 111.75 14.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.948 0.404 . . . . 0.0 110.672 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -158.64 137.84 11.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.538 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -98.61 157.65 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.889 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.136 178.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 8.8 Cg_endo . . . . . 0 N--CA 1.482 0.824 0 N-CA-C 110.667 -0.551 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 15.4 Cg_exo -69.34 109.29 2.19 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.819 2.346 . . . . 0.0 111.848 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.29 114.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.401 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.81 26.19 11.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.896 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.7 87.71 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.83 139.02 39.27 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.92 13.88 0.34 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.408 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.0 p -117.01 126.76 27.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 53.4 Cg_exo -53.98 143.46 61.13 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.106 2.537 . . . . 0.0 112.961 -176.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.537 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.9 pt20 -66.51 -29.76 69.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.534 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -64.07 -43.15 96.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.2 . . . . 0.0 110.862 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 p -72.03 -32.77 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.819 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 78.9 mtp180 -61.0 -45.54 94.42 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.258 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 82.1 mt -58.63 -40.85 84.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.394 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.39 -49.21 74.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.588 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' HB2' HG12 ' A' ' 71' ' ' ILE . 20.6 m-85 -79.0 -20.38 49.23 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.522 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -66.21 -29.31 69.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 170.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.537 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.5 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.316 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD13 ' HB2' ' A' ' 22' ' ' SER . 10.6 tp -156.76 40.53 0.34 Allowed 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.15 -172.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -37.01 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 59.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.537 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 27.6 t-20 -47.01 -45.92 21.51 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -153.452 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.492 ' HB2' HD13 ' A' ' 19' ' ' LEU . 25.4 m -59.89 -24.79 64.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 118.196 0.453 . . . . 0.0 111.758 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -93.19 -15.64 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 39.0 t70 -89.9 -3.16 58.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.382 0.611 . . . . 0.0 110.943 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -56.11 -35.71 67.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.417 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 26' ' ' THR . 10.9 m -118.54 9.18 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.51 0.672 . . . . 0.0 110.287 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.709 ' HG3' ' H ' ' A' ' 28' ' ' SER . 6.9 tpt -96.8 -166.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 -176.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.709 ' H ' ' HG3' ' A' ' 27' ' ' MET . 13.0 t -132.04 45.2 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 -173.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.76 87.5 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.502 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.57 ' HB3' HG21 ' A' ' 66' ' ' THR . 9.0 p-80 -168.3 148.86 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.737 0.303 . . . . 0.0 110.334 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 HD21 ' HG2' ' A' ' 27' ' ' MET . 89.4 mt -99.33 163.43 12.54 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.338 175.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -98.68 169.57 9.39 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.709 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.41 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -50.83 -65.83 2.81 Favored Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.63 0.581 . . . . 0.0 113.593 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 -39.96 88.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.912 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.49 -42.67 74.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.953 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.513 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -62.8 -45.41 92.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.009 0.433 . . . . 0.0 110.483 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -61.59 -29.95 70.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.914 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.9 m -61.5 -42.87 99.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.566 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.34 -40.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 86.5 mt -58.48 -36.43 73.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.169 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ttt -64.65 -21.87 66.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.594 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -76.03 3.44 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.748 0.309 . . . . 0.0 111.572 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 p -93.76 -11.59 31.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.289 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 m 63.35 23.84 13.94 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.436 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.9 149.8 60.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.12 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.93 146.92 96.96 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.914 2.409 . . . . 0.0 111.829 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -58.84 -33.95 71.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.938 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.88 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.081 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.54 -36.78 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.58 -44.62 96.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.015 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.69 87.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.394 . . . . 0.0 110.514 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 m -62.76 -49.56 74.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.797 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.508 HD11 HD12 ' A' ' 77' ' ' ILE . 88.3 mt -61.87 -42.04 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 178.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.41 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 51.9 t-105 -55.93 -54.08 49.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -66.47 -30.35 70.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.328 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -73.12 -28.37 62.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -93.69 -54.49 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.219 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 62' ' ' ASP . 8.5 t70 -63.21 117.48 6.63 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.45 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.72 -67.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.258 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.73 17.82 2.16 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 111.69 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.504 HE22 ' HG3' ' A' ' 69' ' ' GLU . 41.2 mt-30 -95.88 -42.53 8.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.693 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.457 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 19.8 t70 57.02 23.47 8.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.641 177.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.96 22.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.971 -1.109 . . . . 0.0 114.072 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -149.3 133.3 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.394 0.597 . . . . 0.0 109.771 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.513 HD13 ' HB1' ' A' ' 36' ' ' ALA . 13.7 mt -118.7 115.3 24.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.749 0.309 . . . . 0.0 110.227 175.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.57 HG21 ' HB3' ' A' ' 30' ' ' HIS . 69.3 p -88.32 -169.11 2.43 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.89 90.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.72 0.295 . . . . 0.0 110.514 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -65.42 -43.88 89.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.325 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.504 ' HG3' HE22 ' A' ' 61' ' ' GLN . 5.1 mm-40 -73.0 -43.04 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.616 -173.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.477 ' CE2' ' HG3' ' A' ' 74' ' ' MET . 58.1 t80 -60.07 -45.01 94.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.966 -176.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.533 HG12 ' HB2' ' A' ' 16' ' ' TYR . 74.3 mt -62.32 -40.48 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.745 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.6 -53.14 52.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.505 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.38 70.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.764 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.477 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 95.5 mmm -66.16 -27.95 68.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -175.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -71.07 -34.33 71.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.44 HD13 HG21 ' A' ' 53' ' ' ILE . 95.5 mt -69.12 -35.49 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.801 175.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.508 HD12 HD11 ' A' ' 53' ' ' ILE . 1.4 mp -57.68 -42.69 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.462 175.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.8 -48.47 81.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.686 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG13 ' HB2' ' A' ' 84' ' ' GLN . 52.5 t -62.71 -46.4 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.46 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -64.63 -20.38 66.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.069 0.461 . . . . 0.0 111.055 177.771 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 t -87.28 5.75 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.25 26.71 69.77 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.335 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.431 ' HB2' HG13 ' A' ' 79' ' ' VAL . 28.1 mm-40 -89.87 144.05 31.01 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.585 0.231 . . . . 0.0 110.553 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.4 Cg_exo -73.22 138.41 27.67 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.961 2.441 . . . . 0.0 111.842 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 94.8 mt -91.76 143.94 28.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.291 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.4 Cg_exo -75.44 154.31 40.35 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.01 2.474 . . . . 0.0 112.084 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.41 -37.14 74.07 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.4 m -136.25 142.36 38.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.898 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -82.74 142.37 45.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.66 152.92 69.93 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.18 1.92 . . . . 0.0 111.842 176.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.37 -19.13 65.19 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.08 2.52 . . . . 0.0 112.924 -177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.93 -24.74 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -94.48 -14.54 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 124.95 80.05 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 152.8 40.41 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.584 2.189 . . . . 0.0 112.686 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.428 ' C ' ' H ' ' A' ' 99' ' ' PHE . 31.8 Cg_exo -59.05 143.73 99.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.874 2.382 . . . . 0.0 111.897 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.8 m 73.51 -22.56 0.23 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.268 0.627 . . . . 0.0 111.994 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.428 ' H ' ' C ' ' A' ' 97' ' ' PRO . 95.9 m-85 -95.25 5.73 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 110.051 175.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -77.49 6.18 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.685 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -132.67 117.11 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 32.7 t -122.62 95.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.042 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -124.28 84.59 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.522 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -174.79 150.53 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.246 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -92.18 -46.13 7.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.596 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.6 t60 59.62 28.82 18.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.806 0.813 . . . . 0.0 109.714 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -119.74 32.83 5.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.646 -172.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -63.7 -15.38 58.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.411 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -101.05 112.04 24.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -60.66 111.77 1.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 112.329 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 . . . . . 0 C--O 1.243 0.723 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.304 172.024 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.478 0.597 0 N-CA-C 110.764 -0.514 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -80.96 -178.31 4.31 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.752 2.301 . . . . 0.0 111.804 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.85 103.6 12.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 69.76 163.97 0.25 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.982 0.801 . . . . 0.0 110.453 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.17 68.24 8.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.25 0.548 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -161.92 119.96 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.826 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.88 49.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -171.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.622 HG12 ' HD3' ' A' ' 13' ' ' ARG . 7.6 p -140.13 130.79 14.04 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.724 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.541 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.1 Cg_endo -50.04 129.41 24.88 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.477 2.785 . . . . 0.0 113.197 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.6 -39.94 74.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.521 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -55.48 -45.43 76.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -70.96 -34.04 71.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.622 ' HD3' HG12 ' A' ' 8' ' ' VAL . 20.1 mtm180 -62.6 -47.02 85.64 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -51.21 63.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -59.41 -41.78 90.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.19 -175.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.598 ' HD1' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -98.45 -2.0 40.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.473 ' HB2' HD11 ' A' ' 71' ' ' ILE . 22.6 ttt180 -77.82 -27.74 50.09 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 162.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.56 -12.43 60.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 113.91 -1.495 . . . . 0.0 111.962 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.515 HD12 ' HB3' ' A' ' 22' ' ' SER . 14.1 tp -158.67 44.68 0.28 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.686 -174.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -37.21 -80.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 58.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -47.26 -47.82 24.8 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -154.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.515 ' HB3' HD12 ' A' ' 19' ' ' LEU . 38.8 t -61.75 -23.23 66.03 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.035 -0.416 . . . . 0.0 111.995 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -92.73 1.65 57.16 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.69 142.42 44.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' HB2' ' A' ' 28' ' ' SER . 45.8 pttt -61.99 -41.33 97.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.682 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.5 m -170.89 -63.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.2 ttt -146.25 69.2 1.2 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.491 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 18.5 t -91.16 -50.47 5.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.831 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.14 61.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.203 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.51 ' HB3' HG23 ' A' ' 66' ' ' THR . 23.0 p-80 -158.31 155.03 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.942 0.401 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -106.05 147.51 28.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.7 p -97.34 179.02 5.03 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.53 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -44.62 -64.82 1.95 Allowed Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.751 0.657 . . . . 0.0 113.598 -178.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.95 -47.52 22.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.553 2.169 . . . . 0.0 113.174 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.17 -44.39 92.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB3' HD12 ' A' ' 65' ' ' LEU . . . -64.63 -44.17 91.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.446 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -62.26 -30.42 71.1 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.527 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.1 m -61.04 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.743 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.16 -36.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.168 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.0 mt -59.58 -37.35 78.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.333 0.587 . . . . 0.0 110.64 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.73 -26.52 67.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.219 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.49 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.1 mm-40 -77.85 -9.27 58.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.0 t -75.29 -14.85 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.344 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m 69.85 21.3 6.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.325 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.99 149.61 40.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.448 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 51.7 Cg_endo -70.37 158.87 54.84 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.499 2.132 . . . . 0.0 112.221 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.46 -33.22 73.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.62 72.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.948 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.9 mm100 -73.49 -42.84 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.419 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 40' ' ' LEU . 77.5 mt -59.43 -41.57 89.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.682 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.83 92.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.935 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.8 t -63.15 -45.29 92.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.967 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.9 -45.7 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.744 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.53 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 52.0 t-105 -59.16 -50.3 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.722 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -36.18 76.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.194 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 mt -74.18 -38.88 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.819 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.3 t -74.54 -54.53 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.856 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -61.76 120.31 10.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.12 -35.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.922 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.38 -5.59 10.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.916 0.389 . . . . 0.0 111.452 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 67.56 32.77 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.524 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.57 -34.13 53.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.786 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.02 32.89 3.15 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -136.02 148.73 48.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 110.488 177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 36' ' ' ALA . 26.7 mt -131.57 105.94 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.389 172.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.51 HG23 ' HB3' ' A' ' 30' ' ' HIS . 45.0 p -73.13 -177.36 2.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.462 ' HB1' ' HG3' ' A' ' 17' ' ' ARG . . . -56.35 -52.83 63.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 111.46 -177.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.525 ' HA ' HD13 ' A' ' 71' ' ' ILE . 45.8 mt-10 -69.22 -28.06 66.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.96 -177.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.16 -36.37 64.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 0.0 109.826 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.598 ' HE1' ' HD1' ' A' ' 16' ' ' TYR . 47.0 t80 -59.03 -40.69 85.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.869 174.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 68' ' ' GLU . 72.2 mt -60.12 -46.09 94.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.446 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.84 -47.18 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.721 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.92 87.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.018 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.9 mmt -64.84 -32.89 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.423 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' VAL . 84.1 t60 -66.25 -37.79 86.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.71 -38.47 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.142 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.13 -44.63 98.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.77 -44.61 86.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.988 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 75' ' ' HIS . 73.4 t -62.52 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.662 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.07 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.389 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -35.2 78.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.34 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -84.68 10.43 11.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.083 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.01 77.75 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.152 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.413 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . 28.0 mm-40 -92.65 144.43 28.66 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 146.21 37.98 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 113.269 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.92 143.34 26.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.004 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.7 Cg_endo -79.76 155.93 24.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.797 2.332 . . . . 0.0 112.742 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -75.35 -33.51 4.2 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.763 2.308 . . . . 0.0 111.062 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 t -124.36 149.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 17.8 tp -101.53 139.94 20.82 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.49 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.1 Cg_exo -79.54 152.95 23.34 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.706 2.271 . . . . 0.0 111.535 176.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.53 -29.24 77.79 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.313 2.675 . . . . 0.0 113.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.876 0.369 . . . . 0.0 110.818 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.86 -14.74 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 91' ' ' PRO . 59.9 mt -77.17 128.08 81.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 45.3 Cg_exo -56.86 152.59 41.98 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.39 2.06 . . . . 0.0 111.969 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 13.5 Cg_exo -69.41 158.66 56.61 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.873 2.382 . . . . 0.0 112.076 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m 73.02 -54.32 0.7 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.781 0.675 . . . . 0.0 111.921 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -60.2 -15.39 23.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.636 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.78 -56.96 10.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.541 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -135.1 58.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.47 10.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.436 0.636 . . . . 0.0 109.72 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -90.25 124.53 34.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.266 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.5 tp -115.98 94.4 4.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -128.47 114.87 17.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.593 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -138.55 8.29 2.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.007 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -56.92 113.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.03 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -143.43 165.14 28.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -123.61 168.19 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 m170 67.84 151.92 0.08 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.822 0.82 . . . . 0.0 112.999 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.11 170.54 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo . . . . . 0 N--CA 1.479 0.633 0 N-CA-C 110.245 -0.713 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.81 115.02 2.16 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.957 2.438 . . . . 0.0 112.671 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.63 122.22 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.313 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 69.95 4.4 4.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.766 175.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -95.61 106.4 18.49 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t90 71.99 114.1 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 O-C-N 124.316 1.01 . . . . 0.0 109.483 -172.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.448 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -59.81 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -168.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.11 120.9 65.55 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.641 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.22 134.49 44.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.014 2.476 . . . . 0.0 112.611 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.508 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 15.3 pt20 -51.58 -47.79 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.274 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -59.69 -43.6 93.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.777 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.475 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 17.3 m -70.54 -41.42 72.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.508 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptt180 -72.96 -30.83 64.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.169 -174.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -66.39 -36.18 82.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 110.278 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HB3' ' O ' ' A' ' 12' ' ' SER . 80.9 tttt -60.22 -47.08 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.03 175.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.433 ' HD2' HG22 ' A' ' 71' ' ' ILE . 5.3 m-85 -74.79 -27.9 60.5 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.176 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.609 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -65.07 -27.32 68.69 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -78.55 -13.22 59.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.266 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 22' ' ' SER . 8.5 tp -153.82 38.58 0.47 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.79 -173.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.442 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 19.4 t80 -34.77 -79.33 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 61.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 2.1 t-20 -47.24 -47.76 24.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -154.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.566 ' HB3' HD13 ' A' ' 19' ' ' LEU . 24.1 t -64.28 -24.43 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -92.0 -11.49 35.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.691 0.281 . . . . 0.0 110.964 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -94.89 145.94 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.075 0.464 . . . . 0.0 110.396 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.675 ' HG3' ' HG2' ' A' ' 27' ' ' MET . 14.2 ptpt -87.96 27.27 1.2 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p 52.29 36.07 18.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.619 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.675 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 26.2 ptm -156.42 11.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.647 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -103.14 -52.24 3.08 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.725 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 -13.67 58.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.707 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.555 ' HB3' HG23 ' A' ' 66' ' ' THR . 17.8 p-80 -155.81 150.46 26.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 0.0 110.303 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 85.3 mt -97.22 146.4 25.14 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -73.83 165.63 24.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.697 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.61 -62.9 3.75 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.521 174.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.32 -46.45 31.29 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.903 2.402 . . . . 0.0 112.803 177.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.64 -52.35 66.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.506 ' HB2' HD13 ' A' ' 65' ' ' LEU . . . -56.82 -47.22 80.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.821 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' O ' ' HG2' ' A' ' 41' ' ' MET . 23.9 mtm180 -67.92 -37.28 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.891 -177.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.52 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 89.8 m -62.11 -41.35 98.13 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.04 -38.42 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.266 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 58.6 mt -60.31 -43.73 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.502 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 93.6 mmm -61.12 -24.41 66.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.487 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 38' ' ' THR . 15.3 mm-40 -70.08 -10.25 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.712 -176.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -77.01 -16.3 59.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 110.214 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m 68.22 13.3 9.04 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.064 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.91 148.14 63.83 Favored Pre-proline 0 N--CA 1.454 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.127 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.501 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 31.8 Cg_endo -65.62 156.04 65.88 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.688 2.259 . . . . 0.0 112.761 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -30.77 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.114 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.501 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.7 mm100 -73.72 -45.0 54.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.02 177.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.96 -45.24 90.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.791 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.65 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.28 -47.31 77.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.483 HG22 HD11 ' A' ' 76' ' ' LEU . 87.3 mt -62.84 -42.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -60.27 -50.19 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.6 -33.89 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.195 0.522 . . . . 0.0 110.538 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.3 -37.93 66.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.375 176.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.5 ' HA ' HD22 ' A' ' 72' ' ' LEU . 23.0 t -79.26 -42.76 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.882 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -81.98 99.31 9.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 99' ' ' PHE . 4.2 mp -74.88 -26.19 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.501 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -117.56 5.6 12.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 46.72 45.76 14.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.317 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.72 -19.83 30.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.58 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.33 17.83 58.25 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.722 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -137.27 151.62 48.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.506 HD13 ' HB2' ' A' ' 36' ' ' ALA . 24.9 mt -122.87 109.33 14.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.623 0.249 . . . . 0.0 110.88 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.555 HG23 ' HB3' ' A' ' 30' ' ' HIS . 45.3 p -71.35 -174.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.494 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.77 -53.7 54.95 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.783 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.14 -36.82 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.444 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -72.01 -43.51 64.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.945 0.403 . . . . 0.0 110.216 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.626 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 52.7 t80 -63.81 -37.18 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 67' ' ' ALA . 58.3 mt -55.82 -45.93 79.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.617 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.5 HD22 ' HA ' ' A' ' 57' ' ' SER . 65.4 tp -61.57 -48.08 82.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.876 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.72 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.626 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 2.0 mmt -63.28 -33.13 74.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.348 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.435 ' O ' HG21 ' A' ' 79' ' ' VAL . 74.6 t60 -69.14 -39.89 78.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.114 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.483 HD11 HG22 ' A' ' 53' ' ' ILE . 99.1 mt -64.07 -36.19 83.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.164 176.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -60.66 -50.8 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.41 -43.84 84.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.919 0.39 . . . . 0.0 110.582 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 75' ' ' HIS . 95.9 t -63.05 -47.98 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.126 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.53 ' HB3' HD23 ' A' ' 86' ' ' LEU . . . -66.08 -27.87 68.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 111.072 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.4 mmm -67.86 -23.33 65.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.267 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -87.48 -0.27 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.195 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.4 7.69 63.32 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.031 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.463 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -75.92 144.02 75.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.731 0.265 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.1 Cg_exo -74.17 133.9 18.56 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.682 2.255 . . . . 0.0 112.066 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 80' ' ' ALA . 91.9 mt -81.43 143.41 51.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.8 Cg_endo -82.8 154.03 15.17 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.527 2.151 . . . . 0.0 112.258 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.7 Cg_exo -75.19 -30.54 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.99 151.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.002 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 21.1 tp -99.28 142.25 24.28 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -72.87 153.3 53.04 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.596 2.197 . . . . 0.0 111.784 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.479 ' HA ' HD13 ' A' ' 95' ' ' ILE . 27.6 Cg_exo -62.52 -27.4 76.77 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.046 2.497 . . . . 0.0 113.059 -175.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.448 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 42.5 mp0 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.24 -4.72 51.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.164 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.479 HD13 ' HA ' ' A' ' 92' ' ' PRO . 69.4 mt -86.38 125.68 66.93 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.58 154.54 64.28 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.887 2.391 . . . . 0.0 112.088 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 99' ' ' PHE . 24.3 Cg_endo -62.15 157.5 44.3 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.693 2.262 . . . . 0.0 112.124 179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 m 75.01 -27.83 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.573 0.749 . . . . 0.0 111.654 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.513 ' HB3' HG23 ' A' ' 59' ' ' ILE . 94.9 m-85 -91.24 -0.52 57.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.241 175.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.48 -47.19 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.952 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -162.33 148.84 13.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.2 t 69.45 91.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.763 0.664 . . . . 0.0 110.975 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -89.22 -38.76 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.552 HD13 ' N ' ' A' ' 105' ' ' GLU . 2.6 pp -144.95 -43.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.895 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.552 ' N ' HD13 ' A' ' 104' ' ' LEU . 7.6 tp10 57.84 104.09 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.537 0.684 . . . . 0.0 110.938 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -104.84 16.38 26.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.344 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -109.9 109.87 20.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.787 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -73.24 105.68 4.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -75.24 103.69 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.08 -170.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -102.21 179.26 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.62 -0.705 . . . . 0.0 110.211 -179.541 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.8 Cg_endo . . . . . 0 N--CA 1.476 0.478 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 21.7 Cg_exo -66.78 128.91 19.79 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.889 2.393 . . . . 0.0 111.695 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.31 15.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.885 0.85 . . . . 0.0 109.666 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.84 79.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -170.05 157.8 6.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.774 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.417 ' C ' ' H ' ' A' ' 8' ' ' VAL . 2.1 t90 -69.94 126.53 29.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.14 29.69 0.09 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' H ' ' C ' ' A' ' 6' ' ' TRP . 4.5 p -122.57 132.53 24.25 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.419 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 50.7 Cg_exo -53.76 146.96 42.66 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.998 2.465 . . . . 0.0 112.473 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 48.7 tt0 -62.54 -42.7 99.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -59.66 -38.02 80.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 110.193 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.87 -38.6 70.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.589 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.552 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 28.9 mtp180 -55.3 -50.83 68.56 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.64 -39.61 91.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.188 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.98 -48.0 83.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.118 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.532 ' HB2' HG21 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.01 -25.48 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.221 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -69.72 -24.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.8 mt-30 -72.35 -14.01 61.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.814 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.574 ' O ' ' HE2' ' A' ' 70' ' ' PHE . 8.4 tp -155.46 43.79 0.45 Allowed 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.288 -170.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.517 ' CZ ' ' HG ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -40.19 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 120.507 3.521 . . . . 0.0 120.507 58.483 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.2 t-20 -46.47 -36.68 6.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -150.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.446 ' HB2' HD11 ' A' ' 19' ' ' LEU . 46.2 m -57.99 -24.28 57.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.006 0.821 . . . . 0.0 111.787 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -102.43 -12.64 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.444 ' HB2' ' HD2' ' A' ' 20' ' ' PHE . 23.8 t70 -82.61 130.14 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.697 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.38 20.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.38 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -133.45 -174.27 3.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.1 ttt -98.26 125.38 43.32 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 75.89 84.83 0.09 Allowed 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.91 83.71 0.05 OUTLIER Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.069 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.569 ' HB3' HG21 ' A' ' 66' ' ' THR . 4.1 p-80 -126.33 138.9 53.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.813 0.339 . . . . 0.0 110.766 168.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.517 ' HG ' ' CZ ' ' A' ' 20' ' ' PHE . 91.7 mt -103.53 160.72 14.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.88 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -86.32 174.52 8.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.767 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.82 -64.13 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.39 -41.59 71.83 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.762 2.308 . . . . 0.0 112.789 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -55.62 -53.54 55.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' HD12 ' A' ' 65' ' ' LEU . . . -59.83 -50.49 73.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.779 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -62.91 -34.73 78.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.424 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.5 m -66.02 -47.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.627 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.04 -38.25 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.167 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 57.8 mt -55.43 -45.7 76.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.306 177.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.02 -28.16 62.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.454 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' ' 38' ' ' THR . 74.0 mt-30 -80.07 7.57 8.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.7 m -80.4 -86.22 0.08 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.89 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -175.46 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.119 0.568 . . . . 0.0 111.231 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -105.97 145.7 31.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.131 -0.356 . . . . 0.0 111.738 -169.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 83.8 Cg_endo -79.07 171.02 16.98 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.93 2.42 . . . . 0.0 112.349 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.55 -31.53 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.795 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.39 80.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -72.8 -39.23 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.48 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 79.4 mt -58.57 -41.04 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.09 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.001 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -67.89 -42.73 80.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 HD11 HD11 ' A' ' 77' ' ' ILE . 82.8 mt -66.07 -42.65 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.747 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.9 -47.88 82.98 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -52.16 -41.64 62.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.315 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.5 mt -73.89 -41.53 62.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.939 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -77.72 -36.57 50.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.35 85.14 2.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.256 0.551 . . . . 0.0 109.554 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 99' ' ' PHE . 36.9 mm -72.28 -45.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.952 -172.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.17 11.35 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.003 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 43.99 38.17 2.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.969 0.908 . . . . 0.0 112.05 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -110.93 -7.95 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.307 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.31 27.5 55.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.845 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -137.09 127.3 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 36' ' ' ALA . 20.0 mt -101.74 113.11 26.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 -177.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.569 HG21 ' HB3' ' A' ' 30' ' ' HIS . 67.7 p -75.02 176.1 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.781 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.49 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.27 -53.28 55.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.607 0.241 . . . . 0.0 111.395 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.59 -35.8 78.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.66 -43.14 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.235 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HE2' ' O ' ' A' ' 19' ' ' LEU . 65.2 t80 -64.54 -39.57 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.559 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.532 HG21 ' HB2' ' A' ' 16' ' ' TYR . 89.7 mt -60.34 -43.08 92.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.061 0.457 . . . . 0.0 110.111 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 90' ' ' LEU . 63.8 tp -61.54 -46.46 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.257 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.06 -47.83 81.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.332 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.545 ' HA ' ' HE3' ' A' ' 74' ' ' MET . 30.8 mmt -59.18 -37.6 77.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.909 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' HG21 ' A' ' 79' ' ' VAL . 80.3 t60 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.329 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 98.6 mt -65.04 -36.07 83.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.499 ' O ' ' HB2' ' A' ' 81' ' ' MET . 27.3 mm -56.52 -51.07 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.726 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.06 -38.37 90.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.455 HG21 ' O ' ' A' ' 75' ' ' HIS . 91.9 t -63.03 -49.41 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.649 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.846 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.499 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.53 -28.68 69.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.465 175.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -79.86 -11.38 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.177 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.95 6.65 55.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.774 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -82.92 143.58 46.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.591 0.234 . . . . 0.0 110.758 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.33 150.1 22.21 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.474 2.116 . . . . 0.0 112.248 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 77.2 mt -110.54 143.45 28.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.472 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.5 Cg_exo -75.63 154.48 39.6 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.043 2.495 . . . . 0.0 112.134 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.21 -29.91 21.02 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 111.597 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.4 136.82 54.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.536 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CD2' HD23 ' A' ' 72' ' ' LEU . 22.0 tp -92.8 141.2 24.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.515 ' O ' HG13 ' A' ' 95' ' ' ILE . 25.6 Cg_exo -65.53 152.66 81.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.451 2.101 . . . . 0.0 111.951 174.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 17.2 Cg_exo -67.49 -22.84 44.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.874 2.382 . . . . 0.0 112.773 -175.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.92 -14.56 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.89 -19.87 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 91' ' ' PRO . 37.6 mt -83.26 123.81 76.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.061 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.68 153.17 63.9 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.296 1.998 . . . . 0.0 111.905 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.55 152.86 75.17 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.91 2.407 . . . . 0.0 112.094 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 m 73.3 -40.84 0.48 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 123.918 0.761 . . . . 0.0 111.742 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.527 ' HB3' HG21 ' A' ' 59' ' ' ILE . 88.5 m-85 -67.04 -19.38 65.67 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 110.831 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -61.99 -42.49 99.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.095 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 50.05 86.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.927 0.891 . . . . 0.0 113.089 172.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -99.92 118.94 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.337 0.589 . . . . 0.0 109.859 172.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -141.2 40.65 1.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.969 -175.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 46.3 tp -75.62 95.73 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.312 0.577 . . . . 0.0 111.006 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.49 153.11 39.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.8 m80 62.02 80.69 0.22 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.55 0.531 . . . . 0.0 110.405 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -126.7 97.71 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.103 0.478 . . . . 0.0 111.374 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -140.72 -57.81 0.52 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.6 t60 60.64 -88.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.442 -1.254 . . . . 0.0 112.381 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -175.52 133.36 0.29 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.679 0.276 . . . . 0.0 110.766 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 . . . . . 0 C--O 1.241 0.642 0 CA-C-O 118.499 -0.762 . . . . 0.0 108.998 169.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo . . . . . 0 N--CA 1.478 0.586 0 N-CA-C 110.379 -0.662 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.34 108.15 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.813 2.342 . . . . 0.0 113.234 -176.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.6 t 65.82 122.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.194 -0.912 . . . . 0.0 113.212 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.54 146.74 16.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.446 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -88.47 9.91 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.835 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -85.16 116.77 23.71 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.12 4.82 11.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.16 125.55 74.36 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.29 149.34 37.57 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.677 2.251 . . . . 0.0 112.75 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.71 -37.15 83.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.167 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -63.91 -42.69 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.527 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -62.78 -44.47 96.1 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.71 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -54.26 -54.23 42.86 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.41 -37.35 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.536 0.522 . . . . 0.0 111.591 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -49.44 76.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.039 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.07 -15.92 27.12 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.192 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 17' ' ' ARG . 23.6 ttt85 -68.84 -25.64 64.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -73.44 -14.8 61.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.27 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' A' ' 22' ' ' SER . 10.4 tp -156.85 40.13 0.33 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.354 -169.501 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.94 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 119.423 3.12 . . . . 0.0 119.423 60.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.08 -42.64 29.3 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.484 ' HB2' HD13 ' A' ' 19' ' ' LEU . 28.3 m -61.67 -30.95 71.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.379 0.536 . . . . 0.0 111.662 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -89.64 -26.67 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.052 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -66.56 129.76 40.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.283 0.563 . . . . 0.0 111.122 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -131.53 11.93 4.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.934 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -122.9 -4.73 8.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.213 -175.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.9 mtt 66.77 80.18 0.22 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.368 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.0 m 59.96 51.73 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.076 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 24.97 25.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.075 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.556 ' HB3' HG21 ' A' ' 66' ' ' THR . 7.1 p-80 52.95 169.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.888 1.275 . . . . 0.0 112.836 -176.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -106.88 160.27 15.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.69 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.6 p -87.37 168.91 12.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.107 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.92 -63.63 4.62 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.132 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.75 -45.75 30.46 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.8 2.333 . . . . 0.0 113.054 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.77 -48.4 80.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 110.833 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -57.8 -48.35 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.673 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 41' ' ' MET . 87.0 mtt180 -64.18 -36.35 83.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.541 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.4 m -63.42 -45.92 88.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.37 -33.68 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.276 0.56 . . . . 0.0 110.06 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 59.1 mt -59.08 -41.55 88.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.062 175.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 67.7 mtt -66.71 -21.42 66.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.832 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.54 -14.8 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.439 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.3 p -85.71 -15.77 41.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.381 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 64.98 16.6 10.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.472 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.38 151.92 87.73 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.888 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.8 142.21 83.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.056 2.504 . . . . 0.0 112.257 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -32.01 68.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.621 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.12 71.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.9 mm100 -59.83 -47.0 87.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.308 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.43 -41.98 86.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.538 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.68 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.855 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.94 -44.29 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.822 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.726 HD12 HD12 ' A' ' 77' ' ' ILE . 95.7 mt -61.27 -46.07 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.836 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -60.25 -49.69 76.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.41 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.05 -36.38 72.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.714 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 90' ' ' LEU . 55.5 mt -74.22 -39.08 63.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.862 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -77.43 -39.66 46.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.754 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.744 ' OD2' ' HA ' ' A' ' 61' ' ' GLN . 16.6 t70 -68.75 103.26 1.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.52 -65.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.788 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -113.22 21.25 15.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.324 0.583 . . . . 0.0 110.963 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.744 ' HA ' ' OD2' ' A' ' 58' ' ' ASP . 69.8 mt-30 68.39 85.9 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.382 177.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -133.42 -26.93 1.6 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.233 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.44 24.87 66.96 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.936 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -138.03 128.68 26.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 mt -94.6 115.29 27.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.896 0.379 . . . . 0.0 110.991 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.556 HG21 ' HB3' ' A' ' 30' ' ' HIS . 81.5 p -76.29 -170.32 1.43 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.069 173.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.44 -53.45 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.15 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -34.46 78.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.59 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.41 -41.1 63.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.936 0.398 . . . . 0.0 110.091 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.65 -40.96 98.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.472 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.15 -44.43 91.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.08 -49.57 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.698 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.97 51.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.942 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.432 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 11.9 mtp -68.85 -19.85 64.27 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.68 -177.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.52 -38.09 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.459 HD13 HG23 ' A' ' 53' ' ' ILE . 97.6 mt -64.53 -41.66 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.595 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.726 HD12 HD12 ' A' ' 53' ' ' ILE . 1.6 mp -59.9 -44.06 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 173.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.69 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.79 -44.67 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.797 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.523 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -59.92 -17.56 38.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.246 176.009 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 m -84.5 -1.81 56.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.405 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.82 -7.6 59.24 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.279 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -92.74 144.32 28.42 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-O 120.727 0.298 . . . . 0.0 111.308 -177.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 6.4 Cg_exo -74.85 174.53 12.58 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.103 2.535 . . . . 0.0 112.525 178.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.6 mt -120.55 154.58 56.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.916 -176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -61.76 153.88 64.6 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.138 2.559 . . . . 0.0 112.488 177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.87 -31.81 23.98 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.684 2.256 . . . . 0.0 112.407 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.08 152.04 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.76 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.476 ' HB2' HD22 ' A' ' 56' ' ' LEU . 19.2 tp -83.71 140.78 41.04 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.4 Cg_exo -76.73 154.81 34.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.765 2.31 . . . . 0.0 112.136 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.86 -21.3 71.97 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.91 2.407 . . . . 0.0 112.749 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.18 -15.05 61.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -108.75 10.45 26.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.275 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.588 HG23 ' HB3' ' A' ' 100' ' ' ARG . 47.2 mt -89.25 117.77 68.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.83 151.34 84.67 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.586 2.19 . . . . 0.0 112.492 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.95 -36.09 32.09 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 111.561 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.0 m -73.24 0.77 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.73 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.07 -36.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.588 ' HB3' HG23 ' A' ' 95' ' ' ILE . 12.4 ptm180 -62.22 -33.4 74.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.66 0.267 . . . . 0.0 110.929 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -172.85 91.53 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -116.99 5.04 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.941 0.877 . . . . 0.0 110.289 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -132.3 -172.21 2.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.421 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.6 tt 72.39 106.19 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 124.31 1.006 . . . . 0.0 109.719 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.87 164.72 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.799 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -63.77 116.0 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -136.93 139.59 41.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.252 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -73.33 130.58 40.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.648 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -169.74 100.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.711 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.31 127.95 48.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.274 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.245 0.845 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 177.716 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.475 0.437 0 N-CA-C 110.448 -0.635 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.8 124.91 15.42 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.706 2.271 . . . . 0.0 111.796 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.1 121.52 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.554 0.692 . . . . 0.0 110.967 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.13 25.53 4.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.024 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 6' ' ' TRP . 6.3 mm-40 71.24 145.02 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.547 -174.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' ' 5' ' ' GLU . 20.2 t90 74.61 118.09 0.05 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 0.0 111.016 174.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.46 65.68 7.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.63 124.55 24.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.119 167.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.6 135.82 48.75 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 112.393 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.546 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 7.0 tt0 -56.37 -48.67 76.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -176.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -60.26 -35.42 75.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -75.19 -45.89 37.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.2 ptm180 -67.35 -31.73 72.17 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 -175.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.7 -39.33 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.04 -39.53 90.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.491 ' HD2' HG21 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.952 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.523 ' HB2' HD12 ' A' ' 71' ' ' ILE . 20.6 ttt180 -63.78 -24.36 67.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.526 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 5.0 mt-30 -72.42 -14.08 61.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.024 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD11 ' HB2' ' A' ' 22' ' ' SER . 12.6 tp -155.61 38.46 0.38 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.292 -172.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.483 ' HE2' ' H ' ' A' ' 28' ' ' SER . 4.2 t80 -35.62 -81.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 119.738 3.236 . . . . 0.0 119.738 61.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.526 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 26.5 t-20 -47.44 -40.9 19.18 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -154.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.529 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.1 m -61.42 -23.35 65.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.389 0.54 . . . . 0.0 111.757 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -94.8 -2.75 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.087 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -101.6 162.61 12.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -103.88 -23.55 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.337 . . . . 0.0 110.528 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -139.75 -79.0 0.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttm -170.9 122.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.082 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.483 ' H ' ' HE2' ' A' ' 20' ' ' PHE . 44.7 m 65.69 39.75 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.639 0.587 . . . . 0.0 112.201 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.4 7.64 71.55 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.529 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.2 p-80 60.45 146.5 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.831 1.652 . . . . 0.0 113.914 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.7 145.12 37.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.491 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 p -85.47 166.29 16.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.336 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.55 -63.22 2.85 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.694 -0.684 . . . . 0.0 113.686 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.38 -47.43 22.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.724 2.282 . . . . 0.0 113.031 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.56 -46.8 88.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.026 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -58.21 -47.61 82.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 177.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.501 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.1 m -61.84 -40.63 95.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.44 -34.6 36.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.413 . . . . 0.0 110.434 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 71.9 mt -60.13 -40.35 89.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.674 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.18 -18.83 64.86 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.874 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -69.83 -12.23 61.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.262 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.2 p -75.41 -21.06 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t 67.63 16.23 9.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -85.93 156.83 57.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.52 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.74 147.87 94.34 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.853 2.369 . . . . 0.0 112.681 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -58.0 -31.04 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.974 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.619 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -73.5 -42.3 62.01 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.096 178.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.98 -47.79 83.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.379 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.67 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -63.85 -40.84 97.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.17 -43.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.174 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -59.21 -49.59 77.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.119 0.485 . . . . 0.0 110.361 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.19 -35.87 74.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.904 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.7 mt -75.14 -30.87 60.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.737 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -68.32 -50.99 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.597 -173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -92.77 119.46 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.201 0.524 . . . . 0.0 109.858 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.45 HD11 ' N ' ' A' ' 59' ' ' ILE . 3.4 mp -71.88 -34.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.251 -175.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -108.87 -13.53 14.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.58 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 66.28 54.31 0.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.151 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -89.93 -22.88 21.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.27 1.83 44.51 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.474 -0.87 . . . . 0.0 114.21 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 8.9 mptt -117.84 138.05 52.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.702 0.751 . . . . 0.0 110.22 178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' ' 69' ' ' GLU . 18.8 mt -112.23 106.69 15.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.213 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.529 HG22 ' HB3' ' A' ' 30' ' ' HIS . 17.5 p -83.77 -163.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.33 -53.18 61.24 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.04 -38.86 92.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.575 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.507 ' HB3' HD21 ' A' ' 65' ' ' LEU . 2.0 mp0 -73.45 -41.91 62.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.961 0.41 . . . . 0.0 110.478 -175.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.456 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 56.9 t80 -68.91 -39.88 79.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.742 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.523 HD12 ' HB2' ' A' ' 17' ' ' ARG . 61.5 mt -58.92 -38.61 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.431 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.2 tp -61.13 -50.63 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.277 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.18 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 0.6 OUTLIER -60.11 -38.15 82.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -69.79 -34.67 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.202 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -67.94 -39.82 83.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.5 mm -58.82 -44.43 90.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.195 174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.73 -41.29 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.028 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.58 -43.73 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.978 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.46 76.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.66 -26.22 63.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 111.257 178.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.437 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 22.8 t -75.46 -13.21 60.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.688 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.69 21.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.532 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 14.4 mm100 -93.79 144.51 28.28 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 120.606 0.241 . . . . 0.0 110.783 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.7 Cg_exo -69.21 151.75 72.19 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.985 2.457 . . . . 0.0 112.152 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.4 mt -94.85 144.33 27.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.082 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 8.3 Cg_exo -72.37 153.68 55.86 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.67 2.246 . . . . 0.0 111.965 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.86 -39.09 15.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.697 2.265 . . . . 0.0 111.77 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.83 157.47 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.526 176.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.17 140.81 49.5 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.17 153.71 28.39 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.535 2.157 . . . . 0.0 111.959 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.5 ' HA ' HD11 ' A' ' 95' ' ' ILE . 51.9 Cg_exo -57.19 -28.08 77.67 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.989 2.459 . . . . 0.0 112.286 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.18 -40.94 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.936 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -95.77 13.28 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.437 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.5 HD11 ' HA ' ' A' ' 92' ' ' PRO . 68.2 mt -86.61 113.18 51.53 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 8.1 Cg_exo -72.5 155.88 54.65 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.138 2.559 . . . . 0.0 112.547 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.446 ' C ' ' H ' ' A' ' 99' ' ' PHE . 32.5 Cg_exo -58.92 159.86 20.08 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 0.0 111.84 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 m 71.71 -14.14 0.52 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.162 0.585 . . . . 0.0 111.63 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.446 ' H ' ' C ' ' A' ' 97' ' ' PRO . 87.3 m-85 -123.07 18.08 10.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.512 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -68.74 114.58 7.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 14.2 ptt180 -68.34 100.9 1.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.637 0.732 . . . . 0.0 110.912 -176.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 m -125.57 96.53 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.021 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.482 ' H ' HD22 ' A' ' 104' ' ' LEU . 31.8 ptt180 -170.23 21.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.135 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.482 HD22 ' H ' ' A' ' 103' ' ' ARG . 2.8 mm? -78.21 -22.63 48.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.258 -174.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -64.59 -16.35 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.035 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -75.33 104.06 5.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.0 110.838 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -135.42 45.66 2.45 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -77.64 26.53 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.114 -167.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -137.03 100.9 4.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.842 0.353 . . . . 0.0 110.284 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -128.65 36.38 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.277 0.561 . . . . 0.0 110.728 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.358 174.617 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.478 0.592 0 N-CA-C 110.197 -0.732 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -58.37 152.89 50.83 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.387 2.058 . . . . 0.0 111.852 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 p -77.41 148.67 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.181 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.98 164.38 19.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 65.14 68.65 0.5 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.696 0.623 . . . . 0.0 109.616 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.58 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 7.0 t90 74.23 106.27 0.07 Allowed 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.062 -174.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.87 59.08 2.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.208 -168.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.615 170.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.68 137.63 20.56 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.081 2.521 . . . . 0.0 112.993 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.19 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.041 -175.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 p -62.19 -39.79 93.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.951 0.405 . . . . 0.0 110.311 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m -69.98 -41.9 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.929 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -55.75 -53.0 62.0 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.614 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.34 -45.79 83.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.727 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.67 -46.92 70.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.54 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.55 -6.99 59.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.203 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -75.91 -37.24 58.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -77.18 -14.41 59.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 22' ' ' SER . 6.4 tp -157.01 44.26 0.37 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.538 -170.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.67 ' CE2' ' HG ' ' A' ' 31' ' ' LEU . 8.0 t80 -39.32 -88.33 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 58.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' HA ' ' HD1' ' A' ' 20' ' ' PHE . 1.3 t-20 -51.67 -37.11 49.1 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -149.63 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.543 ' HB3' HD11 ' A' ' 19' ' ' LEU . 20.3 t -63.35 -23.57 67.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.527 0.603 . . . . 0.0 110.995 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -73.35 -9.89 59.17 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.285 . . . . 0.0 110.92 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.38 -174.68 3.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.258 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -145.31 -5.25 0.68 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 78.82 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.838 -0.164 . . . . 0.0 111.132 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.1 mtt 60.81 -161.85 0.28 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -72.51 -56.39 5.47 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.75 -7.39 0.46 Allowed Glycine 0 C--N 1.337 0.627 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 165.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' HB3' HG21 ' A' ' 66' ' ' THR . 5.4 p-80 54.08 165.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.279 1.032 . . . . 0.0 111.978 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.67 ' HG ' ' CE2' ' A' ' 20' ' ' PHE . 79.9 mt -110.04 160.74 16.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.68 172.33 8.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.34 3.63 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.017 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -52.86 -47.38 27.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.12 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.329 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HB2' HD11 ' A' ' 65' ' ' LEU . . . -58.46 -47.26 84.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.512 . . . . 0.0 111.0 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -68.26 -28.61 67.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.972 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 93.8 m -64.73 -45.04 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 0.0 110.21 176.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.49 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.191 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.4 mt -59.75 -40.45 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.93 -23.36 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.358 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -66.66 -17.63 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 111.477 -177.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -79.17 -8.12 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.52 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 m 60.05 27.11 16.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.85 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.71 150.17 72.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.36 143.92 41.92 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.778 2.319 . . . . 0.0 112.007 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.94 -38.06 72.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.31 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.269 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.73 -42.25 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.366 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.95 -44.18 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.376 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.09 96.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 t -65.68 -48.56 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.236 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 77' ' ' ILE . 91.1 mt -59.03 -46.06 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.691 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -58.39 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.368 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.1 -33.59 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.932 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.51 -38.3 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.136 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -91.1 -1.07 57.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.31 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.1 96.27 8.0 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.403 HD13 ' N ' ' A' ' 59' ' ' ILE . 4.1 mp -96.46 -41.76 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.473 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.89 -18.78 46.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.697 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 65.5 24.45 11.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.421 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.28 -14.22 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.5 32.73 21.5 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.821 175.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.73 131.77 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 69' ' ' GLU . 21.8 mt -103.34 117.7 35.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.94 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.55 HG21 ' HB3' ' A' ' 30' ' ' HIS . 41.3 p -72.31 -172.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.566 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.97 -47.94 72.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.959 0.409 . . . . 0.0 110.23 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.48 -43.21 93.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.919 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.518 ' HB3' HD23 ' A' ' 65' ' ' LEU . 36.7 mt-10 -69.22 -33.79 73.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.44 -47.41 84.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 67' ' ' ALA . 71.8 mt -59.57 -45.5 93.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.346 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.17 -48.47 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.25 66.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.406 ' HE3' ' HB3' ' A' ' 74' ' ' MET . 35.3 mtp -68.87 -21.23 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.347 -178.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.523 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.2 t60 -68.62 -34.09 75.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.34 -37.76 83.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.116 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.416 HD11 HD11 ' A' ' 53' ' ' ILE . 1.9 mp -64.64 -42.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.48 -39.47 73.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.78 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 75' ' ' HIS . 88.0 t -67.0 -50.63 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.899 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.01 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.421 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.9 67.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.37 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 t -85.37 -2.38 58.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.346 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.56 9.78 61.11 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.427 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -90.58 146.46 34.34 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.567 0.222 . . . . 0.0 110.874 -177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -79.67 178.49 7.26 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.242 . . . . 0.0 112.415 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.2 mt -112.38 144.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.1 Cg_exo -80.19 153.37 21.57 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.056 2.504 . . . . 0.0 111.839 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.65 -41.4 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 111.423 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 t -113.82 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.2 tp -108.6 141.74 23.93 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 12.4 Cg_exo -72.42 151.7 53.93 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.225 1.95 . . . . 0.0 112.227 177.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -62.11 -22.67 74.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.339 2.693 . . . . 0.0 113.077 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.58 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.2 mp0 -66.59 -19.91 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.6 0.238 . . . . 0.0 111.161 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -95.87 3.37 53.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.2 mt -98.29 120.23 60.02 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 154.4 37.44 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.753 2.302 . . . . 0.0 112.742 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.84 -30.38 85.05 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.448 2.766 . . . . 0.0 112.691 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 m -58.46 -26.07 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.297 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -111.58 25.08 12.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.602 ' HA ' ' NE ' ' A' ' 100' ' ' ARG . 2.3 mmp_? -96.23 -39.98 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -106.31 16.91 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.968 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.44 3.02 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.832 0.348 . . . . 0.0 111.477 -172.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 54.43 103.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.87 107.43 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.783 0.325 . . . . 0.0 110.591 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.08 76.83 9.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 109.781 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -91.13 62.94 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.13 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -87.26 -5.99 58.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.275 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -77.83 123.94 27.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.251 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -105.41 148.75 26.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 173.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -138.31 -62.02 0.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.162 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.706 -168.907 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.9 Cg_exo . . . . . 0 N--CA 1.474 0.376 0 N-CA-C 110.689 -0.543 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 14.2 Cg_exo -69.84 118.7 5.84 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.864 2.376 . . . . 0.0 111.332 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.13 93.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.233 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.19 80.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.298 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.61 113.9 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.527 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 6.1 t90 70.17 103.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 124.176 0.923 . . . . 0.0 109.107 -172.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.75 49.27 0.62 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.158 -168.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.96 125.73 25.78 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.493 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 74.6 Cg_exo -52.23 145.65 34.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.261 2.641 . . . . 0.0 113.279 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.45 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.197 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 m -59.74 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.909 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -67.68 -43.48 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.83 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 90.8 mtt180 -55.99 -51.9 66.11 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.564 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.64 -45.95 91.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.748 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -63.05 -45.5 91.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.369 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.56 ' HH ' ' HB2' ' A' ' 78' ' ' ASP . 40.0 m-85 -85.91 -9.34 57.08 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.318 -178.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -75.41 -31.85 60.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -78.8 -13.69 59.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.592 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.535 HD11 ' HB2' ' A' ' 22' ' ' SER . 6.8 tp -156.18 42.6 0.39 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.153 -171.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.622 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 4.1 t80 -38.39 -85.23 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 57.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -48.2 -31.35 5.66 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -150.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.535 ' HB2' HD11 ' A' ' 19' ' ' LEU . 44.3 m -60.14 -24.56 64.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.991 0.814 . . . . 0.0 110.831 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -102.12 4.52 39.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -90.92 142.48 27.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -97.88 -21.48 16.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.918 -174.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.582 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 8.4 p -138.83 -85.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.329 . . . . 0.0 111.824 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.582 ' SD ' ' HB ' ' A' ' 26' ' ' THR . 1.2 pmm? -155.38 87.29 1.1 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.389 0.614 . . . . 0.0 110.06 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.622 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 59.9 p 53.63 40.46 31.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.718 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.06 30.99 2.6 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.653 -0.703 . . . . 0.0 113.113 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.558 ' HB3' HG23 ' A' ' 66' ' ' THR . 6.2 p-80 57.95 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.002 1.321 . . . . 0.0 113.525 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 166.1 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.111 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -88.86 171.04 10.21 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.21 3.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.448 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.52 -42.2 68.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.629 2.219 . . . . 0.0 113.091 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.62 -46.76 84.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.644 0.259 . . . . 0.0 110.716 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -58.23 -48.91 78.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.366 176.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -64.97 -33.78 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.708 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.533 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.3 m -65.56 -42.18 92.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.694 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.58 -42.94 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 110.075 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 54.5 mt -57.81 -42.77 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.788 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 ttp -68.96 -18.17 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.607 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 38' ' ' THR . 82.7 mm-40 -69.74 -6.4 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 111.269 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -72.55 -10.21 59.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m 67.71 20.81 9.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.978 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.47 151.51 56.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' OE1' ' A' ' 49' ' ' GLN . 34.2 Cg_exo -60.05 146.91 94.95 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.637 2.225 . . . . 0.0 111.681 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.1 -27.27 63.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.678 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.11 -51.23 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.429 ' O ' HG13 ' A' ' 53' ' ' ILE . 49.1 mt-30 -68.48 -41.34 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.378 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.01 -42.32 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.66 94.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.49 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.8 t -62.9 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.054 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.602 HD11 HD11 ' A' ' 77' ' ' ILE . 92.9 mt -61.63 -45.1 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -59.69 -49.38 77.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.358 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.06 -35.29 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.723 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 52' ' ' SER . 70.7 mt -73.46 -34.16 65.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.592 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.412 ' HA ' HD22 ' A' ' 72' ' ' LEU . 32.3 t -79.58 -56.26 4.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.023 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -69.98 98.21 1.25 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -50.77 -60.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.792 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.09 11.72 31.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 0.0 110.341 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 58.97 73.19 0.49 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.093 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -96.63 -39.49 9.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.704 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.98 6.72 32.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.904 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -131.54 128.05 38.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.521 HD13 ' HB1' ' A' ' 36' ' ' ALA . 23.0 mt -96.04 116.34 28.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 30' ' ' HIS . 69.6 p -82.06 -170.9 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.51 -41.96 83.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.029 0.443 . . . . 0.0 110.019 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 68' ' ' GLU . 1.7 mp0 -57.94 -46.71 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.385 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.08 -43.5 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.019 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 35.3 t80 -57.48 -46.49 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.182 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 67' ' ' ALA . 75.0 mt -61.2 -42.68 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.992 0.425 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 57' ' ' SER . 62.1 tp -61.43 -50.35 73.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.38 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.84 63.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.557 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 90.8 mmm -65.96 -25.82 67.29 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.421 ' O ' HG21 ' A' ' 79' ' ' VAL . 83.1 t60 -67.06 -34.46 77.72 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.491 HD12 HG23 ' A' ' 53' ' ' ILE . 94.5 mt -70.7 -40.09 73.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.149 176.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.602 HD11 HD11 ' A' ' 53' ' ' ILE . 1.7 mp -58.81 -42.88 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.56 ' HB2' ' HH ' ' A' ' 16' ' ' TYR . 29.8 t70 -57.0 -41.56 78.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.152 179.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.421 HG21 ' O ' ' A' ' 75' ' ' HIS . 57.7 t -73.51 -51.07 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.956 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.76 -28.79 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.806 -175.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.429 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -55.42 -31.14 61.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.77 0.428 . . . . 0.0 111.722 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 t -78.88 -2.67 40.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.922 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.79 23.65 29.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.883 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -86.84 146.76 41.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 122.366 0.266 . . . . 0.0 110.733 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.68 152.37 42.42 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.591 2.194 . . . . 0.0 111.421 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -110.58 144.03 29.38 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.609 0.243 . . . . 0.0 110.807 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.51 154.85 70.85 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.952 2.435 . . . . 0.0 112.281 179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.75 -36.31 11.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.568 2.179 . . . . 0.0 112.231 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.8 m -129.01 166.93 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.77 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.66 141.78 23.33 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.718 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 51.8 Cg_endo -73.06 153.78 52.27 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.025 1.817 . . . . 0.0 112.157 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_exo -58.09 -33.35 97.26 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 0.0 114.054 -174.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.538 ' OE2' ' HB2' ' A' ' 91' ' ' PRO . 1.3 pm0 -80.22 -13.37 59.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.195 -0.315 . . . . 0.0 111.4 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.718 ' HB2' ' HG2' ' A' ' 91' ' ' PRO . 0.5 OUTLIER -89.75 -9.17 50.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 0.0 110.68 177.837 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 58.4 mt -78.03 126.52 83.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.841 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 24.4 Cg_exo -63.73 153.88 72.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.716 2.278 . . . . 0.0 112.79 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' C ' ' H ' ' A' ' 99' ' ' PHE . 52.7 Cg_exo -54.35 157.1 12.22 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.266 2.644 . . . . 0.0 112.139 177.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 m 75.59 -35.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.505 0.722 . . . . 0.0 111.16 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.414 ' H ' ' C ' ' A' ' 97' ' ' PRO . 85.1 m-85 -87.29 -16.2 35.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.274 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -68.96 -18.44 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.853 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -117.83 97.79 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.977 176.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.497 HG23 ' HG3' ' A' ' 103' ' ' ARG . 12.7 p -156.96 152.67 7.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.497 ' HG3' HG23 ' A' ' 102' ' ' VAL . 89.6 mtt180 62.56 78.25 0.3 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.419 0.628 . . . . 0.0 109.748 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.7 mt -86.86 102.34 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.792 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.38 114.98 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.109 175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -111.81 110.45 20.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.434 0.635 . . . . 0.0 110.385 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -128.07 130.48 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.966 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -113.67 150.67 32.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.479 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -98.32 170.46 8.85 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -126.96 129.86 48.95 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.844 0.354 . . . . 0.0 110.724 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.5 m80 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.958 176.818 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.6 Cg_exo . . . . . 0 N--CA 1.476 0.465 0 N-CA-C 110.671 -0.55 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 3.6 Cg_exo -75.74 101.46 1.49 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.795 2.33 . . . . 0.0 111.833 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.2 84.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.267 0.556 . . . . 0.0 109.64 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.72 111.64 3.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.137 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 66.12 84.6 0.15 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.81 0.694 . . . . 0.0 110.233 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.437 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 2.1 t90 70.12 110.52 0.06 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.9 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.87 39.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.395 -0.82 . . . . 0.0 113.022 -170.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.78 116.72 26.26 Favored Pre-proline 0 C--N 1.316 -0.851 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 143.28 47.15 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.613 2.209 . . . . 0.0 112.017 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.534 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 28.8 tt0 -57.21 -46.31 83.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -178.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -56.93 -37.54 71.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -71.77 -45.86 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.437 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.534 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 11.3 ptm180 -66.9 -32.31 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.605 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 55.2 mt -62.34 -38.69 90.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.35 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.182 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.463 ' HB2' HG12 ' A' ' 71' ' ' ILE . 10.3 m-85 -81.42 -28.62 34.21 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.588 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 7.3 ttt180 -68.46 -25.62 65.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.444 0.64 . . . . 0.0 109.405 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -76.62 -12.64 60.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.836 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 22' ' ' SER . 7.9 tp -156.09 39.87 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.23 -170.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -36.09 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 119.204 3.038 . . . . 0.0 119.204 60.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.556 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.9 t30 -47.78 -45.25 29.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -152.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.502 ' HB2' HD13 ' A' ' 19' ' ' LEU . 53.0 m -71.22 -24.52 62.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.432 0.56 . . . . 0.0 112.414 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -94.78 -6.43 43.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.717 0.294 . . . . 0.0 110.341 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.65 119.51 12.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.388 0.613 . . . . 0.0 110.878 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -161.36 19.24 0.12 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.406 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.2 p -124.75 129.72 51.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.13 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ttt -59.88 146.53 41.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.864 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 m 76.59 102.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.665 1.228 . . . . 0.0 108.22 -169.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.68 52.75 0.15 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 114.956 -1.02 . . . . 0.0 114.267 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.583 ' HB3' HG21 ' A' ' 66' ' ' THR . 6.6 p-80 -157.96 137.94 12.35 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.153 0.581 . . . . 0.0 109.557 172.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.08 140.38 31.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.0 p -77.41 175.17 10.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.802 177.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -63.71 4.08 Favored Glycine 0 C--N 1.33 0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.053 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.62 -43.22 52.04 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.731 2.288 . . . . 0.0 112.774 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -60.46 -53.22 60.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' HB2' HD12 ' A' ' 65' ' ' LEU . . . -58.72 -49.03 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.888 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.97 -36.59 81.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.953 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.481 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.6 m -62.5 -40.95 98.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.46 -40.14 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.283 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 69.3 mt -56.65 -45.9 81.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.88 -16.64 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 38' ' ' THR . 76.6 mm-40 -71.41 -3.69 22.27 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 111.23 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 p -82.16 -3.93 55.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m 66.03 20.94 11.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.864 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.49 147.74 33.43 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.253 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -62.33 148.7 92.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 111.946 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.94 -20.05 65.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.74 -42.01 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.694 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.81 -38.79 89.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.298 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.0 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.301 . . . . 0.0 111.107 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -48.21 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.557 HD11 HD12 ' A' ' 77' ' ' ILE . 89.8 mt -64.53 -37.63 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.052 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -58.79 -50.63 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.48 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.02 -33.85 73.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.55 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.77 -31.28 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -83.7 -50.55 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -68.53 113.31 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.52 HG21 ' HB3' ' A' ' 99' ' ' PHE . 37.5 mm -91.95 -22.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 110.74 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -96.85 -17.24 20.32 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.526 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 66.53 31.5 7.92 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -88.68 -10.91 46.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.645 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.37 25.14 61.82 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.71 151.55 39.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.51 HD12 ' HB2' ' A' ' 36' ' ' ALA . 41.0 mt -122.27 118.27 28.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.583 HG21 ' HB3' ' A' ' 30' ' ' HIS . 71.3 p -74.72 -171.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 174.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.82 -53.22 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.516 0.198 . . . . 0.0 111.094 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -34.02 76.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.292 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.91 -41.56 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.418 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 59.5 t80 -59.6 -41.94 91.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.802 175.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.493 HD11 ' HB2' ' A' ' 17' ' ' ARG . 65.0 mt -56.51 -46.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.828 175.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.5 tp -60.71 -52.57 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.929 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -53.6 56.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.759 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.418 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 96.7 mmm -65.81 -28.25 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.452 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.513 ' O ' HG21 ' A' ' 79' ' ' VAL . 79.7 t60 -69.42 -34.76 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.406 HD12 HG21 ' A' ' 53' ' ' ILE . 97.9 mt -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.557 HD12 HD11 ' A' ' 53' ' ' ILE . 1.5 mp -58.38 -43.78 87.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.866 172.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.19 -41.67 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.513 HG21 ' O ' ' A' ' 75' ' ' HIS . 89.8 t -62.58 -44.8 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.488 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.68 -42.25 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -25.54 67.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.323 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 m -81.4 1.94 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.691 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.95 14.56 72.12 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.593 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -93.82 146.44 31.72 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.87 150.81 62.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.896 2.398 . . . . 0.0 112.478 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 93.0 mt -90.49 144.76 31.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.32 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 6.5 Cg_exo -73.94 153.71 47.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 178.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 3.1 Cg_exo -77.28 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 175.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.54 153.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.429 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.9 tp -83.44 140.41 41.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.697 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.4 Cg_exo -81.88 154.63 17.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.774 2.316 . . . . 0.0 111.881 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.66 -19.61 54.02 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 112.514 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 6.2 mm-40 -76.53 -19.87 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.022 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.42 ' HB2' ' HD2' ' A' ' 91' ' ' PRO . 34.0 m-85 -100.71 3.17 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.146 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.9 mt -81.67 120.06 76.94 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -63.41 151.72 83.53 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.46 2.107 . . . . 0.0 112.176 -178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -62.54 -33.2 79.13 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.015 2.477 . . . . 0.0 112.947 -176.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -76.82 -21.62 54.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.52 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.2 m-85 -119.24 33.1 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.383 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -75.84 -40.85 53.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -128.71 111.56 13.29 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -171.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.46 147.15 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.212 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -95.01 93.87 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.147 0.499 . . . . 0.0 109.896 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.714 HD21 ' H ' ' A' ' 104' ' ' LEU . 2.4 pt? -95.14 136.49 35.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.442 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.54 129.74 53.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.957 175.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.5 123.19 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.289 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -94.88 178.58 5.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -156.8 -59.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.34 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.519 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 19.9 t-80 -173.47 -38.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 173.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.519 ' HB2' ' O ' ' A' ' 109' ' ' HIS . 38.3 m-70 72.96 177.1 0.26 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.748 0.655 . . . . 0.0 110.078 -172.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.463 -0.78 . . . . 0.0 109.357 174.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.415 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.4 Cg_exo . . . . . 0 N--CA 1.475 0.393 0 N-CA-C 110.428 -0.643 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 21.8 Cg_exo -65.38 117.71 4.82 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.944 2.43 . . . . 0.0 111.694 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t 63.54 85.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.857 0.837 . . . . 0.0 111.17 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.61 47.48 0.97 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.501 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.12 146.25 33.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.375 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -76.3 119.48 20.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 58.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.53 127.15 20.48 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.422 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.31 142.65 87.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.591 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.509 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.1 tp60 -55.4 -48.26 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.918 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -57.88 -35.12 70.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.843 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -75.63 -45.19 38.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 33.0 ptt180 -72.07 -32.34 66.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.73 -39.2 93.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.528 0.68 . . . . 0.0 110.211 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -38.83 92.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.869 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -91.83 -18.7 23.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.754 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -70.99 -25.83 62.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -70.88 -15.98 62.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.029 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 HD12 ' HB3' ' A' ' 22' ' ' SER . 9.6 tp -161.81 41.33 0.14 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.421 -166.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -37.45 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 60.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -48.12 -44.34 31.87 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -152.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.481 ' HB3' HD12 ' A' ' 19' ' ' LEU . 21.4 t -62.91 -23.87 67.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.708 0.685 . . . . 0.0 111.383 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -92.38 -0.35 57.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.235 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -92.04 136.0 33.52 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -158.84 17.21 0.19 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.365 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -157.78 -172.53 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 95.4 mmm -91.96 70.36 5.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.097 0.475 . . . . 0.0 110.484 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.3 t -148.79 97.0 2.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.152 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.28 42.7 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.153 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 35.6 p-80 -172.32 149.97 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.972 0.415 . . . . 0.0 109.989 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.99 151.24 21.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 p -88.7 173.63 8.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.56 -64.97 3.06 Favored Glycine 0 CA--C 1.518 0.223 0 O-C-N 123.623 0.577 . . . . 0.0 113.191 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -45.7 37.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.567 2.178 . . . . 0.0 112.597 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.83 -43.66 98.4 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.0 111.068 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.535 ' HB1' HD13 ' A' ' 65' ' ' LEU . . . -65.5 -47.0 77.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.632 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.721 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.558 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 86.1 m -65.97 -36.79 84.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 177.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.5 -36.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.332 0.587 . . . . 0.0 109.904 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.4 mt -62.2 -44.09 97.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.665 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.558 ' HE2' ' HA ' ' A' ' 38' ' ' THR . 23.0 ptp -66.77 -17.54 64.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.408 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 38' ' ' THR . 78.4 mt-30 -65.93 -14.6 61.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -82.42 -13.32 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.151 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m 63.16 30.39 15.99 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.571 177.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD23 ' HG2' ' A' ' 81' ' ' MET . 89.7 mt -87.82 150.61 48.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.59 140.99 54.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.84 2.36 . . . . 0.0 112.63 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -37.06 73.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.261 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.58 88.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.991 0.424 . . . . 0.0 110.749 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -69.25 -40.38 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.219 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.37 -48.11 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -67.18 -42.22 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.64 -41.62 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -56.63 -49.99 73.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.811 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.17 -34.77 75.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.354 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.3 mt -73.67 -31.79 63.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.539 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 t -85.58 -25.68 26.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.6 140.56 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.489 0.662 . . . . 0.0 111.587 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.5 mt -124.31 -28.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.72 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -163.83 5.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -136.86 79.41 1.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.098 0.952 . . . . 0.0 110.15 -176.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.61 -16.54 49.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.017 -170.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.63 25.63 4.71 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 119.552 -1.308 . . . . 0.0 113.775 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -142.8 138.2 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.533 0.666 . . . . 0.0 110.845 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD13 ' HB1' ' A' ' 36' ' ' ALA . 18.9 mt -126.26 113.09 16.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 30.1 p -77.23 -170.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.42 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.71 -38.53 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.91 -43.76 94.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.42 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.53 ' HB3' HD23 ' A' ' 65' ' ' LEU . 1.6 mp0 -72.47 -37.77 68.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.648 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -62.04 -45.62 92.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.728 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.2 mt -59.41 -43.86 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.27 177.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 HD11 HD21 ' A' ' 90' ' ' LEU . 53.7 tp -61.61 -49.91 74.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.446 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.38 -52.57 64.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.474 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 21.4 mtp -74.08 -19.23 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.945 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.414 ' O ' HG21 ' A' ' 79' ' ' VAL . 29.7 t60 -69.45 -36.12 76.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 171.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.02 -38.72 66.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.787 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.474 ' HB ' ' HA ' ' A' ' 74' ' ' MET . 31.4 mm -56.33 -45.86 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.492 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.19 -36.45 75.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 75' ' ' HIS . 78.9 t -74.62 -46.99 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.16 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.272 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.402 ' HG2' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.3 -11.88 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.702 177.347 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.1 t -92.66 12.08 24.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 109.989 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.05 15.44 81.65 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.329 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 33.0 mm-40 -79.95 147.08 65.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.874 0.369 . . . . 0.0 111.501 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 3.0 Cg_exo -76.34 153.94 35.94 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.017 2.478 . . . . 0.0 111.014 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.3 mt -100.65 143.15 26.01 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.363 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 1.4 Cg_endo -81.52 155.3 18.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.041 2.494 . . . . 0.0 112.279 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.65 -44.43 17.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 111.493 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.9 t -121.06 155.02 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.431 HD21 HD11 ' A' ' 72' ' ' LEU . 18.6 tp -96.85 143.92 26.96 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -59.35 152.47 60.49 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.07 1.847 . . . . 0.0 111.936 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.91 -40.66 20.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.796 2.331 . . . . 0.0 113.067 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HA ' ' NH2' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -70.01 -14.84 62.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 111.699 -178.132 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -82.94 -16.16 48.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.338 . . . . 0.0 110.178 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.53 118.86 72.7 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.31 153.37 70.74 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.524 2.15 . . . . 0.0 112.487 -176.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.68 156.91 45.03 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.635 2.223 . . . . 0.0 111.615 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m 75.07 -42.63 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.36 0.664 . . . . 0.0 111.198 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -76.13 -8.79 57.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.054 0.455 . . . . 0.0 110.63 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.444 ' NH2' ' HA ' ' A' ' 93' ' ' GLU . 88.4 mtt180 -75.35 -15.3 60.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 173.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -95.31 96.58 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.224 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.4 t -123.94 70.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 40.7 67.37 0.52 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.169 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 tt -123.47 99.82 6.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.036 0.446 . . . . 0.0 111.131 -174.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.0 -59.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -101.01 104.67 15.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.716 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -101.12 20.41 15.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.014 0.435 . . . . 0.0 109.875 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 43.4 m170 68.83 89.37 0.1 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.747 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -120.74 101.12 7.51 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -71.11 122.91 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 111.864 -171.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.6 t60 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.284 172.663 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 121.199 0.524 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -5.53 33.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 126.59 82.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.71 137.28 21.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.161 2.574 . . . . 0.0 113.116 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.17 -42.82 86.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.497 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.32 -34.75 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.352 . . . . 0.0 110.487 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -70.33 -45.46 66.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' GLN . 27.1 ptt180 -61.46 -35.14 76.77 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 34.2 mt -66.53 -37.37 84.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.76 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -69.58 -36.04 75.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.172 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.481 ' HB2' HG12 ' A' ' 71' ' ' ILE . 37.2 m-85 -81.24 -35.0 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.659 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.639 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 2.6 tmm_? -61.34 -25.93 67.48 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -74.6 -13.9 60.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.178 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 22' ' ' SER . 7.2 tp -156.72 39.2 0.32 Allowed 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.383 -170.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.24 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 60.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.608 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 48.5 t30 -47.56 -45.92 27.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -152.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.554 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.5 t -63.51 -22.8 67.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -96.5 -7.82 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.7 p-80 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -107.15 137.76 44.6 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.918 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -72.83 165.01 25.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.803 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.76 -63.91 2.06 Favored Glycine 0 C--N 1.335 0.472 0 CA-C-O 119.647 -0.53 . . . . 0.0 113.637 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.31 -45.36 34.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.756 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -59.59 -53.38 58.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.792 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -59.06 -46.83 87.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.762 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -64.03 -32.35 73.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.568 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 96.6 m -62.34 -46.0 90.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.806 0.336 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.44 -34.76 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.135 0.493 . . . . 0.0 110.026 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.9 mt -64.78 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.9 mtp -62.87 -28.85 70.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.595 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 7.4 mm-40 -76.6 7.18 4.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.899 0.38 . . . . 0.0 111.464 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.9 p -84.9 -19.48 32.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 67.97 21.38 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.583 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.434 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 88.3 mt -87.31 158.55 51.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 30.0 Cg_endo -63.96 142.43 81.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.727 2.285 . . . . 0.0 112.654 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.18 -34.85 74.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.093 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.742 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.26 -37.36 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.868 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -58.81 -47.49 84.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.21 83.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.2 m -65.32 -48.75 71.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.63 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 HD12 ' A' ' 77' ' ' ILE . 79.4 mt -63.02 -38.54 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -60.08 -51.11 71.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.557 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.35 -34.76 74.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.05 -39.42 65.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.355 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -71.92 -61.39 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.457 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.46 104.98 0.69 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.23 -28.89 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.743 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.99 9.53 12.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.753 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 49.33 63.64 2.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.804 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -96.12 -42.17 8.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.545 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.9 21.46 8.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.797 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -138.87 130.4 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.4 mt -109.39 114.92 28.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.6 p -76.18 -170.63 1.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -64.79 -41.14 96.05 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.362 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 22.8 mp0 -64.29 -45.14 89.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.145 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.536 ' HB3' HD22 ' A' ' 65' ' ' LEU . 6.8 mm-40 -69.68 -36.09 75.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.05 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.3 mt -59.2 -41.87 85.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.002 0.429 . . . . 0.0 110.094 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.42 -52.39 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.639 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.69 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.146 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 mtp -64.98 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.579 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.8 t60 -67.17 -34.37 77.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.8 -37.24 76.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.225 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.435 HD12 HD13 ' A' ' 53' ' ' ILE . 1.7 mp -59.7 -40.96 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -39.91 95.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.0 t -61.2 -44.13 97.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.295 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.28 -38.31 89.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.5 mmt -63.08 -41.34 99.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -68.45 -12.79 61.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 25.86 59.57 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.055 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 94.5 mt-30 -101.25 144.64 28.96 Favored Pre-proline 0 N--CA 1.447 -0.593 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 17.6 Cg_exo -66.87 137.69 45.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.837 2.358 . . . . 0.0 112.735 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.8 mt -83.77 145.9 48.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.796 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.93 154.12 33.37 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.127 1.885 . . . . 0.0 112.042 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.35 -27.29 16.37 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.453 2.102 . . . . 0.0 111.636 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 t -132.5 149.98 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.408 HD23 HG12 ' A' ' 95' ' ' ILE . 19.3 tp -81.86 141.12 47.27 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.486 ' O ' HG13 ' A' ' 95' ' ' ILE . 87.4 Cg_endo -88.54 152.87 6.4 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.277 1.984 . . . . 0.0 112.171 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.86 -16.94 52.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.02 2.48 . . . . 0.0 111.703 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -58.6 -35.13 71.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.447 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.25 10.38 18.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.75 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 91' ' ' PRO . 67.8 mt -94.62 118.9 66.83 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 25.5 Cg_exo -63.3 154.06 70.42 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.904 2.402 . . . . 0.0 112.529 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.75 157.16 44.06 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.084 2.522 . . . . 0.0 112.083 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.7 m 74.52 -34.84 0.28 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.524 0.729 . . . . 0.0 111.916 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.41 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 86.9 m-85 -86.15 3.16 43.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.097 0.475 . . . . 0.0 110.524 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.759 -178.566 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.9 t90 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -84.06 68.25 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.319 0.58 . . . . 0.0 112.189 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.73 132.07 16.13 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.684 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.65 121.65 8.31 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.153 2.569 . . . . 0.0 112.568 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.6 tp-100 -53.98 -53.31 54.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.639 -174.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 m -58.45 -49.13 78.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -67.54 -34.3 76.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.111 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.622 ' HB2' HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -75.37 -34.61 61.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.502 -175.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 58.6 mt -64.38 -34.86 79.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -61.47 -40.92 96.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.798 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.476 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.1 m-85 -80.58 -22.13 41.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.704 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 71' ' ' ILE . 31.4 ttt85 -68.98 -26.43 65.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.705 0.764 . . . . 0.0 109.249 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -75.6 -13.58 60.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.559 -1.201 . . . . 0.0 112.027 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.604 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 9.2 tp -157.98 40.11 0.27 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.009 -170.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -35.9 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 119.501 3.149 . . . . 0.0 119.501 62.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -47.62 -52.36 18.19 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.746 1.157 . . . . 0.0 113.666 -156.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.529 ' HB2' HD12 ' A' ' 19' ' ' LEU . 73.9 m -72.19 -25.0 61.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.59 0.632 . . . . 0.0 111.808 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 37.4 m170 -75.5 -41.14 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.291 176.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 -178.059 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.661 ' HB3' HG22 ' A' ' 66' ' ' THR . 25.3 p80 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 122.3 1.048 . . . . 0.0 112.623 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 134.04 42.2 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.382 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.2 p -75.85 174.3 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.03 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.511 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.68 -65.99 2.84 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.17 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.44 -44.4 49.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.17 . . . . 0.0 112.685 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.08 -52.87 63.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.289 . . . . 0.0 110.988 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.32 -45.25 94.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.03 -38.68 92.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.374 -178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 90.8 m -64.17 -41.74 97.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.544 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.73 -40.28 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 110.037 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.66 -47.16 87.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.5 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.418 ' HA ' HD11 ' A' ' 50' ' ' LEU . 25.8 ttt -65.56 -28.93 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.67 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 54.6 mt-30 -72.67 4.89 3.51 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -77.9 -85.57 0.07 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -172.96 11.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.104 0.561 . . . . 0.0 110.789 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.84 147.54 35.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 111.454 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.93 158.68 34.56 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.586 2.191 . . . . 0.0 111.129 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -62.28 -27.89 69.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.49 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.06 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.56 -37.07 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.727 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 41' ' ' MET . 94.8 mt -61.0 -37.66 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.03 93.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 0.0 110.694 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -67.41 -42.88 82.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.938 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 76' ' ' LEU . 80.8 mt -63.69 -43.88 98.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.453 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.511 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 44.5 t-105 -57.67 -50.58 72.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.795 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.27 -36.53 75.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.612 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -74.72 -28.47 60.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.019 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.405 ' HA ' HD23 ' A' ' 72' ' ' LEU . 25.1 t -88.76 -47.19 8.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -171.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -72.63 123.14 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mm -105.93 -30.53 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -129.58 -20.6 3.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.566 ' CD ' ' HB2' ' A' ' 64' ' ' LYS . 43.8 mt-30 -108.26 -24.28 11.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -164.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.42 11.4 7.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.455 0.645 . . . . 0.0 110.855 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.12 26.14 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.846 -1.169 . . . . 0.0 113.83 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.566 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 50.0 mttp -150.28 146.18 26.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.474 0.637 . . . . 0.0 109.479 176.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.8 mt -120.21 109.12 15.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.652 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.5 p -78.1 -170.71 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.699 0.285 . . . . 0.0 111.539 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 15.3 mm-40 -67.36 -42.66 83.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.158 0.504 . . . . 0.0 110.566 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' HD22 ' A' ' 65' ' ' LEU . 29.0 mt-10 -74.76 -40.45 61.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.214 -173.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.46 -42.2 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.622 HG21 ' HB2' ' A' ' 13' ' ' ARG . 83.8 mt -61.09 -45.28 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.8 tp -59.3 -44.1 92.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.51 -52.96 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.405 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 38.8 mtp -70.84 -20.32 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.674 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -71.05 -35.87 72.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.412 HD12 HG23 ' A' ' 53' ' ' ILE . 96.7 mt -71.96 -32.94 67.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.758 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 73' ' ' ALA . 48.1 mm -59.59 -41.63 85.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.476 174.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -37.39 87.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.41 -48.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.618 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.07 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -26.43 68.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -80.24 -10.11 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.76 6.25 67.75 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.796 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.2 mm100 -82.89 143.73 46.77 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.531 0.205 . . . . 0.0 110.538 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.6 Cg_exo -73.15 153.82 51.79 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.353 . . . . 0.0 112.165 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 53.4 mt -84.83 144.06 41.45 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.002 177.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 7.8 Cg_exo -73.21 153.41 51.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.493 2.129 . . . . 0.0 111.701 177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 11.7 Cg_exo -71.5 -39.21 3.82 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 122.633 2.222 . . . . 0.0 111.3 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.04 138.13 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.551 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HB2' HD22 ' A' ' 56' ' ' LEU . 18.4 tp -85.83 142.14 36.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 3.7 Cg_exo -77.66 153.7 30.27 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.525 2.15 . . . . 0.0 111.782 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.56 -25.62 81.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.728 2.285 . . . . 0.0 111.976 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 10.2 mp0 -58.57 -34.65 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.208 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.85 -0.06 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 60.6 mt -85.7 122.28 73.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 50.1 Cg_exo -54.53 152.28 27.55 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 38.4 Cg_exo -61.38 -38.63 62.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.158 2.572 . . . . 0.0 112.887 -175.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -85.7 9.07 17.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.929 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HD1' ' HB2' ' A' ' 96' ' ' PRO . 61.9 m-85 -122.93 -31.11 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 111.671 -177.847 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.1 t90 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.23 39.58 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -169.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.61 122.29 20.62 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -53.67 144.61 52.48 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.946 2.431 . . . . 0.0 112.712 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.2 tp-100 -56.35 -47.33 79.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.587 -174.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -61.24 -37.79 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.771 0.319 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 m -74.6 -44.18 51.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.9 ptm180 -63.89 -36.5 84.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.749 0.309 . . . . 0.0 110.818 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.01 -40.15 75.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 50.8 tttp -58.87 -41.47 87.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.342 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -89.2 -13.45 38.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.917 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -74.94 -25.5 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 31.9 mt-30 -70.27 -14.7 62.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.891 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.423 HD12 ' OG ' ' A' ' 22' ' ' SER . 12.7 tp -157.13 42.12 0.33 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.962 -169.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -38.67 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 59.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -47.18 -46.53 23.77 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -150.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.423 ' OG ' HD12 ' A' ' 19' ' ' LEU . 9.0 p -63.04 -23.13 67.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 118.291 0.496 . . . . 0.0 112.205 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -98.56 2.02 47.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.079 0.466 . . . . 0.0 110.287 179.145 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.779 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.9 p-80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -109.29 158.95 17.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.581 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 p -89.78 177.1 6.59 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -48.97 -63.86 3.65 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 113.458 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.52 -42.63 60.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.76 2.307 . . . . 0.0 113.024 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.5 -50.21 68.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.516 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.29 -47.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 92.8 mtt180 -63.64 -30.04 71.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.935 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' ' 41' ' ' MET . 54.6 m -56.07 -48.27 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.103 0.478 . . . . 0.0 110.481 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.401 ' HB ' ' HZ ' ' A' ' 70' ' ' PHE . 57.3 mt -74.61 -40.9 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.387 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 73.1 mt -60.39 -37.72 81.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.244 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 38' ' ' THR . 27.4 ptt? -68.36 -18.33 64.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.691 0.281 . . . . 0.0 111.424 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.53 6.53 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.635 0.255 . . . . 0.0 111.351 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.0 p -78.51 -9.17 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.765 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 15.93 8.5 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.709 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -96.69 151.83 38.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 159.85 47.94 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.488 2.126 . . . . 0.0 112.25 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.11 -34.13 73.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.319 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -51.29 64.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.412 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -70.76 -38.02 73.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.334 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.74 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.396 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.96 74.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -66.15 -45.31 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.055 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.458 HD13 HD12 ' A' ' 77' ' ' ILE . 89.6 mt -64.67 -38.92 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.462 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 35.2 t-105 -59.26 -47.87 83.75 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.223 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.8 -32.57 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.817 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.55 -28.42 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.615 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 t -99.72 -18.83 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.3 93.46 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 99' ' ' PHE . 47.6 mm -74.37 -48.99 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.923 -172.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.57 -8.07 55.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.481 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 61.77 79.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.643 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -147.39 -50.34 0.19 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.187 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 134.57 22.34 0.69 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -119.79 133.59 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.516 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.1 mt -111.57 114.67 27.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.693 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.779 HG22 ' HB3' ' A' ' 30' ' ' HIS . 76.3 p -74.55 -178.91 3.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.209 174.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.88 -51.04 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.674 0.273 . . . . 0.0 110.934 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG3' ' HE2' ' A' ' 99' ' ' PHE . 2.1 pm0 -67.27 -31.27 71.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.158 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.01 -43.16 62.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.021 0.439 . . . . 0.0 110.104 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.431 ' HE2' ' HA ' ' A' ' 36' ' ' ALA . 24.9 t80 -60.62 -40.04 90.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.8 mt -60.66 -45.46 97.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.023 0.439 . . . . 0.0 110.673 177.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.82 -49.68 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.329 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.67 75.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.362 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.3 mmm -62.17 -32.61 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.485 ' O ' HG23 ' A' ' 79' ' ' VAL . 40.4 t-80 -70.06 -34.73 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.808 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.94 -35.78 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.458 HD12 HD13 ' A' ' 53' ' ' ILE . 1.5 mp -57.44 -46.19 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 171.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.64 -46.9 83.58 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.757 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.7 t -56.96 -52.08 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.098 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.13 93.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.097 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.68 -29.11 69.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.349 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 m -83.05 5.63 21.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.409 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.51 77.91 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.761 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -90.21 144.53 31.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.37 166.28 29.08 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.436 2.091 . . . . 0.0 112.045 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.73 147.27 35.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.114 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.7 153.5 69.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.004 1.802 . . . . 0.0 112.086 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.33 -39.9 27.59 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.275 1.983 . . . . 0.0 111.094 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 t -140.43 153.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.0 tp -80.54 140.09 51.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 2.3 Cg_endo -84.76 153.44 11.57 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.631 2.221 . . . . 0.0 111.981 177.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.43 -27.33 75.55 Favored 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 122.774 2.316 . . . . 0.0 112.713 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.7 -27.35 68.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.354 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -95.6 -8.47 34.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.388 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.5 mt -85.59 115.07 60.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.286 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 17.5 Cg_exo -66.3 154.45 74.16 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.848 2.366 . . . . 0.0 112.291 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 52.1 Cg_exo -56.19 151.36 43.77 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.076 2.518 . . . . 0.0 112.018 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 t 74.93 -37.88 0.36 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.148 0.579 . . . . 0.0 111.142 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.542 ' HB3' HG21 ' A' ' 59' ' ' ILE . 77.7 m-85 -84.62 4.73 30.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 110.672 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 178.422 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.0 t90 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 39.86 0.08 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -171.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.4 126.95 19.54 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -48.72 133.67 27.21 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.469 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.502 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 68.3 mt-30 -60.21 -39.46 86.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.036 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m -65.55 -39.31 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -74.04 -41.46 61.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 8.2 ptp180 -62.58 -34.18 76.45 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.422 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 mt -71.3 -37.95 71.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 110.988 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.59 -45.41 65.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.186 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -85.42 -9.72 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.135 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.8 ttp180 -74.94 -25.79 59.14 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 170.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -71.87 -14.13 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.369 177.156 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.0 tp -158.86 42.42 0.24 Allowed 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.31 -170.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.5 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 32.0 t80 -37.7 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 119.933 3.309 . . . . 0.0 119.933 59.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.5 t-20 -47.82 -41.58 24.08 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.518 1.674 . . . . 0.0 115.518 -152.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' HD12 ' A' ' 19' ' ' LEU . 42.9 m -59.51 -24.77 63.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.773 0.715 . . . . 0.0 111.945 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.65 -32.98 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.234 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 CA--C 1.515 -0.389 0 CA-C-O 121.793 0.806 . . . . 0.0 109.741 178.627 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.684 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 . . . . . 0 CA--C 1.515 -0.396 0 CA-C-O 120.773 0.32 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 81.8 mt -92.2 141.32 28.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.14 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.87 165.31 21.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.061 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.74 -64.19 2.22 Favored Glycine 0 CA--C 1.522 0.5 0 O-C-N 123.393 0.433 . . . . 0.0 113.564 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.97 -41.62 73.19 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.555 2.17 . . . . 0.0 112.369 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.07 -54.54 43.78 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.277 0.361 . . . . 0.0 111.272 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -61.11 -44.07 97.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.933 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 37' ' ' ARG . 22.9 mtm180 -63.4 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.453 -178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 92.2 m -58.25 -52.51 65.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.0 -39.71 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 52.9 mt -58.76 -41.12 85.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.015 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.71 -19.27 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.707 0.289 . . . . 0.0 111.606 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.9 mm-40 -74.66 -2.86 28.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 111.312 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -77.03 -19.64 56.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.452 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.8 m 69.05 14.52 8.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.44 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 97.3 mt -76.2 160.17 78.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 35.8 Cg_endo -65.94 144.64 77.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.959 1.773 . . . . 0.0 111.274 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.08 -28.29 69.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.936 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.79 -47.03 81.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.09 0.471 . . . . 0.0 110.778 175.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 87.9 mt-30 -73.33 -38.32 65.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 178.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.18 -46.59 88.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.941 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.58 94.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.529 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.2 m -60.16 -48.75 80.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.637 HD13 HD12 ' A' ' 77' ' ' ILE . 94.7 mt -60.38 -44.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.932 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -59.57 -50.58 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.34 -34.91 76.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 mt -74.65 -31.7 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.946 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -87.16 -35.25 18.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -74.96 93.42 2.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.422 0.629 . . . . 0.0 109.829 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mm -82.45 -33.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.949 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.89 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.082 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 65.01 54.68 1.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.317 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.91 -10.36 3.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.85 35.07 10.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.666 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -139.17 148.0 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 36' ' ' ALA . 31.3 mt -120.73 112.01 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.593 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.684 HG22 ' HB3' ' A' ' 30' ' ' HIS . 52.6 p -71.03 178.11 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.6 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -60.57 -38.37 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.73 0.3 . . . . 0.0 110.674 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -67.16 -43.0 83.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.44 -35.12 65.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -60.04 -42.65 94.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.286 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.6 mt -59.0 -45.01 92.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.229 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD22 ' HD3' ' A' ' 96' ' ' PRO . 63.5 tp -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.659 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -52.97 62.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.93 -28.73 70.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.447 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.514 ' O ' HG23 ' A' ' 79' ' ' VAL . 75.9 t60 -68.12 -34.72 76.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.515 HD12 HG23 ' A' ' 53' ' ' ILE . 97.1 mt -69.7 -38.71 77.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.046 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.637 HD12 HD13 ' A' ' 53' ' ' ILE . 1.8 mp -59.38 -43.54 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.97 -41.84 88.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 75' ' ' HIS . 91.4 t -63.5 -45.35 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.425 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.65 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.4 mmt -64.37 -17.59 63.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.452 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -89.97 -10.85 43.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.961 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.11 23.27 32.78 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.275 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -94.8 143.73 26.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.692 0.282 . . . . 0.0 111.318 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.1 Cg_exo -74.16 134.84 19.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 111.431 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.72 144.0 41.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.84 154.01 43.0 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.531 2.154 . . . . 0.0 112.502 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.16 -28.37 12.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.398 2.065 . . . . 0.0 111.665 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.38 152.7 36.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.5 tp -101.08 140.33 21.21 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 9.7 Cg_exo -74.21 153.73 46.16 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.789 2.326 . . . . 0.0 112.132 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 31.2 Cg_exo -60.68 -28.17 86.07 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.0 2.467 . . . . 0.0 113.01 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.25 -17.5 64.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 111.525 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -101.64 -1.07 33.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.305 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 92' ' ' PRO . 69.5 mt -78.3 124.8 85.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.691 0.281 . . . . 0.0 110.781 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HD3' HD22 ' A' ' 72' ' ' LEU . 32.1 Cg_endo -63.88 154.43 69.89 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.102 2.535 . . . . 0.0 112.803 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 48.3 Cg_exo -55.51 151.22 38.97 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.046 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.1 m 74.29 -36.54 0.33 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.272 0.629 . . . . 0.0 111.958 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.502 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.8 m-85 -88.41 7.87 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.116 0.484 . . . . 0.0 110.235 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.961 -179.033 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 9.4 t90 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.54 67.48 2.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.753 -169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 p -142.86 129.17 10.55 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.771 171.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 50.9 Cg_exo -54.48 141.99 71.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.07 2.513 . . . . 0.0 113.216 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 18.8 pt20 -60.43 -35.49 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.983 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -61.75 -42.25 98.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -66.15 -42.17 89.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 18.3 mtp180 -58.72 -38.41 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.36 -48.02 52.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.408 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.04 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.455 ' HB2' HG12 ' A' ' 71' ' ' ILE . 53.4 m-85 -86.03 -7.08 58.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.803 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.798 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' ' 22' ' ' SER . 9.7 tp -162.71 42.54 0.12 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.006 -166.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -38.99 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 58.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -46.82 -41.08 14.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -150.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.485 ' HB2' HD12 ' A' ' 19' ' ' LEU . 34.0 m -59.21 -23.08 61.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.752 0.706 . . . . 0.0 111.394 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -102.32 12.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.485 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.3 p-80 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.21 158.26 16.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.05 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 p -90.03 173.61 8.11 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.322 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.09 -64.46 3.97 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.378 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.17 -43.05 55.93 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.616 2.21 . . . . 0.0 112.594 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.4 -47.42 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.575 0.226 . . . . 0.0 110.954 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.533 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.74 -46.67 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.204 0.526 . . . . 0.0 110.58 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.51 -39.75 94.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.721 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 96.8 m -59.79 -45.25 92.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.954 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.35 -39.26 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.004 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 50' ' ' LEU . 61.1 mt -57.39 -42.81 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.251 176.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.3 mtp -68.41 -18.79 64.53 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.613 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -79.5 1.58 25.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 m -78.91 -85.02 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.416 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 m 175.86 -32.77 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.678 0.791 . . . . 0.0 109.942 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 69.0 mt -66.81 144.99 98.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.848 -173.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.76 177.85 7.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.846 2.364 . . . . 0.0 112.123 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.19 -37.89 72.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.099 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.87 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.333 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 15.1 mm100 -73.46 -38.96 65.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 40' ' ' LEU . 51.6 mt -62.15 -45.17 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.52 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.65 83.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.738 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 t -62.47 -49.28 76.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.14 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.69 -42.55 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.984 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HZ2' ' HA2' ' A' ' 63' ' ' GLY . 37.8 t-105 -57.91 -48.49 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.448 . . . . 0.0 110.295 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -60.65 -33.87 73.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.721 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.78 -37.45 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.522 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -78.97 -46.64 17.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.24 117.55 19.61 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 110.41 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.4 mm -94.42 -26.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.241 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.04 -15.86 18.09 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.225 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 72.29 21.9 3.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.523 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' HD3' ' A' ' 64' ' ' LYS . 22.7 t0 -73.77 -32.79 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.438 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 95.98 1.36 61.45 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.221 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 10.3 mptt -114.63 140.2 49.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.533 HD12 ' HB1' ' A' ' 36' ' ' ALA . 29.7 mt -108.48 122.89 47.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 30' ' ' HIS . 43.6 p -78.64 -169.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.35 -47.2 71.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.101 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.98 -35.25 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.501 ' HB3' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -70.12 -38.98 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.036 0.446 . . . . 0.0 110.156 177.656 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.69 -46.01 90.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 67' ' ' ALA . 78.5 mt -59.56 -41.11 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.338 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.465 HD22 ' HD3' ' A' ' 96' ' ' PRO . 49.6 tp -62.13 -51.7 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.76 -48.18 78.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.204 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.3 mmm -67.38 -29.29 68.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.335 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.9 t60 -68.01 -36.32 79.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.76 -36.08 70.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.834 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 81' ' ' MET . 24.4 mm -56.58 -49.78 76.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.903 173.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.6 -39.99 81.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.49 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' HIS . 97.6 t -64.51 -50.43 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -67.67 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.5 OUTLIER -59.02 -27.22 65.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.33 0.652 . . . . 0.0 111.29 176.189 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 t -87.71 6.57 34.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.4 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.54 25.34 43.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.619 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.421 ' HB2' HG12 ' A' ' 79' ' ' VAL . 30.4 mm-40 -100.8 147.83 34.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.549 0.214 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.83 153.38 33.24 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.759 2.306 . . . . 0.0 112.463 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 80' ' ' ALA . 91.3 mt -95.97 144.26 27.52 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.662 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 74.2 Cg_endo -81.46 154.8 18.57 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.701 2.267 . . . . 0.0 112.496 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.4 Cg_exo -74.52 -32.67 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.723 2.282 . . . . 0.0 111.025 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.36 147.98 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.234 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.1 tp -102.99 141.95 23.54 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.896 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 16.2 Cg_exo -71.1 153.09 62.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.62 2.214 . . . . 0.0 112.209 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 33.8 Cg_exo -59.1 -30.81 94.21 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.247 2.631 . . . . 0.0 113.529 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.3 mp0 -60.98 -28.62 69.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.691 0.281 . . . . 0.0 111.488 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -93.46 -5.0 50.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 92' ' ' PRO . 59.8 mt -90.57 126.65 55.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.676 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.465 ' HD3' HD22 ' A' ' 72' ' ' LEU . 37.0 Cg_exo -61.83 157.86 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.986 2.457 . . . . 0.0 112.056 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.27 175.3 5.97 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.97 2.446 . . . . 0.0 112.688 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m 70.65 -65.92 0.31 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.812 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -63.91 -10.57 21.75 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.43 179.649 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.99 126.97 84.86 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.4 Cg_exo -51.15 147.78 19.56 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.442 2.761 . . . . 0.0 113.28 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.48 -45.78 87.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.628 -175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -62.23 -34.15 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -70.79 -41.23 71.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 29.3 mtm180 -59.38 -38.04 79.48 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.85 -47.81 83.36 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 88.0 tttt -63.66 -42.63 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.412 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.446 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.5 m-85 -79.08 -18.21 53.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.81 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.6 tpt180 -75.02 -26.79 59.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 54.0 mt-30 -76.18 -17.38 59.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.638 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 22' ' ' SER . 5.2 tp -156.32 43.49 0.4 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.483 -168.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 6.2 t80 -38.67 -85.37 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 119.945 3.313 . . . . 0.0 119.945 57.764 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -47.13 -44.3 21.48 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -149.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' HD12 ' A' ' 19' ' ' LEU . 35.5 m -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.349 0.522 . . . . 0.0 112.007 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -103.14 9.78 38.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.73 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.6 t0 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.76 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' HB3' HG22 ' A' ' 66' ' ' THR . 13.1 p-80 . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 99.0 mt -116.57 154.44 30.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.986 173.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 p -81.7 171.75 14.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.437 0.161 . . . . 0.0 110.8 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.2 -64.71 4.04 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 113.34 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.38 -41.09 80.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.526 2.151 . . . . 0.0 112.381 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.55 -44.19 91.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.718 0.294 . . . . 0.0 110.8 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.05 -48.5 81.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 110.303 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -65.8 -29.14 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.941 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -60.77 -41.45 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.859 0.361 . . . . 0.0 110.506 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.15 -38.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 77' ' ' ILE . 71.7 mt -60.37 -39.58 87.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.053 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.48 -23.21 66.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -72.48 -9.99 59.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 111.097 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.8 -12.61 55.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.301 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t 64.95 25.22 12.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.43 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 77' ' ' ILE . 85.9 mt -79.83 151.41 73.67 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.586 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.02 154.35 52.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.327 2.018 . . . . 0.0 111.758 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.39 -24.98 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.825 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.47 -47.89 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.866 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.27 -39.13 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.423 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.92 -42.74 94.58 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.73 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.15 75.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.842 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -73.81 -47.69 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.08 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 76' ' ' LEU . 81.6 mt -60.97 -48.45 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -59.54 -46.9 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.354 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -60.18 -33.06 71.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.508 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.6 mt -74.46 -39.52 62.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.525 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 p -77.79 -37.93 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.49 111.82 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.65 -52.71 6.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -116.07 -22.79 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.602 ' NE2' HG23 ' A' ' 66' ' ' THR . 43.2 mt-30 -96.85 -22.48 16.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 -166.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 68.11 13.98 9.2 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.2 28.77 0.02 OUTLIER Glycine 0 C--N 1.319 -0.396 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.228 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 59.5 mttp -148.73 161.07 42.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.57 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.4 mt -125.39 117.03 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.712 0.291 . . . . 0.0 110.858 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.602 HG23 ' NE2' ' A' ' 61' ' ' GLN . 23.0 p -74.69 -175.82 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.28 -41.53 85.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 109.794 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.735 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 35.2 mp0 -64.25 -42.92 96.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.771 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.08 -33.26 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 110.365 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 9.3 t80 -66.03 -45.45 81.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.579 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -57.31 -45.02 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.108 0.48 . . . . 0.0 110.499 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 65.3 tp -60.5 -45.42 93.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.458 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.13 -52.32 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.759 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.505 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 36.3 mtp -67.98 -26.91 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.826 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.9 t60 -69.31 -37.47 77.79 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.739 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 89.0 mt -67.19 -37.61 83.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.197 0.523 . . . . 0.0 109.608 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 40' ' ' LEU . 62.6 mt -61.77 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.832 175.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.14 -38.67 73.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.6 t -70.52 -45.46 74.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.834 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -65.77 -34.33 77.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -57.51 -40.41 78.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.267 0.627 . . . . 0.0 110.754 177.637 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -67.53 -29.88 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.017 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.21 9.11 26.34 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.509 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.407 ' HB2' HG12 ' A' ' 79' ' ' VAL . 15.6 mm100 -76.12 144.99 76.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.25 . . . . 0.0 110.618 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.9 Cg_exo -68.63 139.11 43.46 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.747 2.298 . . . . 0.0 111.94 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 80' ' ' ALA . 85.7 mt -87.1 144.88 37.0 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.876 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 46.1 Cg_endo -71.74 153.35 59.23 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.178 1.919 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.6 Cg_exo -78.94 -36.19 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.796 2.33 . . . . 0.0 110.791 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 26.9 m -114.28 161.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.683 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.497 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 15.5 tp -119.02 138.88 26.61 Favored Pre-proline 0 C--N 1.319 -0.725 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.814 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.2 Cg_exo -83.28 153.92 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.182 2.588 . . . . 0.0 112.369 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 24.3 Cg_exo -65.41 -13.29 39.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.333 2.689 . . . . 0.0 113.448 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.36 -14.57 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -95.11 -25.41 16.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 69.4 mt -70.95 129.71 89.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.735 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 52.6 Cg_exo -55.77 153.6 29.8 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.85 2.366 . . . . 0.0 112.904 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 50.4 Cg_exo -54.85 150.05 39.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.965 2.444 . . . . 0.0 112.034 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 m 75.41 -28.36 0.19 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.457 0.703 . . . . 0.0 111.542 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -91.4 -15.45 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.591 0.234 . . . . 0.0 110.417 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.32 -179.09 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.81 41.65 0.28 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.98 125.08 24.78 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -51.22 148.9 17.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.992 2.461 . . . . 0.0 112.472 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 8.5 tm0? -64.43 -37.84 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.675 -175.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -66.94 -40.43 87.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.004 0.431 . . . . 0.0 110.154 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -67.64 -43.51 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 10.8 ptp180 -63.89 -33.06 74.84 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.656 0.265 . . . . 0.0 110.7 -177.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 mt -71.12 -40.19 71.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.268 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.32 -47.46 83.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.42 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HD2' HG23 ' A' ' 71' ' ' ILE . 7.3 m-85 -80.61 -30.0 36.82 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.737 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HB2' HD11 ' A' ' 71' ' ' ILE . 49.3 ttp85 -67.19 -25.32 66.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.24 -12.96 60.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.597 177.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 22' ' ' SER . 10.3 tp -153.21 38.36 0.5 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.531 -171.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.39 -85.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 61.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -49.01 -38.28 22.97 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -152.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.54 ' HB3' HD12 ' A' ' 19' ' ' LEU . 36.3 t -65.4 -27.76 68.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.608 0.64 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -91.64 -17.41 25.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.354 . . . . 0.0 110.663 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.704 179.191 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.6 p-80 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 122.321 1.057 . . . . 0.0 113.487 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.12 141.78 44.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.657 172.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -84.67 177.8 7.91 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.201 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.667 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.46 -64.66 3.69 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.218 -177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -48.24 23.02 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.877 2.384 . . . . 0.0 112.728 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.72 -55.15 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.494 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.404 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.0 ttm180 -70.78 -29.75 66.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.483 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 52.7 m -62.59 -42.74 99.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.387 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.9 mt -61.68 -42.37 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.403 0.621 . . . . 0.0 109.579 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.9 mt -59.26 -44.71 92.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.247 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -67.66 -34.0 76.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.12 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 38' ' ' THR . 47.0 mt-30 -74.5 0.71 13.85 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -77.51 -80.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -171.38 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.803 0.335 . . . . 0.0 110.819 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 50.6 mt -61.42 144.79 91.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.322 -170.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 18.8 Cg_exo -65.94 161.63 38.72 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.819 3.012 . . . . 0.0 112.706 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -58.75 -27.8 65.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.514 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.95 -51.31 64.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.454 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -65.36 -37.92 88.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.972 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 86.7 mt -59.77 -44.94 93.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.808 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.12 91.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.467 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.6 m -58.74 -49.34 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.149 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 77' ' ' ILE . 90.3 mt -66.06 -41.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.189 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.667 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 50.9 t-105 -61.13 -48.14 82.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.907 0.384 . . . . 0.0 110.349 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.13 -37.23 76.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.31 -29.13 61.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.787 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 73' ' ' ALA . 23.0 t -82.9 -48.78 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.051 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -79.57 104.53 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.181 0.515 . . . . 0.0 109.747 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.6 mm -71.0 -23.26 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.295 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 3.81 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 43.45 40.55 2.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.061 0.944 . . . . 0.0 111.339 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.36 -41.05 13.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.127 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.84 32.76 3.0 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -172.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 mtmp? -138.16 139.77 39.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.32 . . . . 0.0 110.616 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.3 mt -124.71 105.95 9.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.613 172.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 30' ' ' HIS . 53.3 p -79.56 -171.75 2.94 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.575 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -57.63 -52.48 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 111.226 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.655 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.89 -40.35 60.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.226 0.536 . . . . 0.0 110.085 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.539 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 28.5 t80 -67.35 -37.46 83.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.802 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 67' ' ' ALA . 82.3 mt -55.74 -44.17 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.099 0.476 . . . . 0.0 110.346 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.73 -47.09 87.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.328 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.96 -53.97 52.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.157 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.539 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 29.6 mtp -68.01 -24.78 65.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.692 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' VAL . 62.1 t60 -73.09 -34.41 66.18 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.81 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HB2' HG23 ' A' ' 53' ' ' ILE . 97.1 mt -65.7 -35.54 81.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 173.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 74' ' ' MET . 30.6 mm -56.84 -49.81 77.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 173.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.09 -39.58 78.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.3 t -63.37 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.659 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.5 -29.98 69.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 77' ' ' ILE . 19.3 mmt -60.33 -30.36 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 174.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -80.56 0.19 34.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.37 67.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -93.18 144.48 28.41 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 10.4 Cg_exo -71.97 134.73 24.02 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.939 2.426 . . . . 0.0 111.725 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.14 146.15 66.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.689 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.32 153.15 12.3 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.288 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.09 -7.47 8.1 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.567 2.178 . . . . 0.0 111.555 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.5 t -132.79 151.25 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.9 tp -104.28 140.15 20.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 11.1 Cg_exo -74.42 154.23 45.38 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.535 2.157 . . . . 0.0 111.692 174.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 95' ' ' ILE . 22.9 Cg_exo -64.62 -26.49 61.43 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.721 2.281 . . . . 0.0 112.126 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -66.67 -14.72 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.576 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -106.9 8.3 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.318 -0.238 . . . . 0.0 111.125 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 92' ' ' PRO . 66.3 mt -96.29 115.85 65.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 36.1 Cg_endo -65.34 154.45 73.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.654 2.236 . . . . 0.0 112.673 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 35.3 Cg_exo -60.38 159.83 25.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.796 2.331 . . . . 0.0 112.051 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 m 72.41 -50.19 0.7 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.69 0.619 . . . . 0.0 111.269 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -72.08 -5.87 38.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.311 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.103 176.234 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.401 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 10.3 t90 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.785 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.03 117.0 12.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.877 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.527 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 55.0 Cg_exo -38.01 130.91 0.9 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.704 2.936 . . . . 0.0 113.348 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 1.9 tt0 -55.93 -29.93 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.126 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -56.84 -41.53 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.9 m -70.32 -43.49 70.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 14.8 ptt180 -77.17 -32.03 55.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.34 -37.55 87.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.159 0.504 . . . . 0.0 110.663 174.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 39.1 tttp -66.11 -44.14 85.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 63.5 t80 -71.42 -32.12 68.03 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.006 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 43.4 ttp180 -57.53 -24.39 55.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.137 177.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-30 -82.84 -13.27 56.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.585 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -157.4 42.7 0.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.535 0.734 . . . . 0.0 110.304 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.5 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 120.0 3.333 . . . . 0.0 120.0 57.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.48 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.7 t-20 -46.88 -46.13 20.91 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -151.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.2 m -62.19 -25.43 67.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.595 0.634 . . . . 0.0 112.137 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -96.88 -44.21 7.14 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.616 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.379 -174.093 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.673 ' HB3' HG22 ' A' ' 66' ' ' THR . 19.9 p-80 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 70' ' ' PHE . 83.0 mt -100.67 165.86 11.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.9 p -87.58 165.68 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -49.85 -64.0 3.8 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.375 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -52.07 -45.73 37.04 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.602 2.201 . . . . 0.0 112.577 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.3 -53.19 61.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.621 0.248 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -57.64 -49.18 77.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.657 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 41' ' ' MET . 16.6 mtp180 -64.58 -34.35 78.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.807 -176.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 85.7 m -61.56 -43.02 99.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.491 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.68 -38.24 65.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.094 0.473 . . . . 0.0 110.094 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 74.6 mt -58.27 -41.94 85.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.682 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 92.5 mtp -69.78 -18.42 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 38' ' ' THR . 78.4 mm-40 -73.81 -1.61 20.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 p -79.74 -17.52 53.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.381 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 69.54 15.84 8.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.992 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.62 154.14 78.61 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.515 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.652 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 31.2 Cg_endo -65.09 145.49 84.95 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.144 1.896 . . . . 0.0 112.093 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -57.96 -28.7 64.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.566 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.63 88.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 38.6 mt-30 -73.25 -36.53 66.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.037 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.79 -43.53 98.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.85 89.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -66.62 -42.54 86.63 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 49' ' ' GLN . 82.8 mt -60.02 -47.36 92.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 56.1 t-105 -59.46 -49.89 76.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.32 -31.4 71.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.288 -177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -74.73 -38.59 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.466 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' 59' ' ' ILE . 71.0 p -77.85 -41.36 37.15 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -85.13 100.95 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' A' ' 99' ' ' PHE . 3.1 mp -73.16 -45.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.26 -26.71 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.335 -174.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 64.64 73.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.575 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -122.06 -24.34 5.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.151 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.75 32.33 2.92 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.29 -174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -142.28 170.61 15.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.5 mt -137.93 115.63 11.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.469 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.8 p -72.75 175.81 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.75 -45.0 93.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.135 0.493 . . . . 0.0 110.638 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 96' ' ' PRO . 16.0 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.328 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' HG2' HD13 ' A' ' 59' ' ' ILE . 49.2 mt-10 -75.46 -41.91 54.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.159 0.504 . . . . 0.0 111.432 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -65.8 -36.14 82.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 -177.338 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 67' ' ' ALA . 70.0 mt -55.71 -46.58 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.062 0.458 . . . . 0.0 109.931 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.9 tp -59.17 -43.75 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -50.96 71.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.342 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mtp -62.25 -33.93 75.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.527 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 81.0 t60 -69.17 -38.93 78.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.542 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.0 mt -64.66 -36.22 83.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.323 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.33 -49.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.823 176.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.0 -37.01 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 75' ' ' HIS . 84.7 t -67.31 -48.24 78.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 84' ' ' GLN . . . -62.08 -41.87 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 0.0 110.739 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -21.71 66.34 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.078 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 t -79.42 -4.35 50.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.787 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.46 0.51 55.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.074 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 15.8 mm100 -91.83 144.41 29.31 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-O 120.623 0.249 . . . . 0.0 110.535 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.38 174.29 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.578 2.185 . . . . 0.0 111.598 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 91.3 mt -96.58 143.08 25.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 6.5 Cg_exo -73.97 154.18 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.698 2.266 . . . . 0.0 112.169 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.21 -24.29 20.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.687 2.258 . . . . 0.0 111.696 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.13 147.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.402 177.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 19.0 tp -93.96 141.57 23.87 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.483 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.3 Cg_exo -76.35 152.86 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.409 2.072 . . . . 0.0 111.702 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.501 ' HA ' HD12 ' A' ' 95' ' ' ILE . 39.5 Cg_exo -58.21 -35.1 99.04 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.942 2.428 . . . . 0.0 112.497 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.43 -34.66 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.037 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -96.28 -2.45 45.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.555 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 92' ' ' PRO . 73.7 mt -79.45 124.03 84.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 27.5 Cg_endo -62.41 155.35 58.14 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.961 2.441 . . . . 0.0 112.369 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 22.2 Cg_exo -64.74 176.21 3.08 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.665 2.243 . . . . 0.0 111.892 177.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m 69.89 -59.28 0.51 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.207 0.603 . . . . 0.0 111.618 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.0 m-85 -84.71 17.59 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.65 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.007 0.432 . . . . 0.0 111.007 178.336 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.2 t90 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.13 49.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.419 HG21 HG22 ' A' ' 71' ' ' ILE . 7.2 p -133.73 130.85 20.89 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 172.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.35 142.27 22.83 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.559 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 48.0 mt-30 -65.06 -35.8 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -60.01 -40.31 88.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -68.99 -45.33 70.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.768 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptp180 -67.77 -30.41 69.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.698 0.285 . . . . 0.0 110.804 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.94 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.681 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.561 ' HB2' HG12 ' A' ' 71' ' ' ILE . 59.3 m-85 -87.62 -2.88 58.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.918 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -76.53 -33.18 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 162.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 26.3 mt-30 -79.54 -12.64 59.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.92 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 22' ' ' SER . 15.4 tp -155.71 44.28 0.45 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.799 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.472 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 2.3 m-85 -37.92 -83.93 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 55.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 64.6 t30 -46.64 -37.22 7.91 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -151.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' HD12 ' A' ' 19' ' ' LEU . 32.3 t -60.52 -24.05 65.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.438 0.563 . . . . 0.0 111.195 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -110.75 16.94 21.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 3.0 t70 . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.1 0.476 . . . . 0.0 111.558 -175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.537 ' HB3' HG22 ' A' ' 66' ' ' THR . 36.7 p-80 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 83.8 mt -95.14 157.18 16.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 p -90.44 169.6 10.92 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.618 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.55 -64.84 2.91 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.946 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -49.69 -45.04 33.41 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.705 2.27 . . . . 0.0 112.721 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.71 -54.98 40.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.865 0.364 . . . . 0.0 111.066 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.09 -47.55 84.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.15 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.11 -33.49 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.965 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.8 m -65.58 -41.67 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.57 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.79 -36.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.106 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 65.6 mt -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.683 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.15 -17.32 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.751 -175.287 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 38' ' ' THR . 93.0 mt-30 -63.02 -16.15 58.82 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.84 0.352 . . . . 0.0 111.484 -178.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.3 t -75.66 -6.36 50.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.921 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m 66.45 15.52 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.885 0.474 . . . . 0.0 111.668 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.72 151.21 67.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.04 135.87 44.5 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.902 2.402 . . . . 0.0 111.847 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.1 86.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.068 0.461 . . . . 0.0 109.93 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.46 -32.57 66.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.353 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 47' ' ' GLN . 91.6 mt -61.59 -44.01 97.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.38 177.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 67.1 m -60.62 -49.14 78.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.23 -42.83 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -57.46 -50.66 72.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.058 0.456 . . . . 0.0 109.932 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.35 -31.97 73.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.285 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 52' ' ' SER . 72.3 mt -70.09 -36.09 74.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.473 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -94.29 -20.76 19.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.564 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.3 123.89 20.78 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 111.445 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.62 -58.99 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.221 0.534 . . . . 0.0 109.575 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -165.68 39.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' OE1' ' HE2' ' A' ' 64' ' ' LYS . 15.5 mm-40 -86.93 -51.23 6.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.062 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 75.58 -35.42 0.27 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.292 0.995 . . . . 0.0 110.906 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.05 34.84 0.66 Allowed Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.284 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HE2' ' OE1' ' A' ' 61' ' ' GLN . 35.3 mtmm -146.47 161.22 40.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.544 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.3 mt -152.03 115.88 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.432 0.457 . . . . 0.0 109.813 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 30' ' ' HIS . 72.7 p -76.54 175.93 8.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -55.11 -51.59 65.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 111.584 -175.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.82 -29.63 68.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.708 -176.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.47 ' HB3' HD22 ' A' ' 65' ' ' LEU . 47.2 mt-10 -74.42 -43.85 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.232 0.539 . . . . 0.0 109.932 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.36 -41.97 85.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 16' ' ' TYR . 75.5 mt -59.9 -44.24 93.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.86 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 96' ' ' PRO . 57.6 tp -62.24 -49.12 76.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.1 85.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.534 ' O ' ' HB ' ' A' ' 77' ' ' ILE . 93.4 mmm -69.85 -28.34 65.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.327 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -71.51 -34.08 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.984 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.28 -29.49 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 74' ' ' MET . 31.2 mm -56.57 -48.61 80.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.304 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.8 -44.42 73.76 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.604 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.08 -51.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.753 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.21 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.29 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.4 ttt -63.99 -21.01 66.31 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.2 t -90.36 3.36 53.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.305 0.574 . . . . 0.0 110.267 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 19.49 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 16.3 mm100 -95.82 144.65 28.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.612 0.244 . . . . 0.0 110.99 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 5.1 Cg_exo -74.37 146.53 35.58 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.921 2.414 . . . . 0.0 111.862 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 84.7 mt -85.34 143.9 39.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.153 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.0 Cg_exo -70.28 153.08 66.86 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.535 2.157 . . . . 0.0 111.904 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.02 -22.96 16.56 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.579 2.186 . . . . 0.0 111.801 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.63 150.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.467 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 21.0 tp -99.91 141.25 22.42 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 15.9 Cg_exo -71.25 153.33 61.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.535 2.157 . . . . 0.0 111.888 174.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 23.7 Cg_exo -64.52 -29.74 61.57 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.929 2.419 . . . . 0.0 112.779 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.94 -13.8 61.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -91.24 -16.24 27.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.954 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.75 123.18 87.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.177 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.531 ' HD3' HD22 ' A' ' 72' ' ' LEU . 22.0 Cg_endo -61.57 154.42 59.86 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.762 2.308 . . . . 0.0 112.62 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.25 156.54 24.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.106 2.538 . . . . 0.0 112.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m 69.61 -53.78 0.6 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.375 0.67 . . . . 0.0 111.848 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -65.03 -9.51 22.51 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.691 0.397 . . . . 0.0 111.908 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.195 177.824 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.416 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 6.4 t90 . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 120.704 0.288 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.4 69.33 9.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.188 0.518 . . . . 0.0 112.016 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.33 129.14 14.28 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.01 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.83 136.11 22.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.327 2.685 . . . . 0.0 112.839 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.7 tt0 -59.68 -42.18 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.153 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -57.87 -34.14 69.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -71.69 -39.11 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.018 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -76.97 -32.29 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 0.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 73.6 mt -60.32 -42.61 95.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.295 171.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 45.4 tttp -58.4 -39.48 79.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.765 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.516 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 81.2 t80 -77.98 -32.79 51.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 120.216 -0.594 . . . . 0.0 112.139 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.7 ttp180 -58.0 -24.3 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.073 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 5.2 mt-30 -74.25 -14.13 60.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.199 -1.364 . . . . 0.0 112.4 176.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 tp -161.67 43.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.644 0.778 . . . . 0.0 109.912 -167.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -39.59 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 120.039 3.348 . . . . 0.0 120.039 57.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 62.9 t30 -46.09 -43.57 14.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -151.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 m -67.48 -23.77 65.52 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -112.69 -5.76 13.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.248 0.547 . . . . 0.0 111.106 -176.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.657 ' HB3' HG22 ' A' ' 66' ' ' THR . 27.7 p-80 . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 120.891 0.377 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.16 165.18 13.27 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.01 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.9 p -85.91 166.06 16.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.504 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.27 -63.75 3.81 Favored Glycine 0 N--CA 1.451 -0.332 0 O-C-N 123.639 0.587 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.13 -46.58 32.92 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.922 2.415 . . . . 0.0 113.061 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.86 -43.1 99.53 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.674 0.215 . . . . 0.0 111.362 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.72 -48.13 80.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.317 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -64.57 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.4 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 80.2 m -59.28 -53.35 59.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.543 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.51 -36.55 77.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.413 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.9 mt -60.75 -45.1 95.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.516 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 86.6 mmm -67.62 -22.94 65.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 38' ' ' THR . 72.9 mm-40 -67.7 -18.6 64.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.025 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -69.43 -21.89 63.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.489 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.8 m 68.56 24.42 6.97 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.565 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 81' ' ' MET . 77.5 mt -81.02 164.11 52.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.818 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 12.4 Cg_endo -57.97 128.78 30.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.736 2.29 . . . . 0.0 112.497 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -34.23 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.691 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.68 86.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.003 0.43 . . . . 0.0 110.739 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -43.25 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.135 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.88 -39.46 81.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.398 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.02 94.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 t -70.2 -45.69 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.008 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.75 -42.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -59.46 -50.95 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.653 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.37 -38.02 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.554 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.54 -35.25 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.42 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -71.72 -48.04 49.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.024 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -73.54 111.15 8.41 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.0 -37.57 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.405 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 18.0 t70 -79.61 -28.68 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.092 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 78.7 mt-30 70.59 37.97 1.37 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.782 0.801 . . . . 0.0 109.366 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.07 -31.59 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.446 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.73 26.95 5.12 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.141 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -140.91 -178.29 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.5 mt -144.42 116.95 8.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.989 0.181 . . . . 0.0 110.663 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.657 HG22 ' HB3' ' A' ' 30' ' ' HIS . 67.4 p -72.25 174.19 7.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.75 -53.59 53.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 45.8 mt-10 -67.7 -29.01 68.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.039 -174.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.5 -42.99 61.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.538 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -63.01 -33.45 75.46 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.535 176.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 67' ' ' ALA . 63.2 mt -57.44 -47.82 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.059 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 66.7 tp -59.3 -43.92 92.57 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.182 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.05 -48.88 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 3.3 mmt -58.05 -39.31 78.13 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.907 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' VAL . 68.8 t60 -65.31 -41.48 94.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 87.3 mt -69.3 -38.19 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 73' ' ' ALA . 32.0 mm -58.45 -46.52 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.94 -42.84 99.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.913 0.387 . . . . 0.0 110.597 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 75' ' ' HIS . 75.7 t -61.86 -48.97 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.855 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.1 98.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.558 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.42 -36.09 77.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 177.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -72.74 -18.57 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.3 27.86 10.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.256 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.467 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 79.4 mt-30 -103.34 144.39 28.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.6 Cg_exo -69.43 149.88 69.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.993 2.462 . . . . 0.0 113.024 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -102.94 146.92 33.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.846 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.86 154.41 30.0 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.443 2.096 . . . . 0.0 112.319 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.41 -27.41 16.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.412 2.074 . . . . 0.0 111.765 176.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.22 147.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.566 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 16.8 tp -92.38 141.56 24.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.1 Cg_exo -77.11 153.43 32.09 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.741 2.294 . . . . 0.0 111.784 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 31.5 Cg_exo -60.15 -33.89 94.69 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.886 2.391 . . . . 0.0 112.483 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.85 -28.0 69.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.631 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -90.2 -4.39 57.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.444 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 48.6 mt -85.2 126.44 67.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 39.9 Cg_exo -57.22 153.19 41.1 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.931 2.421 . . . . 0.0 112.913 -176.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 35.8 Cg_exo -60.21 157.41 35.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.823 2.349 . . . . 0.0 111.91 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m 71.74 -54.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.163 0.585 . . . . 0.0 111.269 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -71.75 -26.21 62.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.258 176.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.9 t90 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.92 13.88 0.34 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.0 p -117.01 126.76 27.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 53.4 Cg_exo -53.98 143.46 61.13 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.106 2.537 . . . . 0.0 112.961 -176.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.9 pt20 -66.51 -29.76 69.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.534 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -64.07 -43.15 96.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.2 . . . . 0.0 110.862 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 p -72.03 -32.77 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.819 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 78.9 mtp180 -61.0 -45.54 94.42 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.258 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 82.1 mt -58.63 -40.85 84.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.394 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.39 -49.21 74.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.588 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HB2' HG12 ' A' ' 71' ' ' ILE . 20.6 m-85 -79.0 -20.38 49.23 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.522 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -66.21 -29.31 69.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 170.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.59 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.5 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.316 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.6 tp -156.76 40.53 0.34 Allowed 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.15 -172.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -37.01 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 59.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.59 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 27.6 t-20 -47.01 -45.92 21.51 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -153.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.494 ' HB2' HD12 ' A' ' 19' ' ' LEU . 25.4 m -59.89 -24.79 64.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 118.196 0.453 . . . . 0.0 111.758 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -93.19 -15.64 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.0 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.382 0.611 . . . . 0.0 110.943 -176.684 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.606 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.33 163.43 12.54 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.338 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -98.68 169.57 9.39 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.709 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -50.83 -65.83 2.81 Favored Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.63 0.581 . . . . 0.0 113.593 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 -39.96 88.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.912 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.49 -42.67 74.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.953 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.626 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.8 -45.41 92.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.009 0.433 . . . . 0.0 110.483 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -61.59 -29.95 70.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.914 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.9 m -61.5 -42.87 99.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.566 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.34 -40.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 86.5 mt -58.48 -36.43 73.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.169 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ttt -64.65 -21.87 66.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.594 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -76.03 3.44 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.748 0.309 . . . . 0.0 111.572 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 p -93.76 -11.59 31.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.289 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 m 63.35 23.84 13.94 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.436 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.9 149.8 60.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.12 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.93 146.92 96.96 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.914 2.409 . . . . 0.0 111.829 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -58.84 -33.95 71.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.938 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.88 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.081 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.54 -36.78 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.58 -44.62 96.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.015 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.69 87.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.394 . . . . 0.0 110.514 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 m -62.76 -49.56 74.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.797 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.536 HD13 HD12 ' A' ' 77' ' ' ILE . 88.3 mt -61.87 -42.04 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 178.16 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.428 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 51.9 t-105 -55.93 -54.08 49.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -66.47 -30.35 70.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.328 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -73.12 -28.37 62.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -93.69 -54.49 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.219 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 62' ' ' ASP . 8.5 t70 -63.21 117.48 6.63 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.45 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.72 -67.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.258 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.73 17.82 2.16 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 111.69 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.561 HE22 ' HG3' ' A' ' 69' ' ' GLU . 41.2 mt-30 -95.88 -42.53 8.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.693 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 19.8 t70 57.02 23.47 8.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.641 177.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.96 22.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.971 -1.109 . . . . 0.0 114.072 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -149.3 133.3 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.394 0.597 . . . . 0.0 109.771 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.626 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.7 mt -118.7 115.3 24.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.749 0.309 . . . . 0.0 110.227 175.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.3 p -88.32 -169.11 2.43 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.89 90.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.72 0.295 . . . . 0.0 110.514 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -65.42 -43.88 89.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.325 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG3' HE22 ' A' ' 61' ' ' GLN . 5.1 mm-40 -73.0 -43.04 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.616 -173.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 74' ' ' MET . 58.1 t80 -60.07 -45.01 94.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.966 -176.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 16' ' ' TYR . 74.3 mt -62.32 -40.48 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.745 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.6 -53.14 52.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.505 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.38 70.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.764 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 95.5 mmm -66.16 -27.95 68.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -175.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -71.07 -34.33 71.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 53' ' ' ILE . 95.5 mt -69.12 -35.49 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.801 175.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.536 HD12 HD13 ' A' ' 53' ' ' ILE . 1.4 mp -57.68 -42.69 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.462 175.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.8 -48.47 81.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.686 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.444 HG12 ' HB2' ' A' ' 84' ' ' GLN . 52.5 t -62.71 -46.4 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.46 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -64.63 -20.38 66.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.069 0.461 . . . . 0.0 111.055 177.771 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.416 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 8.8 t -87.28 5.75 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.25 26.71 69.77 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.335 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HB2' HG12 ' A' ' 79' ' ' VAL . 28.1 mm-40 -89.87 144.05 31.01 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.585 0.231 . . . . 0.0 110.553 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.4 Cg_exo -73.22 138.41 27.67 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.961 2.441 . . . . 0.0 111.842 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 94.8 mt -91.76 143.94 28.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.291 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.4 Cg_exo -75.44 154.31 40.35 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.01 2.474 . . . . 0.0 112.084 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.41 -37.14 74.07 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.4 m -136.25 142.36 38.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.898 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -82.74 142.37 45.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 16.5 Cg_exo -69.66 152.92 69.93 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.18 1.92 . . . . 0.0 111.842 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 24.7 Cg_exo -64.37 -19.13 65.19 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.08 2.52 . . . . 0.0 112.924 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.93 -24.74 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -94.48 -14.54 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 124.95 80.05 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 152.8 40.41 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.584 2.189 . . . . 0.0 112.686 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.05 143.73 99.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.874 2.382 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.8 m 73.51 -22.56 0.23 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.268 0.627 . . . . 0.0 111.994 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.25 5.73 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 110.051 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.685 -179.287 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.88 49.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -171.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG13 ' HD3' ' A' ' 13' ' ' ARG . 7.6 p -140.13 130.79 14.04 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.724 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.552 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.1 Cg_endo -50.04 129.41 24.88 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.477 2.785 . . . . 0.0 113.197 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.6 -39.94 74.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.521 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -55.48 -45.43 76.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -70.96 -34.04 71.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.642 ' HD3' HG13 ' A' ' 8' ' ' VAL . 20.1 mtm180 -62.6 -47.02 85.64 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -51.21 63.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -59.41 -41.78 90.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.19 -175.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.591 ' HD1' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -98.45 -2.0 40.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HG3' ' HB1' ' A' ' 67' ' ' ALA . 22.6 ttt180 -77.82 -27.74 50.09 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 162.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.56 -12.43 60.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 113.91 -1.495 . . . . 0.0 111.962 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 22' ' ' SER . 14.1 tp -158.67 44.68 0.28 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.686 -174.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -37.21 -80.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 58.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -47.26 -47.82 24.8 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -154.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.547 ' HB3' HD12 ' A' ' 19' ' ' LEU . 38.8 t -61.75 -23.23 66.03 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.035 -0.416 . . . . 0.0 111.995 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -92.73 1.65 57.16 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.515 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.516 ' HB3' HG22 ' A' ' 66' ' ' THR . 23.0 p-80 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -106.05 147.51 28.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.7 p -97.34 179.02 5.03 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -44.62 -64.82 1.95 Allowed Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.751 0.657 . . . . 0.0 113.598 -178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.95 -47.52 22.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.553 2.169 . . . . 0.0 113.174 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.17 -44.39 92.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.586 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -64.63 -44.17 91.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.446 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -62.26 -30.42 71.1 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.527 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.1 m -61.04 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.743 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.16 -36.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.168 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.0 mt -59.58 -37.35 78.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.333 0.587 . . . . 0.0 110.64 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.73 -26.52 67.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.219 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.1 mm-40 -77.85 -9.27 58.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.0 t -75.29 -14.85 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.344 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m 69.85 21.3 6.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.325 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.99 149.61 40.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 51.7 Cg_endo -70.37 158.87 54.84 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.499 2.132 . . . . 0.0 112.221 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.46 -33.22 73.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.62 72.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.948 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.483 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.9 mm100 -73.49 -42.84 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.419 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 40' ' ' LEU . 77.5 mt -59.43 -41.57 89.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.682 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.83 92.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.935 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.8 t -63.15 -45.29 92.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.967 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.9 -45.7 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.744 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.537 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 52.0 t-105 -59.16 -50.3 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.722 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -36.18 76.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.194 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 mt -74.18 -38.88 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.819 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.3 t -74.54 -54.53 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.856 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -61.76 120.31 10.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.12 -35.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.922 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.38 -5.59 10.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.916 0.389 . . . . 0.0 111.452 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 67.56 32.77 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.524 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.57 -34.13 53.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.786 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 108.02 32.89 3.15 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -136.02 148.73 48.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 110.488 177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' HB1' ' A' ' 36' ' ' ALA . 26.7 mt -131.57 105.94 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.389 172.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 30' ' ' HIS . 45.0 p -73.13 -177.36 2.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB1' ' HG3' ' A' ' 17' ' ' ARG . . . -56.35 -52.83 63.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 111.46 -177.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 71' ' ' ILE . 45.8 mt-10 -69.22 -28.06 66.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.96 -177.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.16 -36.37 64.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 0.0 109.826 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' HE1' ' HD1' ' A' ' 16' ' ' TYR . 47.0 t80 -59.03 -40.69 85.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.869 174.255 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 68' ' ' GLU . 72.2 mt -60.12 -46.09 94.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.446 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.84 -47.18 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.721 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.92 87.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.018 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.9 mmt -64.84 -32.89 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.423 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.491 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.1 t60 -66.25 -37.79 86.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.71 -38.47 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.142 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.13 -44.63 98.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.77 -44.61 86.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.988 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 75' ' ' HIS . 73.4 t -62.52 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.662 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.07 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.389 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -35.2 78.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.34 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -84.68 10.43 11.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.083 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.01 77.75 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.152 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.431 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . 28.0 mm-40 -92.65 144.43 28.66 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 146.21 37.98 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 113.269 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.92 143.34 26.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.004 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.7 Cg_endo -79.76 155.93 24.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.797 2.332 . . . . 0.0 112.742 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -75.35 -33.51 4.2 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.763 2.308 . . . . 0.0 111.062 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 t -124.36 149.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 17.8 tp -101.53 139.94 20.82 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.495 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.1 Cg_exo -79.54 152.95 23.34 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.706 2.271 . . . . 0.0 111.535 176.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.53 -29.24 77.79 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.313 2.675 . . . . 0.0 113.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.876 0.369 . . . . 0.0 110.818 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.86 -14.74 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 91' ' ' PRO . 59.9 mt -77.17 128.08 81.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 45.3 Cg_exo -56.86 152.59 41.98 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.39 2.06 . . . . 0.0 111.969 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 13.5 Cg_exo -69.41 158.66 56.61 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.873 2.382 . . . . 0.0 112.076 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m 73.02 -54.32 0.7 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.781 0.675 . . . . 0.0 111.921 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -60.2 -15.39 23.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.636 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.541 -177.782 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t90 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -59.81 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -168.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 13' ' ' ARG . 7.7 p -63.11 120.9 65.55 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.641 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.22 134.49 44.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.014 2.476 . . . . 0.0 112.611 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 15.3 pt20 -51.58 -47.79 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.274 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -59.69 -43.6 93.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.777 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 17.3 m -70.54 -41.42 72.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptt180 -72.96 -30.83 64.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.169 -174.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -66.39 -36.18 82.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 110.278 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' SER . 80.9 tttt -60.22 -47.08 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.03 175.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.525 ' HD2' HG23 ' A' ' 71' ' ' ILE . 5.3 m-85 -74.79 -27.9 60.5 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.176 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.613 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -65.07 -27.32 68.69 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -78.55 -13.22 59.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.266 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 22' ' ' SER . 8.5 tp -153.82 38.58 0.47 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.79 -173.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 19.4 t80 -34.77 -79.33 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 61.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 39.4 t30 -47.24 -47.76 24.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -154.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.599 ' HB3' HD12 ' A' ' 19' ' ' LEU . 24.1 t -64.28 -24.43 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -92.0 -11.49 35.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.691 0.281 . . . . 0.0 110.964 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.075 0.464 . . . . 0.0 110.396 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.69 ' HB3' HG22 ' A' ' 66' ' ' THR . 17.8 p-80 . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 120.718 0.294 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 85.3 mt -97.22 146.4 25.14 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -73.83 165.63 24.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.697 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 34' ' ' PRO . . . -47.61 -62.9 3.75 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.521 174.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 33' ' ' GLY . 10.2 Cg_endo -51.32 -46.45 31.29 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.903 2.402 . . . . 0.0 112.803 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.64 -52.35 66.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -56.82 -47.22 80.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.821 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' MET . 23.9 mtm180 -67.92 -37.28 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.891 -177.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 89.8 m -62.11 -41.35 98.13 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.04 -38.42 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.266 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 58.6 mt -60.31 -43.73 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 93.6 mmm -61.12 -24.41 66.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.487 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 38' ' ' THR . 15.3 mm-40 -70.08 -10.25 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.712 -176.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -77.01 -16.3 59.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 110.214 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m 68.22 13.3 9.04 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.064 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.91 148.14 63.83 Favored Pre-proline 0 N--CA 1.454 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.127 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 31.8 Cg_endo -65.62 156.04 65.88 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.688 2.259 . . . . 0.0 112.761 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -30.77 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.114 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.539 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.7 mm100 -73.72 -45.0 54.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.02 177.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.96 -45.24 90.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.791 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.65 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.28 -47.31 77.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.466 HG23 HD12 ' A' ' 76' ' ' LEU . 87.3 mt -62.84 -42.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -60.27 -50.19 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.6 -33.89 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.195 0.522 . . . . 0.0 110.538 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 90' ' ' LEU . 80.3 mt -73.3 -37.93 66.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.375 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.516 ' HA ' HD23 ' A' ' 72' ' ' LEU . 23.0 t -79.26 -42.76 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.882 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -81.98 99.31 9.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 99' ' ' PHE . 4.2 mp -74.88 -26.19 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.501 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -117.56 5.6 12.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 46.72 45.76 14.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.317 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.72 -19.83 30.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.58 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.33 17.83 58.25 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.722 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -137.27 151.62 48.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.563 HD12 ' HB1' ' A' ' 36' ' ' ALA . 24.9 mt -122.87 109.33 14.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.623 0.249 . . . . 0.0 110.88 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 30' ' ' HIS . 45.3 p -71.35 -174.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.77 -53.7 54.95 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.783 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.14 -36.82 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.444 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -72.01 -43.51 64.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.945 0.403 . . . . 0.0 110.216 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.644 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 52.7 t80 -63.81 -37.18 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.525 HG23 ' HD2' ' A' ' 16' ' ' TYR . 58.3 mt -55.82 -45.93 79.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.617 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 57' ' ' SER . 65.4 tp -61.57 -48.08 82.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.876 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.72 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.644 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 2.0 mmt -63.28 -33.13 74.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.348 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' O ' HG23 ' A' ' 79' ' ' VAL . 74.6 t60 -69.14 -39.89 78.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.114 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.466 HD12 HG23 ' A' ' 53' ' ' ILE . 99.1 mt -64.07 -36.19 83.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.164 176.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -60.66 -50.8 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.41 -43.84 84.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.919 0.39 . . . . 0.0 110.582 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 84' ' ' GLN . 95.9 t -63.05 -47.98 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.126 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -66.08 -27.87 68.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 111.072 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.4 mmm -67.86 -23.33 65.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.267 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -87.48 -0.27 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.195 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.4 7.69 63.32 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.031 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -75.92 144.02 75.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.731 0.265 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.1 Cg_exo -74.17 133.9 18.56 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.682 2.255 . . . . 0.0 112.066 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 80' ' ' ALA . 91.9 mt -81.43 143.41 51.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.8 Cg_endo -82.8 154.03 15.17 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.527 2.151 . . . . 0.0 112.258 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.7 Cg_exo -75.19 -30.54 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.99 151.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.002 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.416 ' HB2' HD22 ' A' ' 56' ' ' LEU . 21.1 tp -99.28 142.25 24.28 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 11.8 Cg_exo -72.87 153.3 53.04 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.596 2.197 . . . . 0.0 111.784 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HA ' HD12 ' A' ' 95' ' ' ILE . 27.6 Cg_exo -62.52 -27.4 76.77 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.046 2.497 . . . . 0.0 113.059 -175.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 42.5 mp0 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.24 -4.72 51.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.164 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 92' ' ' PRO . 69.4 mt -86.38 125.68 66.93 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.58 154.54 64.28 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.887 2.391 . . . . 0.0 112.088 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.15 157.5 44.3 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.693 2.262 . . . . 0.0 112.124 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 m 75.01 -27.83 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.573 0.749 . . . . 0.0 111.654 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 59' ' ' ILE . 94.9 m-85 -91.24 -0.52 57.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.241 175.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.952 -179.594 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.14 29.69 0.09 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -122.57 132.53 24.25 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 50.7 Cg_exo -53.76 146.96 42.66 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.998 2.465 . . . . 0.0 112.473 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 48.7 tt0 -62.54 -42.7 99.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -59.66 -38.02 80.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 110.193 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.87 -38.6 70.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.589 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 28.9 mtp180 -55.3 -50.83 68.56 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.64 -39.61 91.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.188 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.98 -48.0 83.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.118 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.536 ' HB2' HG23 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.01 -25.48 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.221 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -69.72 -24.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.8 mt-30 -72.35 -14.01 61.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.814 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.574 ' O ' ' HE2' ' A' ' 70' ' ' PHE . 8.4 tp -155.46 43.79 0.45 Allowed 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.288 -170.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -40.19 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 120.507 3.521 . . . . 0.0 120.507 58.483 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.2 t-20 -46.47 -36.68 6.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -150.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' HD12 ' A' ' 19' ' ' LEU . 46.2 m -57.99 -24.28 57.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.006 0.821 . . . . 0.0 111.787 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -102.43 -12.64 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' HB2' ' HD2' ' A' ' 20' ' ' PHE . 23.8 t70 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.697 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.615 ' HB3' HG22 ' A' ' 66' ' ' THR . 4.1 p-80 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.813 0.339 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 20' ' ' PHE . 91.7 mt -103.53 160.72 14.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.88 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -86.32 174.52 8.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.767 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.82 -64.13 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.39 -41.59 71.83 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.762 2.308 . . . . 0.0 112.789 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -55.62 -53.54 55.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -59.83 -50.49 73.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.779 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -62.91 -34.73 78.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.5 m -66.02 -47.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.627 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.04 -38.25 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.167 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 57.8 mt -55.43 -45.7 76.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.306 177.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.02 -28.16 62.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.454 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 38' ' ' THR . 74.0 mt-30 -80.07 7.57 8.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.7 m -80.4 -86.22 0.08 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.89 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -175.46 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.119 0.568 . . . . 0.0 111.231 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -105.97 145.7 31.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.131 -0.356 . . . . 0.0 111.738 -169.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 83.8 Cg_endo -79.07 171.02 16.98 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.93 2.42 . . . . 0.0 112.349 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.55 -31.53 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.795 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.39 80.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -72.8 -39.23 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.48 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 79.4 mt -58.57 -41.04 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.09 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.001 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -67.89 -42.73 80.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.45 HD13 HD13 ' A' ' 77' ' ' ILE . 82.8 mt -66.07 -42.65 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.747 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.9 -47.88 82.98 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -52.16 -41.64 62.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.315 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.5 mt -73.89 -41.53 62.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.939 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -77.72 -36.57 50.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.35 85.14 2.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.256 0.551 . . . . 0.0 109.554 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' A' ' 99' ' ' PHE . 36.9 mm -72.28 -45.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.952 -172.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.17 11.35 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.003 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 43.99 38.17 2.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.969 0.908 . . . . 0.0 112.05 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -110.93 -7.95 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.307 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.31 27.5 55.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.845 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -137.09 127.3 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.582 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.0 mt -101.74 113.11 26.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 -177.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.615 HG22 ' HB3' ' A' ' 30' ' ' HIS . 67.7 p -75.02 176.1 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.781 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.27 -53.28 55.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.607 0.241 . . . . 0.0 111.395 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.59 -35.8 78.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.66 -43.14 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.235 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HE2' ' O ' ' A' ' 19' ' ' LEU . 65.2 t80 -64.54 -39.57 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.559 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 16' ' ' TYR . 89.7 mt -60.34 -43.08 92.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.061 0.457 . . . . 0.0 110.111 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' A' ' 90' ' ' LEU . 63.8 tp -61.54 -46.46 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.257 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.06 -47.83 81.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.332 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 30.8 mmt -59.18 -37.6 77.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.909 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.469 ' O ' HG23 ' A' ' 79' ' ' VAL . 80.3 t60 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.329 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -65.04 -36.07 83.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 176.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' A' ' 81' ' ' MET . 27.3 mm -56.52 -51.07 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.726 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.06 -38.37 90.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 75' ' ' HIS . 91.9 t -63.03 -49.41 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.649 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.846 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.514 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.53 -28.68 69.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.465 175.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -79.86 -11.38 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.177 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.95 6.65 55.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.774 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HB2' HG12 ' A' ' 79' ' ' VAL . 15.2 mm100 -82.92 143.58 46.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.591 0.234 . . . . 0.0 110.758 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.33 150.1 22.21 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.474 2.116 . . . . 0.0 112.248 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.502 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 77.2 mt -110.54 143.45 28.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.472 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.5 Cg_exo -75.63 154.48 39.6 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.043 2.495 . . . . 0.0 112.134 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.21 -29.91 21.02 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 111.597 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.4 136.82 54.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.536 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.449 ' CD2' HD21 ' A' ' 72' ' ' LEU . 22.0 tp -92.8 141.2 24.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.519 ' O ' HG13 ' A' ' 95' ' ' ILE . 25.6 Cg_exo -65.53 152.66 81.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.451 2.101 . . . . 0.0 111.951 174.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 17.2 Cg_exo -67.49 -22.84 44.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.874 2.382 . . . . 0.0 112.773 -175.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.92 -14.56 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.89 -19.87 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 91' ' ' PRO . 37.6 mt -83.26 123.81 76.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.061 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.3 Cg_endo -60.68 153.17 63.9 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.296 1.998 . . . . 0.0 111.905 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 27.8 Cg_exo -62.55 152.86 75.17 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.91 2.407 . . . . 0.0 112.094 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 m 73.3 -40.84 0.48 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 123.918 0.761 . . . . 0.0 111.742 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' HB3' HG21 ' A' ' 59' ' ' ILE . 88.5 m-85 -67.04 -19.38 65.67 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 110.831 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.095 176.523 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 t90 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.12 4.82 11.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.16 125.55 74.36 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.29 149.34 37.57 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.677 2.251 . . . . 0.0 112.75 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.71 -37.15 83.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.167 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -63.91 -42.69 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.527 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -62.78 -44.47 96.1 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.71 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -54.26 -54.23 42.86 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.41 -37.35 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.536 0.522 . . . . 0.0 111.591 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -49.44 76.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.039 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.07 -15.92 27.12 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.192 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 17' ' ' ARG . 23.6 ttt85 -68.84 -25.64 64.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -73.44 -14.8 61.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.27 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.4 tp -156.85 40.13 0.33 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.354 -169.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.94 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 119.423 3.12 . . . . 0.0 119.423 60.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.08 -42.64 29.3 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.496 ' HB2' HD12 ' A' ' 19' ' ' LEU . 28.3 m -61.67 -30.95 71.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.379 0.536 . . . . 0.0 111.662 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -89.64 -26.67 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.052 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.283 0.563 . . . . 0.0 111.122 -176.69 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.616 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.1 p-80 . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.891 0.853 . . . . 0.0 112.836 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -106.88 160.27 15.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.69 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.6 p -87.37 168.91 12.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.107 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.92 -63.63 4.62 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.132 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.75 -45.75 30.46 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.8 2.333 . . . . 0.0 113.054 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.77 -48.4 80.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 110.833 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.631 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -57.8 -48.35 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.673 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 41' ' ' MET . 87.0 mtt180 -64.18 -36.35 83.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.541 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.4 m -63.42 -45.92 88.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.37 -33.68 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.276 0.56 . . . . 0.0 110.06 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 59.1 mt -59.08 -41.55 88.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.062 175.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 67.7 mtt -66.71 -21.42 66.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.832 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.54 -14.8 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.439 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.3 p -85.71 -15.77 41.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.381 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 64.98 16.6 10.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.472 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.38 151.92 87.73 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.888 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.8 142.21 83.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.056 2.504 . . . . 0.0 112.257 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -32.01 68.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.621 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.12 71.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.9 mm100 -59.83 -47.0 87.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.308 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.43 -41.98 86.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.538 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.68 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.855 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.94 -44.29 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.822 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.714 HD13 HD12 ' A' ' 77' ' ' ILE . 95.7 mt -61.27 -46.07 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.836 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -60.25 -49.69 76.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.41 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -58.05 -36.38 72.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.714 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 90' ' ' LEU . 55.5 mt -74.22 -39.08 63.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.862 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -77.43 -39.66 46.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.754 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.749 ' OD2' ' HA ' ' A' ' 61' ' ' GLN . 16.6 t70 -68.75 103.26 1.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.52 -65.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.788 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -113.22 21.25 15.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.324 0.583 . . . . 0.0 110.963 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.749 ' HA ' ' OD2' ' A' ' 58' ' ' ASP . 69.8 mt-30 68.39 85.9 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.382 177.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -133.42 -26.93 1.6 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.233 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.44 24.87 66.96 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.936 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -138.03 128.68 26.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 mt -94.6 115.29 27.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.896 0.379 . . . . 0.0 110.991 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 30' ' ' HIS . 81.5 p -76.29 -170.32 1.43 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.069 173.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.44 -53.45 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.15 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -34.46 78.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.59 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.41 -41.1 63.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.936 0.398 . . . . 0.0 110.091 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.65 -40.96 98.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.472 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.15 -44.43 91.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.08 -49.57 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.698 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.97 51.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.942 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.435 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 11.9 mtp -68.85 -19.85 64.27 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.68 -177.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.52 -38.09 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.52 HD12 HG23 ' A' ' 53' ' ' ILE . 97.6 mt -64.53 -41.66 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.595 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 53' ' ' ILE . 1.6 mp -59.9 -44.06 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 173.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.69 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.79 -44.67 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.797 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -59.92 -17.56 38.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.246 176.009 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 m -84.5 -1.81 56.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.405 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.82 -7.6 59.24 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.279 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -92.74 144.32 28.42 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-O 120.727 0.298 . . . . 0.0 111.308 -177.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 6.4 Cg_exo -74.85 174.53 12.58 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.103 2.535 . . . . 0.0 112.525 178.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.6 mt -120.55 154.58 56.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.916 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 31.4 Cg_exo -61.76 153.88 64.6 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.138 2.559 . . . . 0.0 112.488 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.87 -31.81 23.98 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.684 2.256 . . . . 0.0 112.407 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.08 152.04 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.76 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB2' HD22 ' A' ' 56' ' ' LEU . 19.2 tp -83.71 140.78 41.04 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.4 Cg_exo -76.73 154.81 34.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.765 2.31 . . . . 0.0 112.136 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.86 -21.3 71.97 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.91 2.407 . . . . 0.0 112.749 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.18 -15.05 61.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -108.75 10.45 26.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.275 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.6 HG22 ' HB3' ' A' ' 100' ' ' ARG . 47.2 mt -89.25 117.77 68.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.83 151.34 84.67 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.586 2.19 . . . . 0.0 112.492 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.95 -36.09 32.09 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 111.561 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.0 m -73.24 0.77 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.73 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.07 -36.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.6 ' HB3' HG22 ' A' ' 95' ' ' ILE . 12.4 ptm180 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.66 0.267 . . . . 0.0 110.929 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.405 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 20.2 t90 . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.46 65.68 7.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.63 124.55 24.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.119 167.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.6 135.82 48.75 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 112.393 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 52.3 tt0 -56.37 -48.67 76.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -176.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -60.26 -35.42 75.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -75.19 -45.89 37.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.2 ptm180 -67.35 -31.73 72.17 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 -175.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.7 -39.33 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.04 -39.53 90.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' HD2' HG23 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.952 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.56 ' HB2' HD11 ' A' ' 71' ' ' ILE . 20.6 ttt180 -63.78 -24.36 67.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 5.0 mt-30 -72.42 -14.08 61.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.024 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 22' ' ' SER . 12.6 tp -155.61 38.46 0.38 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.292 -172.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -35.62 -81.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 119.738 3.236 . . . . 0.0 119.738 61.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.583 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 26.5 t-20 -47.44 -40.9 19.18 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -154.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.534 ' HB2' HD12 ' A' ' 19' ' ' LEU . 45.1 m -61.42 -23.35 65.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.389 0.54 . . . . 0.0 111.757 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -94.8 -2.75 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.087 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.852 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.556 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.2 p-80 . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 122.473 1.13 . . . . 0.0 113.914 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.7 145.12 37.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.491 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 p -85.47 166.29 16.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.336 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.55 -63.22 2.85 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.694 -0.684 . . . . 0.0 113.686 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.38 -47.43 22.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.724 2.282 . . . . 0.0 113.031 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.56 -46.8 88.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.026 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.21 -47.61 82.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 177.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.501 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.1 m -61.84 -40.63 95.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG21 ' HZ ' ' A' ' 70' ' ' PHE . 60.4 mt -74.44 -34.6 36.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.413 . . . . 0.0 110.434 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 71.9 mt -60.13 -40.35 89.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.674 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.18 -18.83 64.86 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.874 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -69.83 -12.23 61.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.262 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.2 p -75.41 -21.06 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t 67.63 16.23 9.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -85.93 156.83 57.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.52 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 20.0 Cg_endo -61.74 147.87 94.34 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.853 2.369 . . . . 0.0 112.681 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -58.0 -31.04 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.974 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.619 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.1 mm100 -73.5 -42.3 62.01 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.096 178.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.98 -47.79 83.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.379 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.67 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -63.85 -40.84 97.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.17 -43.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.174 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -59.21 -49.59 77.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.119 0.485 . . . . 0.0 110.361 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.19 -35.87 74.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.904 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.7 mt -75.14 -30.87 60.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.737 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -68.32 -50.99 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.597 -173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -92.77 119.46 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.201 0.524 . . . . 0.0 109.858 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 59' ' ' ILE . 3.4 mp -71.88 -34.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.251 -175.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -108.87 -13.53 14.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.58 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 66.28 54.31 0.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.151 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -89.93 -22.88 21.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.27 1.83 44.51 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.474 -0.87 . . . . 0.0 114.21 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 8.9 mptt -117.84 138.05 52.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.702 0.751 . . . . 0.0 110.22 178.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 69' ' ' GLU . 18.8 mt -112.23 106.69 15.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.213 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 30' ' ' HIS . 17.5 p -83.77 -163.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.33 -53.18 61.24 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.04 -38.86 92.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.575 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HB3' HD22 ' A' ' 65' ' ' LEU . 2.0 mp0 -73.45 -41.91 62.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.961 0.41 . . . . 0.0 110.478 -175.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 56.9 t80 -68.91 -39.88 79.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.742 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 17' ' ' ARG . 61.5 mt -58.92 -38.61 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.431 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.2 tp -61.13 -50.63 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.277 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.18 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -60.11 -38.15 82.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -69.79 -34.67 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.202 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -67.94 -39.82 83.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 81' ' ' MET . 30.5 mm -58.82 -44.43 90.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.195 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.73 -41.29 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.028 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.58 -43.73 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.978 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.46 76.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -58.66 -26.22 63.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 111.257 178.825 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.449 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 22.8 t -75.46 -13.21 60.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.688 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.69 21.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.532 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 14.4 mm100 -93.79 144.51 28.28 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 120.606 0.241 . . . . 0.0 110.783 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.7 Cg_exo -69.21 151.75 72.19 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.985 2.457 . . . . 0.0 112.152 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.45 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.4 mt -94.85 144.33 27.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.082 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 8.3 Cg_exo -72.37 153.68 55.86 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.67 2.246 . . . . 0.0 111.965 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.86 -39.09 15.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.697 2.265 . . . . 0.0 111.77 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.83 157.47 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.526 176.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.17 140.81 49.5 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 4.8 Cg_exo -78.17 153.71 28.39 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.535 2.157 . . . . 0.0 111.959 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' A' ' 95' ' ' ILE . 51.9 Cg_exo -57.19 -28.08 77.67 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.989 2.459 . . . . 0.0 112.286 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.18 -40.94 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.936 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -95.77 13.28 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.437 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 92' ' ' PRO . 68.2 mt -86.61 113.18 51.53 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 8.1 Cg_exo -72.5 155.88 54.65 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.138 2.559 . . . . 0.0 112.547 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 99' ' ' PHE . 32.5 Cg_exo -58.92 159.86 20.08 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 0.0 111.84 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 m 71.71 -14.14 0.52 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.162 0.585 . . . . 0.0 111.63 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 97' ' ' PRO . 87.3 m-85 -123.07 18.08 10.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.512 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.395 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 7.0 t90 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.335 0.588 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.87 59.08 2.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.208 -168.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.615 170.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.68 137.63 20.56 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.081 2.521 . . . . 0.0 112.993 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.19 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.041 -175.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 p -62.19 -39.79 93.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.951 0.405 . . . . 0.0 110.311 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m -69.98 -41.9 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.929 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -55.75 -53.0 62.0 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.614 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.34 -45.79 83.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.727 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.67 -46.92 70.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.54 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.55 -6.99 59.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.203 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -75.91 -37.24 58.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -77.18 -14.41 59.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 22' ' ' SER . 6.4 tp -157.01 44.26 0.37 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.538 -170.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.675 ' CE2' ' HG ' ' A' ' 31' ' ' LEU . 8.0 t80 -39.32 -88.33 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 58.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.414 ' HA ' ' HD1' ' A' ' 20' ' ' PHE . 37.9 t30 -51.67 -37.11 49.1 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -149.63 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 19' ' ' LEU . 20.3 t -63.35 -23.57 67.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.527 0.603 . . . . 0.0 110.995 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -73.35 -9.89 59.17 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.285 . . . . 0.0 110.92 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.258 -178.479 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.6 ' HB3' HG22 ' A' ' 66' ' ' THR . 5.4 p-80 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.56 0.695 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.675 ' HG ' ' CE2' ' A' ' 20' ' ' PHE . 79.9 mt -110.04 160.74 16.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.68 172.33 8.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.34 3.63 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.017 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -52.86 -47.38 27.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.12 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.329 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.56 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.46 -47.26 84.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.512 . . . . 0.0 111.0 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -68.26 -28.61 67.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.972 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 93.8 m -64.73 -45.04 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 0.0 110.21 176.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.49 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.191 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.4 mt -59.75 -40.45 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.93 -23.36 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.358 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -66.66 -17.63 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 111.477 -177.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -79.17 -8.12 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.52 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 m 60.05 27.11 16.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.85 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.71 150.17 72.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.36 143.92 41.92 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.778 2.319 . . . . 0.0 112.007 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.94 -38.06 72.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.31 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.269 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.73 -42.25 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.366 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.95 -44.18 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.376 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.09 96.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 t -65.68 -48.56 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.236 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.419 HD13 HD12 ' A' ' 77' ' ' ILE . 91.1 mt -59.03 -46.06 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.691 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -58.39 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.368 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.1 -33.59 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.932 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.51 -38.3 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.136 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -91.1 -1.07 57.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.31 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.1 96.27 8.0 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.1 mp -96.46 -41.76 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.473 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.89 -18.78 46.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.697 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 65.5 24.45 11.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.421 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.28 -14.22 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.5 32.73 21.5 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.821 175.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.73 131.77 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.56 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.8 mt -103.34 117.7 35.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.94 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 30' ' ' HIS . 41.3 p -72.31 -172.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.566 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.97 -47.94 72.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.959 0.409 . . . . 0.0 110.23 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.48 -43.21 93.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.919 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' HB3' HD22 ' A' ' 65' ' ' LEU . 36.7 mt-10 -69.22 -33.79 73.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.44 -47.41 84.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 67' ' ' ALA . 71.8 mt -59.57 -45.5 93.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.346 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.17 -48.47 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.25 66.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.3 mtp -68.87 -21.23 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.347 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.545 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.2 t60 -68.62 -34.09 75.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.416 HD12 HG23 ' A' ' 53' ' ' ILE . 96.7 mt -67.34 -37.76 83.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.116 175.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 53' ' ' ILE . 1.9 mp -64.64 -42.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.48 -39.47 73.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.78 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 75' ' ' HIS . 88.0 t -67.0 -50.63 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.899 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.01 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.421 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.9 67.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.37 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 t -85.37 -2.38 58.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.346 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.56 9.78 61.11 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.427 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.425 ' HB2' HG12 ' A' ' 79' ' ' VAL . 13.6 mm100 -90.58 146.46 34.34 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.567 0.222 . . . . 0.0 110.874 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -79.67 178.49 7.26 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.242 . . . . 0.0 112.415 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.2 mt -112.38 144.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.1 Cg_exo -80.19 153.37 21.57 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.056 2.504 . . . . 0.0 111.839 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -74.65 -41.4 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 111.423 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 t -113.82 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.2 tp -108.6 141.74 23.93 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 12.4 Cg_exo -72.42 151.7 53.93 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.225 1.95 . . . . 0.0 112.227 177.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 34.5 Cg_exo -62.11 -22.67 74.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.339 2.693 . . . . 0.0 113.077 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.2 mp0 -66.59 -19.91 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.6 0.238 . . . . 0.0 111.161 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -95.87 3.37 53.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.2 mt -98.29 120.23 60.02 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 154.4 37.44 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.753 2.302 . . . . 0.0 112.742 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.84 -30.38 85.05 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.448 2.766 . . . . 0.0 112.691 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 m -58.46 -26.07 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.297 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -111.58 25.08 12.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.601 ' HA ' ' NE ' ' A' ' 100' ' ' ARG . 2.3 mmp_? . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.505 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 6.1 t90 . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.75 49.27 0.62 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.158 -168.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.2 p -123.96 125.73 25.78 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 74.6 Cg_exo -52.23 145.65 34.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.261 2.641 . . . . 0.0 113.279 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.45 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.197 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 m -59.74 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.909 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -67.68 -43.48 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.83 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 90.8 mtt180 -55.99 -51.9 66.11 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.564 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.64 -45.95 91.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.748 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -63.05 -45.5 91.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.369 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.91 -9.34 57.08 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -75.41 -31.85 60.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -78.8 -13.69 59.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.592 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 22' ' ' SER . 6.8 tp -156.18 42.6 0.39 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.153 -171.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.39 -85.23 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 57.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -48.2 -31.35 5.66 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -150.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.551 ' HB2' HD12 ' A' ' 19' ' ' LEU . 44.3 m -60.14 -24.56 64.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.991 0.814 . . . . 0.0 110.831 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -102.12 4.52 39.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -176.322 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.617 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.2 p-80 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 122.119 0.962 . . . . 0.0 113.525 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 166.1 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.111 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -88.86 171.04 10.21 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.21 3.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.448 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.52 -42.2 68.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.629 2.219 . . . . 0.0 113.091 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -63.62 -46.76 84.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.644 0.259 . . . . 0.0 110.716 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.23 -48.91 78.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.366 176.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -64.97 -33.78 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.708 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.3 m -65.56 -42.18 92.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.694 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.58 -42.94 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 110.075 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 54.5 mt -57.81 -42.77 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.788 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 ttp -68.96 -18.17 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.607 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 38' ' ' THR . 82.7 mm-40 -69.74 -6.4 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 111.269 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -72.55 -10.21 59.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m 67.71 20.81 9.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.978 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.47 151.51 56.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' OE1' ' A' ' 49' ' ' GLN . 34.2 Cg_exo -60.05 146.91 94.95 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.637 2.225 . . . . 0.0 111.681 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.1 -27.27 63.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.678 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.11 -51.23 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' O ' HG13 ' A' ' 53' ' ' ILE . 49.1 mt-30 -68.48 -41.34 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.378 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.01 -42.32 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.66 94.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.49 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.8 t -62.9 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.054 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.582 HD13 HD12 ' A' ' 77' ' ' ILE . 92.9 mt -61.63 -45.1 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -59.69 -49.38 77.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.358 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.06 -35.29 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.723 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 52' ' ' SER . 70.7 mt -73.46 -34.16 65.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.592 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.439 ' HA ' HD23 ' A' ' 72' ' ' LEU . 32.3 t -79.58 -56.26 4.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.023 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -69.98 98.21 1.25 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -50.77 -60.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.792 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.09 11.72 31.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 0.0 110.341 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 58.97 73.19 0.49 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.093 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -96.63 -39.49 9.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.704 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.98 6.72 32.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.904 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -131.54 128.05 38.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.556 HD12 ' HB1' ' A' ' 36' ' ' ALA . 23.0 mt -96.04 116.34 28.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.6 p -82.06 -170.9 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.51 -41.96 83.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.029 0.443 . . . . 0.0 110.019 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 1.7 mp0 -57.94 -46.71 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.385 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.08 -43.5 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.019 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.579 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 35.3 t80 -57.48 -46.49 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.182 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 67' ' ' ALA . 75.0 mt -61.2 -42.68 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.992 0.425 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.1 tp -61.43 -50.35 73.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.38 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.84 63.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 90.8 mmm -65.96 -25.82 67.29 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 79' ' ' VAL . 83.1 t60 -67.06 -34.46 77.72 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 53' ' ' ILE . 94.5 mt -70.7 -40.09 73.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.149 176.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.582 HD12 HD13 ' A' ' 53' ' ' ILE . 1.7 mp -58.81 -42.88 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.0 -41.56 78.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.152 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 75' ' ' HIS . 57.7 t -73.51 -51.07 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.956 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.76 -28.79 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.806 -175.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -55.42 -31.14 61.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.77 0.428 . . . . 0.0 111.722 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 t -78.88 -2.67 40.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.922 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.79 23.65 29.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.883 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -86.84 146.76 41.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 122.366 0.266 . . . . 0.0 110.733 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.68 152.37 42.42 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.591 2.194 . . . . 0.0 111.421 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 85.1 mt -110.58 144.03 29.38 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.609 0.243 . . . . 0.0 110.807 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 16.2 Cg_exo -68.51 154.85 70.85 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.952 2.435 . . . . 0.0 112.281 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.75 -36.31 11.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.568 2.179 . . . . 0.0 112.231 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.8 m -129.01 166.93 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.77 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.66 141.78 23.33 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.71 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 51.8 Cg_endo -73.06 153.78 52.27 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.025 1.817 . . . . 0.0 112.157 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 43.3 Cg_exo -58.09 -33.35 97.26 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 0.0 114.054 -174.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' OE2' ' HB2' ' A' ' 91' ' ' PRO . 1.3 pm0 -80.22 -13.37 59.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.195 -0.315 . . . . 0.0 111.4 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.71 ' HB2' ' HG2' ' A' ' 91' ' ' PRO . 0.5 OUTLIER -89.75 -9.17 50.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 0.0 110.68 177.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 58.4 mt -78.03 126.52 83.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.841 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 24.4 Cg_exo -63.73 153.88 72.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.716 2.278 . . . . 0.0 112.79 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.35 157.1 12.22 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.266 2.644 . . . . 0.0 112.139 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 m 75.59 -35.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.505 0.722 . . . . 0.0 111.16 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 85.1 m-85 -87.29 -16.2 35.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.274 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.853 -177.537 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 2.1 t90 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.249 0.547 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.87 39.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.395 -0.82 . . . . 0.0 113.022 -170.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.78 116.72 26.26 Favored Pre-proline 0 C--N 1.316 -0.851 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 143.28 47.15 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.613 2.209 . . . . 0.0 112.017 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.546 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 28.8 tt0 -57.21 -46.31 83.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -178.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -56.93 -37.54 71.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -71.77 -45.86 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.437 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 11.3 ptm180 -66.9 -32.31 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.605 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 55.2 mt -62.34 -38.69 90.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.35 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.182 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.496 ' HB2' HG12 ' A' ' 71' ' ' ILE . 10.3 m-85 -81.42 -28.62 34.21 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.588 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 7.3 ttt180 -68.46 -25.62 65.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.444 0.64 . . . . 0.0 109.405 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -76.62 -12.64 60.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.836 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 22' ' ' SER . 7.9 tp -156.09 39.87 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.23 -170.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -36.09 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 119.204 3.038 . . . . 0.0 119.204 60.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.9 t30 -47.78 -45.25 29.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -152.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.521 ' HB2' HD12 ' A' ' 19' ' ' LEU . 53.0 m -71.22 -24.52 62.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.432 0.56 . . . . 0.0 112.414 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -94.78 -6.43 43.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.717 0.294 . . . . 0.0 110.341 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.388 0.613 . . . . 0.0 110.878 -179.163 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.766 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.6 p-80 . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.08 140.38 31.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.0 p -77.41 175.17 10.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.802 177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -63.71 4.08 Favored Glycine 0 C--N 1.33 0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.053 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.62 -43.22 52.04 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.731 2.288 . . . . 0.0 112.774 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -60.46 -53.22 60.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.72 -49.03 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.888 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.97 -36.59 81.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.953 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.6 m -62.5 -40.95 98.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.46 -40.14 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.283 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 69.3 mt -56.65 -45.9 81.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.88 -16.64 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 38' ' ' THR . 76.6 mm-40 -71.41 -3.69 22.27 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 111.23 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 p -82.16 -3.93 55.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m 66.03 20.94 11.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.864 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 mt -97.49 147.74 33.43 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.253 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 20.0 Cg_exo -62.33 148.7 92.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 111.946 177.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.94 -20.05 65.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.74 -42.01 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.694 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.81 -38.79 89.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.298 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.0 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.301 . . . . 0.0 111.107 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -48.21 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 77' ' ' ILE . 89.8 mt -64.53 -37.63 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.052 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -58.79 -50.63 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.48 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.02 -33.85 73.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.55 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.77 -31.28 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -83.7 -50.55 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -68.53 113.31 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 99' ' ' PHE . 37.5 mm -91.95 -22.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 110.74 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -96.85 -17.24 20.32 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.526 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 66.53 31.5 7.92 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -88.68 -10.91 46.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.645 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.37 25.14 61.82 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.71 151.55 39.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD12 ' HB1' ' A' ' 36' ' ' ALA . 41.0 mt -122.27 118.27 28.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.766 HG22 ' HB3' ' A' ' 30' ' ' HIS . 71.3 p -74.72 -171.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 174.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.82 -53.22 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.516 0.198 . . . . 0.0 111.094 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -34.02 76.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.292 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.91 -41.56 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 59.5 t80 -59.6 -41.94 91.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.802 175.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 17' ' ' ARG . 65.0 mt -56.51 -46.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.828 175.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.5 tp -60.71 -52.57 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.929 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -53.6 56.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.759 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 96.7 mmm -65.81 -28.25 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.452 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' HG23 ' A' ' 79' ' ' VAL . 79.7 t60 -69.42 -34.76 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 53' ' ' ILE . 97.9 mt -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.572 HD12 HD13 ' A' ' 53' ' ' ILE . 1.5 mp -58.38 -43.78 87.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.866 172.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.19 -41.67 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 75' ' ' HIS . 89.8 t -62.58 -44.8 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.488 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -62.68 -42.25 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 177.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -25.54 67.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.323 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 m -81.4 1.94 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.691 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.95 14.56 72.12 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.593 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 28.8 mm-40 -93.82 146.44 31.72 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 11.9 Cg_exo -70.87 150.81 62.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.896 2.398 . . . . 0.0 112.478 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 93.0 mt -90.49 144.76 31.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.32 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 6.5 Cg_exo -73.94 153.71 47.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 178.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 3.1 Cg_exo -77.28 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 175.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.54 153.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.9 tp -83.44 140.41 41.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.697 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.4 Cg_exo -81.88 154.63 17.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.774 2.316 . . . . 0.0 111.881 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.66 -19.61 54.02 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 112.514 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 6.2 mm-40 -76.53 -19.87 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.022 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 91' ' ' PRO . 34.0 m-85 -100.71 3.17 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.146 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.9 mt -81.67 120.06 76.94 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 26.6 Cg_exo -63.41 151.72 83.53 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.46 2.107 . . . . 0.0 112.176 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 34.7 Cg_exo -62.54 -33.2 79.13 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.015 2.477 . . . . 0.0 112.947 -176.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -76.82 -21.62 54.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.2 m-85 -119.24 33.1 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.383 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -177.742 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.9 t90 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 58.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.53 127.15 20.48 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.422 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.31 142.65 87.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.591 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.1 tp60 -55.4 -48.26 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.918 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -57.88 -35.12 70.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.843 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -75.63 -45.19 38.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.529 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 33.0 ptt180 -72.07 -32.34 66.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.73 -39.2 93.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.528 0.68 . . . . 0.0 110.211 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -38.83 92.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.869 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -91.83 -18.7 23.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.754 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -70.99 -25.83 62.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -70.88 -15.98 62.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.029 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 22' ' ' SER . 9.6 tp -161.81 41.33 0.14 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.421 -166.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -37.45 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 60.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -48.12 -44.34 31.87 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -152.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB3' HD12 ' A' ' 19' ' ' LEU . 21.4 t -62.91 -23.87 67.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.708 0.685 . . . . 0.0 111.383 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -92.38 -0.35 57.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.235 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.753 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 35.6 p-80 . . . . . 0 CA--C 1.516 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.99 151.24 21.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 p -88.7 173.63 8.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.56 -64.97 3.06 Favored Glycine 0 CA--C 1.518 0.223 0 O-C-N 123.623 0.577 . . . . 0.0 113.191 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -45.7 37.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.567 2.178 . . . . 0.0 112.597 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.83 -43.66 98.4 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.0 111.068 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -65.5 -47.0 77.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.632 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 37' ' ' ARG . 23.0 mtp180 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.721 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 86.1 m -65.97 -36.79 84.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.5 -36.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.332 0.587 . . . . 0.0 109.904 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.4 mt -62.2 -44.09 97.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.665 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 38' ' ' THR . 23.0 ptp -66.77 -17.54 64.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.408 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 38' ' ' THR . 78.4 mt-30 -65.93 -14.6 61.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -82.42 -13.32 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.151 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m 63.16 30.39 15.99 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.571 177.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 81' ' ' MET . 89.7 mt -87.82 150.61 48.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.59 140.99 54.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.84 2.36 . . . . 0.0 112.63 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -37.06 73.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.261 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.58 88.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.991 0.424 . . . . 0.0 110.749 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -69.25 -40.38 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.219 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.37 -48.11 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -67.18 -42.22 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.64 -41.62 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -56.63 -49.99 73.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.811 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.17 -34.77 75.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.354 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.3 mt -73.67 -31.79 63.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.539 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 t -85.58 -25.68 26.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.6 140.56 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.489 0.662 . . . . 0.0 111.587 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.5 mt -124.31 -28.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.72 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -163.83 5.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -136.86 79.41 1.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.098 0.952 . . . . 0.0 110.15 -176.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.61 -16.54 49.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.017 -170.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.63 25.63 4.71 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 119.552 -1.308 . . . . 0.0 113.775 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -142.8 138.2 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.533 0.666 . . . . 0.0 110.845 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 69' ' ' GLU . 18.9 mt -126.26 113.09 16.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 30.1 p -77.23 -170.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.71 -38.53 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.91 -43.76 94.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.42 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' HD22 ' A' ' 65' ' ' LEU . 1.6 mp0 -72.47 -37.77 68.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.648 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -62.04 -45.62 92.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.728 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.2 mt -59.41 -43.86 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.27 177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 90' ' ' LEU . 53.7 tp -61.61 -49.91 74.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.38 -52.57 64.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.489 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 21.4 mtp -74.08 -19.23 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.945 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.43 ' O ' HG23 ' A' ' 79' ' ' VAL . 29.7 t60 -69.45 -36.12 76.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 171.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.02 -38.72 66.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.787 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 74' ' ' MET . 31.4 mm -56.33 -45.86 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.492 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.19 -36.45 75.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 75' ' ' HIS . 78.9 t -74.62 -46.99 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.16 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.272 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.403 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.3 -11.88 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.702 177.347 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.1 t -92.66 12.08 24.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 109.989 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.05 15.44 81.65 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.329 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 33.0 mm-40 -79.95 147.08 65.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.874 0.369 . . . . 0.0 111.501 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 3.0 Cg_exo -76.34 153.94 35.94 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.017 2.478 . . . . 0.0 111.014 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.3 mt -100.65 143.15 26.01 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.363 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 1.4 Cg_endo -81.52 155.3 18.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.041 2.494 . . . . 0.0 112.279 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.65 -44.43 17.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 111.493 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.9 t -121.06 155.02 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 72' ' ' LEU . 18.6 tp -96.85 143.92 26.96 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -59.35 152.47 60.49 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.07 1.847 . . . . 0.0 111.936 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.91 -40.66 20.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.796 2.331 . . . . 0.0 113.067 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HA ' ' NH2' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -70.01 -14.84 62.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 111.699 -178.132 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -82.94 -16.16 48.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.338 . . . . 0.0 110.178 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.53 118.86 72.7 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 26.4 Cg_endo -62.31 153.37 70.74 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.524 2.15 . . . . 0.0 112.487 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 31.5 Cg_exo -61.68 156.91 45.03 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.635 2.223 . . . . 0.0 111.615 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m 75.07 -42.63 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.36 0.664 . . . . 0.0 111.198 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -76.13 -8.79 57.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.054 0.455 . . . . 0.0 110.63 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.451 ' NH2' ' HA ' ' A' ' 93' ' ' GLU . 88.4 mtt180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 N--CA 1.479 0.656 0 N-CA-C 110.621 -0.569 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -76.62 166.06 27.85 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.381 2.054 . . . . 0.0 110.964 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 3' ' ' VAL . 25.2 t 61.92 29.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 122.155 0.978 . . . . 0.0 110.098 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.79 11.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.971 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -98.61 141.04 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.71 120.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 124.026 0.829 . . . . 0.0 110.075 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -5.53 33.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 126.59 82.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.71 137.28 21.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.161 2.574 . . . . 0.0 113.116 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.17 -42.82 86.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.497 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.32 -34.75 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.352 . . . . 0.0 110.487 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -70.33 -45.46 66.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' GLN . 27.1 ptt180 -61.46 -35.14 76.77 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 34.2 mt -66.53 -37.37 84.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.76 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -69.58 -36.04 75.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.172 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.481 ' HB2' HG12 ' A' ' 71' ' ' ILE . 37.2 m-85 -81.24 -35.0 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.659 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.639 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 2.6 tmm_? -61.34 -25.93 67.48 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -74.6 -13.9 60.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.178 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 22' ' ' SER . 7.2 tp -156.72 39.2 0.32 Allowed 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.383 -170.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.24 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 60.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.608 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 48.5 t30 -47.56 -45.92 27.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -152.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.554 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.5 t -63.51 -22.8 67.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -96.5 -7.82 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.574 ' OD2' ' HB3' ' A' ' 28' ' ' SER . 9.6 t70 -96.1 144.87 25.97 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -81.93 31.58 0.37 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 0.0 110.369 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.6 p 49.9 40.96 22.05 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.922 0.889 . . . . 0.0 111.401 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.9 ttt -159.6 -27.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.574 ' HB3' ' OD2' ' A' ' 24' ' ' ASP . 9.2 t -69.43 -54.34 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.219 -175.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.41 85.35 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.268 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.7 p-80 -169.31 151.44 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -107.15 137.76 44.6 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.918 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -72.83 165.01 25.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.803 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.76 -63.91 2.06 Favored Glycine 0 C--N 1.335 0.472 0 CA-C-O 119.647 -0.53 . . . . 0.0 113.637 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.31 -45.36 34.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.756 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -59.59 -53.38 58.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.792 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -59.06 -46.83 87.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.762 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -64.03 -32.35 73.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.568 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 96.6 m -62.34 -46.0 90.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.806 0.336 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.44 -34.76 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.135 0.493 . . . . 0.0 110.026 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.9 mt -64.78 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.9 mtp -62.87 -28.85 70.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.595 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 7.4 mm-40 -76.6 7.18 4.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.899 0.38 . . . . 0.0 111.464 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.9 p -84.9 -19.48 32.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 67.97 21.38 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.583 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.434 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 88.3 mt -87.31 158.55 51.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 30.0 Cg_endo -63.96 142.43 81.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.727 2.285 . . . . 0.0 112.654 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.18 -34.85 74.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.093 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.742 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.26 -37.36 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.868 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -58.81 -47.49 84.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.21 83.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.2 m -65.32 -48.75 71.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.63 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 HD12 ' A' ' 77' ' ' ILE . 79.4 mt -63.02 -38.54 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -60.08 -51.11 71.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.557 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.35 -34.76 74.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.05 -39.42 65.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.355 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -71.92 -61.39 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.457 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.46 104.98 0.69 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.23 -28.89 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.743 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.99 9.53 12.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.753 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 49.33 63.64 2.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.804 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -96.12 -42.17 8.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.545 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.9 21.46 8.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.797 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -138.87 130.4 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.4 mt -109.39 114.92 28.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.6 p -76.18 -170.63 1.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -64.79 -41.14 96.05 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.362 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 22.8 mp0 -64.29 -45.14 89.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.145 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.536 ' HB3' HD22 ' A' ' 65' ' ' LEU . 6.8 mm-40 -69.68 -36.09 75.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.05 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.3 mt -59.2 -41.87 85.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.002 0.429 . . . . 0.0 110.094 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.42 -52.39 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.639 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.69 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.146 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 mtp -64.98 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.579 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.8 t60 -67.17 -34.37 77.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.8 -37.24 76.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.225 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.435 HD12 HD13 ' A' ' 53' ' ' ILE . 1.7 mp -59.7 -40.96 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -39.91 95.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.0 t -61.2 -44.13 97.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.295 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.28 -38.31 89.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.5 mmt -63.08 -41.34 99.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -68.45 -12.79 61.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 25.86 59.57 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.055 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 94.5 mt-30 -101.25 144.64 28.96 Favored Pre-proline 0 N--CA 1.447 -0.593 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 17.6 Cg_exo -66.87 137.69 45.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.837 2.358 . . . . 0.0 112.735 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.8 mt -83.77 145.9 48.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.796 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.93 154.12 33.37 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.127 1.885 . . . . 0.0 112.042 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.35 -27.29 16.37 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.453 2.102 . . . . 0.0 111.636 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 t -132.5 149.98 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.408 HD23 HG12 ' A' ' 95' ' ' ILE . 19.3 tp -81.86 141.12 47.27 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.486 ' O ' HG13 ' A' ' 95' ' ' ILE . 87.4 Cg_endo -88.54 152.87 6.4 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.277 1.984 . . . . 0.0 112.171 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.86 -16.94 52.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.02 2.48 . . . . 0.0 111.703 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -58.6 -35.13 71.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.447 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.25 10.38 18.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.75 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 91' ' ' PRO . 67.8 mt -94.62 118.9 66.83 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 25.5 Cg_exo -63.3 154.06 70.42 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.904 2.402 . . . . 0.0 112.529 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.75 157.16 44.06 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.084 2.522 . . . . 0.0 112.083 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.7 m 74.52 -34.84 0.28 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.524 0.729 . . . . 0.0 111.916 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.41 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 86.9 m-85 -86.15 3.16 43.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.097 0.475 . . . . 0.0 110.524 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -88.6 -4.9 58.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.759 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -151.93 116.68 5.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.802 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.74 101.58 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.777 0.799 . . . . 0.0 111.388 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -138.33 104.08 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.651 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.808 HD23 ' H ' ' A' ' 104' ' ' LEU . 2.0 pt? -93.93 22.35 5.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.98 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.33 141.67 51.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -138.06 -4.29 1.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -51.94 103.92 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -151.27 109.74 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.413 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -135.59 100.09 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.097 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -149.99 84.35 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.932 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.643 174.546 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 2.2 Cg_endo . . . . . 0 N--CA 1.477 0.531 0 N-CA-C 110.327 -0.682 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 16.9 Cg_exo -66.55 153.73 76.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.816 2.344 . . . . 0.0 112.199 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 t -80.28 90.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.218 0.533 . . . . 0.0 110.43 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 97' ' ' PRO . . . -115.46 92.82 4.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.253 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.64 146.71 23.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.878 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -143.81 113.46 7.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -84.06 68.25 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.319 0.58 . . . . 0.0 112.189 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.73 132.07 16.13 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.684 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.65 121.65 8.31 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.153 2.569 . . . . 0.0 112.568 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.6 tp-100 -53.98 -53.31 54.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.639 -174.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 m -58.45 -49.13 78.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -67.54 -34.3 76.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.111 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.622 ' HB2' HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -75.37 -34.61 61.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.502 -175.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 58.6 mt -64.38 -34.86 79.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -61.47 -40.92 96.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.798 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.476 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.1 m-85 -80.58 -22.13 41.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.704 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 71' ' ' ILE . 31.4 ttt85 -68.98 -26.43 65.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.705 0.764 . . . . 0.0 109.249 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -75.6 -13.58 60.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.559 -1.201 . . . . 0.0 112.027 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.604 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 9.2 tp -157.98 40.11 0.27 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.009 -170.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -35.9 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 119.501 3.149 . . . . 0.0 119.501 62.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -47.62 -52.36 18.19 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.746 1.157 . . . . 0.0 113.666 -156.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.529 ' HB2' HD12 ' A' ' 19' ' ' LEU . 73.9 m -72.19 -25.0 61.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.59 0.632 . . . . 0.0 111.808 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 37.4 m170 -75.5 -41.14 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.291 176.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.65 160.23 31.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -80.66 -28.03 36.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 27' ' ' MET . 13.4 t -154.73 25.59 0.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' THR . 20.1 ptm 51.63 29.44 5.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.46 1.104 . . . . 0.0 111.94 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.9 m -156.88 23.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.867 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.32 -13.33 31.09 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.108 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.661 ' HB3' HG22 ' A' ' 66' ' ' THR . 25.3 p80 52.9 124.69 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.723 1.209 . . . . 0.0 112.623 -174.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 134.04 42.2 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.382 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.2 p -75.85 174.3 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.03 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.511 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.68 -65.99 2.84 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.17 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.44 -44.4 49.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.17 . . . . 0.0 112.685 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.08 -52.87 63.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.289 . . . . 0.0 110.988 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.32 -45.25 94.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.03 -38.68 92.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.374 -178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 90.8 m -64.17 -41.74 97.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.544 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.73 -40.28 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 110.037 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.66 -47.16 87.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.5 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.418 ' HA ' HD11 ' A' ' 50' ' ' LEU . 25.8 ttt -65.56 -28.93 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.67 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 54.6 mt-30 -72.67 4.89 3.51 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -77.9 -85.57 0.07 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -172.96 11.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.104 0.561 . . . . 0.0 110.789 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.84 147.54 35.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 111.454 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.93 158.68 34.56 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.586 2.191 . . . . 0.0 111.129 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -62.28 -27.89 69.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.49 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.06 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.56 -37.07 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.727 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 41' ' ' MET . 94.8 mt -61.0 -37.66 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.03 93.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 0.0 110.694 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -67.41 -42.88 82.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.938 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 76' ' ' LEU . 80.8 mt -63.69 -43.88 98.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.453 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.511 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 44.5 t-105 -57.67 -50.58 72.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.795 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.27 -36.53 75.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.612 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -74.72 -28.47 60.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.019 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.405 ' HA ' HD23 ' A' ' 72' ' ' LEU . 25.1 t -88.76 -47.19 8.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -171.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -72.63 123.14 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mm -105.93 -30.53 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -129.58 -20.6 3.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.566 ' CD ' ' HB2' ' A' ' 64' ' ' LYS . 43.8 mt-30 -108.26 -24.28 11.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -164.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.42 11.4 7.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.455 0.645 . . . . 0.0 110.855 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.12 26.14 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.846 -1.169 . . . . 0.0 113.83 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.566 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 50.0 mttp -150.28 146.18 26.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.474 0.637 . . . . 0.0 109.479 176.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.8 mt -120.21 109.12 15.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.652 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.5 p -78.1 -170.71 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.699 0.285 . . . . 0.0 111.539 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 15.3 mm-40 -67.36 -42.66 83.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.158 0.504 . . . . 0.0 110.566 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' HD22 ' A' ' 65' ' ' LEU . 29.0 mt-10 -74.76 -40.45 61.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.214 -173.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.46 -42.2 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.622 HG21 ' HB2' ' A' ' 13' ' ' ARG . 83.8 mt -61.09 -45.28 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.8 tp -59.3 -44.1 92.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.51 -52.96 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.405 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 38.8 mtp -70.84 -20.32 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.674 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -71.05 -35.87 72.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.412 HD12 HG23 ' A' ' 53' ' ' ILE . 96.7 mt -71.96 -32.94 67.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.758 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 73' ' ' ALA . 48.1 mm -59.59 -41.63 85.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.476 174.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -37.39 87.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.41 -48.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.618 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.07 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -26.43 68.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -80.24 -10.11 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.76 6.25 67.75 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.796 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.2 mm100 -82.89 143.73 46.77 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.531 0.205 . . . . 0.0 110.538 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.6 Cg_exo -73.15 153.82 51.79 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.353 . . . . 0.0 112.165 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 53.4 mt -84.83 144.06 41.45 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.002 177.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 7.8 Cg_exo -73.21 153.41 51.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.493 2.129 . . . . 0.0 111.701 177.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 11.7 Cg_exo -71.5 -39.21 3.82 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 122.633 2.222 . . . . 0.0 111.3 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.04 138.13 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.551 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HB2' HD22 ' A' ' 56' ' ' LEU . 18.4 tp -85.83 142.14 36.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 3.7 Cg_exo -77.66 153.7 30.27 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.525 2.15 . . . . 0.0 111.782 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.56 -25.62 81.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.728 2.285 . . . . 0.0 111.976 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 10.2 mp0 -58.57 -34.65 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.208 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.85 -0.06 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 60.6 mt -85.7 122.28 73.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 50.1 Cg_exo -54.53 152.28 27.55 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 38.4 Cg_exo -61.38 -38.63 62.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.158 2.572 . . . . 0.0 112.887 -175.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -85.7 9.07 17.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.929 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HD1' ' HB2' ' A' ' 96' ' ' PRO . 61.9 m-85 -122.93 -31.11 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.1 -2.91 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 111.671 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -134.26 111.24 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 171.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 131.01 45.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 0.0 111.002 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -104.79 110.92 23.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.94 19.52 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.435 0.636 . . . . 0.0 110.101 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.52 102.05 14.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.469 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -129.62 86.58 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -145.46 104.2 3.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.996 0.427 . . . . 0.0 110.929 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -129.29 102.02 6.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.565 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -103.65 132.44 49.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -86.45 125.91 34.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.971 0.415 . . . . 0.0 111.243 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.241 173.561 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo . . . . . 0 N--CA 1.481 0.743 0 N-CA-C 109.87 -0.858 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 125.97 18.38 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.027 1.818 . . . . 0.0 111.267 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 t -79.39 93.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.342 0.591 . . . . 0.0 109.49 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.42 55.08 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.434 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 66.31 102.1 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.674 0.609 . . . . 0.0 110.503 -178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.1 t90 72.32 125.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.139 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.23 39.58 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -169.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.61 122.29 20.62 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -53.67 144.61 52.48 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.946 2.431 . . . . 0.0 112.712 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.2 tp-100 -56.35 -47.33 79.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.587 -174.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -61.24 -37.79 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.771 0.319 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 m -74.6 -44.18 51.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.9 ptm180 -63.89 -36.5 84.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.749 0.309 . . . . 0.0 110.818 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.01 -40.15 75.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 50.8 tttp -58.87 -41.47 87.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.342 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -89.2 -13.45 38.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.917 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -74.94 -25.5 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 31.9 mt-30 -70.27 -14.7 62.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.891 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.423 HD12 ' OG ' ' A' ' 22' ' ' SER . 12.7 tp -157.13 42.12 0.33 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.962 -169.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -38.67 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 59.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -47.18 -46.53 23.77 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -150.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.423 ' OG ' HD12 ' A' ' 19' ' ' LEU . 9.0 p -63.04 -23.13 67.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 118.291 0.496 . . . . 0.0 112.205 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -98.56 2.02 47.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.68 169.52 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.079 0.466 . . . . 0.0 110.287 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.89 ' HG2' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -130.16 -71.13 0.61 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.163 -175.023 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.89 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 15.4 t -179.19 152.05 0.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 28' ' ' SER . 45.5 ttm 66.02 168.07 0.21 Allowed 'General case' 0 CA--C 1.538 0.481 0 O-C-N 123.318 0.386 . . . . 0.0 110.685 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 27' ' ' MET . 24.7 m 76.43 -52.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.895 0.878 . . . . 0.0 110.923 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.13 8.11 58.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.875 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.779 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.9 p-80 -148.81 158.76 44.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -109.29 158.95 17.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.581 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 p -89.78 177.1 6.59 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -48.97 -63.86 3.65 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 113.458 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.52 -42.63 60.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.76 2.307 . . . . 0.0 113.024 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.5 -50.21 68.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.516 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.29 -47.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 92.8 mtt180 -63.64 -30.04 71.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.935 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' ' 41' ' ' MET . 54.6 m -56.07 -48.27 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.103 0.478 . . . . 0.0 110.481 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' HB ' ' HZ ' ' A' ' 70' ' ' PHE . 57.3 mt -74.61 -40.9 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.387 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 73.1 mt -60.39 -37.72 81.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.244 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 38' ' ' THR . 27.4 ptt? -68.36 -18.33 64.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.691 0.281 . . . . 0.0 111.424 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.53 6.53 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.635 0.255 . . . . 0.0 111.351 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.0 p -78.51 -9.17 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.765 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 15.93 8.5 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.709 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -96.69 151.83 38.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 159.85 47.94 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.488 2.126 . . . . 0.0 112.25 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.11 -34.13 73.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.319 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -51.29 64.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.412 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -70.76 -38.02 73.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.334 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.74 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.396 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.96 74.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -66.15 -45.31 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.055 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.458 HD13 HD12 ' A' ' 77' ' ' ILE . 89.6 mt -64.67 -38.92 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.462 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 35.2 t-105 -59.26 -47.87 83.75 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.223 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.8 -32.57 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.817 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.55 -28.42 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.615 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 t -99.72 -18.83 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.3 93.46 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 99' ' ' PHE . 47.6 mm -74.37 -48.99 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.923 -172.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.57 -8.07 55.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.481 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 61.77 79.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.643 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -147.39 -50.34 0.19 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.187 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 134.57 22.34 0.69 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -119.79 133.59 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.516 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.1 mt -111.57 114.67 27.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.693 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.779 HG22 ' HB3' ' A' ' 30' ' ' HIS . 76.3 p -74.55 -178.91 3.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.209 174.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.88 -51.04 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.674 0.273 . . . . 0.0 110.934 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG3' ' HE2' ' A' ' 99' ' ' PHE . 2.1 pm0 -67.27 -31.27 71.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.158 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.01 -43.16 62.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.021 0.439 . . . . 0.0 110.104 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.431 ' HE2' ' HA ' ' A' ' 36' ' ' ALA . 24.9 t80 -60.62 -40.04 90.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.8 mt -60.66 -45.46 97.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.023 0.439 . . . . 0.0 110.673 177.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.82 -49.68 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.329 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.67 75.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.362 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.3 mmm -62.17 -32.61 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.485 ' O ' HG23 ' A' ' 79' ' ' VAL . 40.4 t-80 -70.06 -34.73 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.808 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.94 -35.78 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.458 HD12 HD13 ' A' ' 53' ' ' ILE . 1.5 mp -57.44 -46.19 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 171.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.64 -46.9 83.58 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.757 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.7 t -56.96 -52.08 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.098 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.13 93.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.097 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.68 -29.11 69.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.349 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 m -83.05 5.63 21.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.409 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.51 77.91 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.761 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -90.21 144.53 31.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.37 166.28 29.08 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.436 2.091 . . . . 0.0 112.045 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.73 147.27 35.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.114 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.7 153.5 69.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.004 1.802 . . . . 0.0 112.086 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.33 -39.9 27.59 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.275 1.983 . . . . 0.0 111.094 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 t -140.43 153.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.0 tp -80.54 140.09 51.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 2.3 Cg_endo -84.76 153.44 11.57 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.631 2.221 . . . . 0.0 111.981 177.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.43 -27.33 75.55 Favored 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 122.774 2.316 . . . . 0.0 112.713 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.7 -27.35 68.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.354 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -95.6 -8.47 34.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.388 -178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.5 mt -85.59 115.07 60.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.286 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 17.5 Cg_exo -66.3 154.45 74.16 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.848 2.366 . . . . 0.0 112.291 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 52.1 Cg_exo -56.19 151.36 43.77 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.076 2.518 . . . . 0.0 112.018 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 t 74.93 -37.88 0.36 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.148 0.579 . . . . 0.0 111.142 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.542 ' HB3' HG21 ' A' ' 59' ' ' ILE . 77.7 m-85 -84.62 4.73 30.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 110.672 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.09 -13.55 61.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -81.25 79.26 7.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.135 0.493 . . . . 0.0 110.65 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.97 109.38 27.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.21 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.8 ttt180 -133.4 102.48 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.292 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.5 tp 71.54 138.64 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.919 0.762 . . . . 0.0 111.579 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.06 122.57 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.413 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -83.14 69.79 9.95 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -63.5 141.93 58.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.287 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -134.6 116.47 15.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.488 0.661 . . . . 0.0 111.787 -176.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -113.71 158.93 20.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.133 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -105.65 139.27 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.487 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 55.1 t60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.15 -0.928 . . . . 0.0 110.423 177.845 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.479 0.641 0 N-CA-C 110.124 -0.76 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.24 105.52 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.216 . . . . 0.0 111.555 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -94.21 108.46 20.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.01 93.73 1.77 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.748 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -145.71 116.89 7.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.65 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.07 131.44 54.6 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 39.86 0.08 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -171.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.4 126.95 19.54 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -48.72 133.67 27.21 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.469 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.502 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 68.3 mt-30 -60.21 -39.46 86.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.036 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m -65.55 -39.31 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -74.04 -41.46 61.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 8.2 ptp180 -62.58 -34.18 76.45 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.422 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 mt -71.3 -37.95 71.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 110.988 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.59 -45.41 65.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.186 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -85.42 -9.72 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.135 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.8 ttp180 -74.94 -25.79 59.14 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 170.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -71.87 -14.13 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.369 177.156 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.0 tp -158.86 42.42 0.24 Allowed 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.31 -170.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.5 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 32.0 t80 -37.7 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 119.933 3.309 . . . . 0.0 119.933 59.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.5 t-20 -47.82 -41.58 24.08 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.518 1.674 . . . . 0.0 115.518 -152.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' HD12 ' A' ' 19' ' ' LEU . 42.9 m -59.51 -24.77 63.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.773 0.715 . . . . 0.0 111.945 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.65 -32.98 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.234 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 27' ' ' MET . 20.8 t70 -80.29 102.81 9.75 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.793 0.806 . . . . 0.0 109.741 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -110.84 -49.01 3.07 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.708 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -137.19 27.79 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.12 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.583 ' HB2' ' OD1' ' A' ' 24' ' ' ASP . 66.9 mtt -91.4 -84.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.498 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t 174.65 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.93 21.9 2.05 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.492 -171.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.684 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 -154.77 140.32 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.773 0.32 . . . . 0.0 110.282 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 81.8 mt -92.2 141.32 28.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.14 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.87 165.31 21.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.061 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.74 -64.19 2.22 Favored Glycine 0 CA--C 1.522 0.5 0 O-C-N 123.393 0.433 . . . . 0.0 113.564 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.97 -41.62 73.19 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.555 2.17 . . . . 0.0 112.369 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.07 -54.54 43.78 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.277 0.361 . . . . 0.0 111.272 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -61.11 -44.07 97.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.933 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 37' ' ' ARG . 22.9 mtm180 -63.4 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.453 -178.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 92.2 m -58.25 -52.51 65.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.0 -39.71 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 52.9 mt -58.76 -41.12 85.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.015 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.71 -19.27 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.707 0.289 . . . . 0.0 111.606 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.9 mm-40 -74.66 -2.86 28.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 111.312 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -77.03 -19.64 56.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.452 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.8 m 69.05 14.52 8.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.44 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 97.3 mt -76.2 160.17 78.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 35.8 Cg_endo -65.94 144.64 77.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.959 1.773 . . . . 0.0 111.274 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.08 -28.29 69.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.936 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.79 -47.03 81.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.09 0.471 . . . . 0.0 110.778 175.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 87.9 mt-30 -73.33 -38.32 65.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 178.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.18 -46.59 88.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.941 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.58 94.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.529 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.2 m -60.16 -48.75 80.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.637 HD13 HD12 ' A' ' 77' ' ' ILE . 94.7 mt -60.38 -44.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.932 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -59.57 -50.58 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.34 -34.91 76.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 mt -74.65 -31.7 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.946 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -87.16 -35.25 18.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -74.96 93.42 2.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.422 0.629 . . . . 0.0 109.829 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mm -82.45 -33.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.949 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.89 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.082 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 65.01 54.68 1.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.317 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.91 -10.36 3.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.85 35.07 10.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.666 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -139.17 148.0 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 36' ' ' ALA . 31.3 mt -120.73 112.01 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.593 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.684 HG22 ' HB3' ' A' ' 30' ' ' HIS . 52.6 p -71.03 178.11 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.6 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -60.57 -38.37 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.73 0.3 . . . . 0.0 110.674 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -67.16 -43.0 83.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.44 -35.12 65.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -60.04 -42.65 94.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.286 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.6 mt -59.0 -45.01 92.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.229 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD22 ' HD3' ' A' ' 96' ' ' PRO . 63.5 tp -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.659 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -52.97 62.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.93 -28.73 70.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.447 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.514 ' O ' HG23 ' A' ' 79' ' ' VAL . 75.9 t60 -68.12 -34.72 76.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.515 HD12 HG23 ' A' ' 53' ' ' ILE . 97.1 mt -69.7 -38.71 77.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.046 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.637 HD12 HD13 ' A' ' 53' ' ' ILE . 1.8 mp -59.38 -43.54 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.97 -41.84 88.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 75' ' ' HIS . 91.4 t -63.5 -45.35 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.425 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.65 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.4 mmt -64.37 -17.59 63.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.452 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -89.97 -10.85 43.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.961 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.11 23.27 32.78 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.275 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -94.8 143.73 26.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.692 0.282 . . . . 0.0 111.318 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.1 Cg_exo -74.16 134.84 19.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 111.431 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.72 144.0 41.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.84 154.01 43.0 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.531 2.154 . . . . 0.0 112.502 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.16 -28.37 12.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.398 2.065 . . . . 0.0 111.665 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.38 152.7 36.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.5 tp -101.08 140.33 21.21 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 9.7 Cg_exo -74.21 153.73 46.16 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.789 2.326 . . . . 0.0 112.132 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 31.2 Cg_exo -60.68 -28.17 86.07 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.0 2.467 . . . . 0.0 113.01 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.25 -17.5 64.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 111.525 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -101.64 -1.07 33.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.305 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 92' ' ' PRO . 69.5 mt -78.3 124.8 85.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.691 0.281 . . . . 0.0 110.781 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HD3' HD22 ' A' ' 72' ' ' LEU . 32.1 Cg_endo -63.88 154.43 69.89 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.102 2.535 . . . . 0.0 112.803 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 48.3 Cg_exo -55.51 151.22 38.97 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.046 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.1 m 74.29 -36.54 0.33 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.272 0.629 . . . . 0.0 111.958 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.502 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.8 m-85 -88.41 7.87 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.116 0.484 . . . . 0.0 110.235 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -74.66 -0.28 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.961 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -151.12 84.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.94 0.4 . . . . 0.0 110.244 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.41 88.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.623 0.725 . . . . 0.0 111.625 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.665 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -155.35 125.32 6.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.604 177.411 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -112.1 -67.93 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.58 153.84 40.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 0.0 111.355 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -95.22 -27.29 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.426 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -100.71 106.7 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.468 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -71.9 132.46 44.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.238 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.68 131.45 50.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.288 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.6 -50.86 9.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m170 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.797 173.787 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.479 0.673 0 N-CA-C 110.548 -0.597 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.42 160.23 50.59 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.552 2.168 . . . . 0.0 112.489 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.59 122.3 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.73 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.18 -160.35 0.29 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.61 0.569 . . . . 0.0 110.272 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 66.13 13.0 8.9 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.453 0.644 . . . . 0.0 110.459 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 9.4 t90 66.03 104.47 0.04 OUTLIER 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.629 -174.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.54 67.48 2.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.753 -169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 p -142.86 129.17 10.55 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.771 171.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 50.9 Cg_exo -54.48 141.99 71.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.07 2.513 . . . . 0.0 113.216 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 18.8 pt20 -60.43 -35.49 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.983 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -61.75 -42.25 98.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -66.15 -42.17 89.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 18.3 mtp180 -58.72 -38.41 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.36 -48.02 52.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.408 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.04 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.455 ' HB2' HG12 ' A' ' 71' ' ' ILE . 53.4 m-85 -86.03 -7.08 58.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.803 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.798 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' ' 22' ' ' SER . 9.7 tp -162.71 42.54 0.12 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.006 -166.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -38.99 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 58.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -46.82 -41.08 14.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -150.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.485 ' HB2' HD12 ' A' ' 19' ' ' LEU . 34.0 m -59.21 -23.08 61.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.752 0.706 . . . . 0.0 111.394 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -102.32 12.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -90.84 128.98 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -132.66 -72.87 0.51 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 p -133.36 110.17 9.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -171.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 28' ' ' SER . 25.0 ptt? 55.76 136.27 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 166.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 27' ' ' MET . 73.9 m 76.29 95.17 0.07 Allowed 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.124 -1.398 . . . . 0.0 109.302 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.19 58.39 0.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 114.606 -1.179 . . . . 0.0 113.039 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 66' ' ' THR . 24.0 p80 -146.34 156.98 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.028 0.442 . . . . 0.0 111.405 173.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.21 158.26 16.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.05 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 p -90.03 173.61 8.11 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.322 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.09 -64.46 3.97 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.378 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.17 -43.05 55.93 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.616 2.21 . . . . 0.0 112.594 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.4 -47.42 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.575 0.226 . . . . 0.0 110.954 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.533 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.74 -46.67 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.204 0.526 . . . . 0.0 110.58 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.51 -39.75 94.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.721 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 96.8 m -59.79 -45.25 92.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.954 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.35 -39.26 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.004 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 50' ' ' LEU . 61.1 mt -57.39 -42.81 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.251 176.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.3 mtp -68.41 -18.79 64.53 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.613 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -79.5 1.58 25.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 m -78.91 -85.02 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.416 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 m 175.86 -32.77 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.678 0.791 . . . . 0.0 109.942 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 69.0 mt -66.81 144.99 98.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.848 -173.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.76 177.85 7.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.846 2.364 . . . . 0.0 112.123 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.19 -37.89 72.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.099 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.87 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.333 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 15.1 mm100 -73.46 -38.96 65.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 40' ' ' LEU . 51.6 mt -62.15 -45.17 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.52 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.65 83.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.738 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 t -62.47 -49.28 76.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.14 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.69 -42.55 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.984 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HZ2' ' HA2' ' A' ' 63' ' ' GLY . 37.8 t-105 -57.91 -48.49 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.448 . . . . 0.0 110.295 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -60.65 -33.87 73.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.721 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.78 -37.45 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.522 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -78.97 -46.64 17.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.24 117.55 19.61 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 110.41 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.4 mm -94.42 -26.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.241 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.04 -15.86 18.09 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.225 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 72.29 21.9 3.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.523 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' HD3' ' A' ' 64' ' ' LYS . 22.7 t0 -73.77 -32.79 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.438 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 95.98 1.36 61.45 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.221 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 10.3 mptt -114.63 140.2 49.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.533 HD12 ' HB1' ' A' ' 36' ' ' ALA . 29.7 mt -108.48 122.89 47.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 30' ' ' HIS . 43.6 p -78.64 -169.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.35 -47.2 71.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.101 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.98 -35.25 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.501 ' HB3' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -70.12 -38.98 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.036 0.446 . . . . 0.0 110.156 177.656 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.69 -46.01 90.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 67' ' ' ALA . 78.5 mt -59.56 -41.11 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.338 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.465 HD22 ' HD3' ' A' ' 96' ' ' PRO . 49.6 tp -62.13 -51.7 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.76 -48.18 78.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.204 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.3 mmm -67.38 -29.29 68.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.335 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.9 t60 -68.01 -36.32 79.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.76 -36.08 70.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.834 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 81' ' ' MET . 24.4 mm -56.58 -49.78 76.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.903 173.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.6 -39.99 81.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.49 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' HIS . 97.6 t -64.51 -50.43 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -67.67 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.5 OUTLIER -59.02 -27.22 65.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.33 0.652 . . . . 0.0 111.29 176.189 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 t -87.71 6.57 34.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.4 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.54 25.34 43.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.619 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.421 ' HB2' HG12 ' A' ' 79' ' ' VAL . 30.4 mm-40 -100.8 147.83 34.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.549 0.214 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.83 153.38 33.24 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.759 2.306 . . . . 0.0 112.463 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 80' ' ' ALA . 91.3 mt -95.97 144.26 27.52 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.662 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 74.2 Cg_endo -81.46 154.8 18.57 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.701 2.267 . . . . 0.0 112.496 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.4 Cg_exo -74.52 -32.67 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.723 2.282 . . . . 0.0 111.025 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.36 147.98 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.234 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.1 tp -102.99 141.95 23.54 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.896 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 16.2 Cg_exo -71.1 153.09 62.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.62 2.214 . . . . 0.0 112.209 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 33.8 Cg_exo -59.1 -30.81 94.21 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.247 2.631 . . . . 0.0 113.529 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.3 mp0 -60.98 -28.62 69.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.691 0.281 . . . . 0.0 111.488 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -93.46 -5.0 50.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 92' ' ' PRO . 59.8 mt -90.57 126.65 55.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.676 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.465 ' HD3' HD22 ' A' ' 72' ' ' LEU . 37.0 Cg_exo -61.83 157.86 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.986 2.457 . . . . 0.0 112.056 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.27 175.3 5.97 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.97 2.446 . . . . 0.0 112.688 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 102' ' ' VAL . 13.3 m 70.65 -65.92 0.31 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.812 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -63.91 -10.57 21.75 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.2 -29.36 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.43 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -135.9 26.93 3.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 98' ' ' SER . 19.2 m -82.77 4.54 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 111.95 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' H ' ' HG3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -92.76 137.18 32.59 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.113 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -153.33 69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.681 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.15 84.93 6.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.642 0.734 . . . . 0.0 110.109 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -117.58 19.74 13.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.069 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -114.83 141.94 47.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.6 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -116.26 65.63 0.71 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 165.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -62.85 -40.88 98.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.338 -1.301 . . . . 0.0 112.205 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -108.51 110.82 22.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.0 0.429 . . . . 0.0 111.556 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.6 t60 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.582 172.753 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 N--CA 1.481 0.755 0 N-CA-C 111.076 -0.394 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.453 ' O ' HG12 ' A' ' 3' ' ' VAL . 91.3 Cg_endo -82.07 102.1 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.639 2.226 . . . . 0.0 112.838 -178.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 54.77 -174.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.698 0.799 . . . . 0.0 111.556 176.335 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' H ' HG22 ' A' ' 3' ' ' VAL . . . -82.6 57.9 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.15 0.5 . . . . 0.0 110.861 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -106.69 141.67 37.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -112.73 134.47 54.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.99 126.97 84.86 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.4 Cg_exo -51.15 147.78 19.56 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.442 2.761 . . . . 0.0 113.28 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.48 -45.78 87.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.628 -175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -62.23 -34.15 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -70.79 -41.23 71.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 29.3 mtm180 -59.38 -38.04 79.48 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.85 -47.81 83.36 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 88.0 tttt -63.66 -42.63 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.412 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.446 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.5 m-85 -79.08 -18.21 53.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.81 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.6 tpt180 -75.02 -26.79 59.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 54.0 mt-30 -76.18 -17.38 59.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.638 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 22' ' ' SER . 5.2 tp -156.32 43.49 0.4 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.483 -168.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 6.2 t80 -38.67 -85.37 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 119.945 3.313 . . . . 0.0 119.945 57.764 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -47.13 -44.3 21.48 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -149.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' HD12 ' A' ' 19' ' ' LEU . 35.5 m -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.349 0.522 . . . . 0.0 112.007 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -103.14 9.78 38.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.73 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -110.16 142.96 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' A' ' 25' ' ' LYS . 43.2 pttt -92.27 -8.56 44.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.824 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.41 ' HB ' ' H ' ' A' ' 27' ' ' MET . 1.1 m -98.23 -80.07 0.46 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.41 ' H ' ' HB ' ' A' ' 26' ' ' THR . 26.5 ttt 173.79 -38.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.264 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 15.7 t -167.03 35.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.423 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.0 41.15 2.39 Favored Glycine 0 C--O 1.228 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 114.096 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' HB3' HG22 ' A' ' 66' ' ' THR . 13.1 p-80 54.16 157.74 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.907 1.283 . . . . 0.0 113.844 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 99.0 mt -116.57 154.44 30.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.986 173.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 p -81.7 171.75 14.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.437 0.161 . . . . 0.0 110.8 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.2 -64.71 4.04 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 113.34 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.38 -41.09 80.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.526 2.151 . . . . 0.0 112.381 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.55 -44.19 91.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.718 0.294 . . . . 0.0 110.8 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.05 -48.5 81.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 110.303 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -65.8 -29.14 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.941 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -60.77 -41.45 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.859 0.361 . . . . 0.0 110.506 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.15 -38.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 77' ' ' ILE . 71.7 mt -60.37 -39.58 87.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.053 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.48 -23.21 66.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -72.48 -9.99 59.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 111.097 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.8 -12.61 55.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.301 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t 64.95 25.22 12.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.43 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 77' ' ' ILE . 85.9 mt -79.83 151.41 73.67 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.586 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.02 154.35 52.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.327 2.018 . . . . 0.0 111.758 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.39 -24.98 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.825 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.47 -47.89 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.866 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.27 -39.13 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.423 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.92 -42.74 94.58 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.73 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.15 75.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.842 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -73.81 -47.69 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.08 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 76' ' ' LEU . 81.6 mt -60.97 -48.45 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -59.54 -46.9 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.354 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -60.18 -33.06 71.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.508 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.6 mt -74.46 -39.52 62.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.525 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 p -77.79 -37.93 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.49 111.82 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.65 -52.71 6.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -116.07 -22.79 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.602 ' NE2' HG23 ' A' ' 66' ' ' THR . 43.2 mt-30 -96.85 -22.48 16.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 -166.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 68.11 13.98 9.2 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.2 28.77 0.02 OUTLIER Glycine 0 C--N 1.319 -0.396 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.228 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 59.5 mttp -148.73 161.07 42.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.57 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.4 mt -125.39 117.03 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.712 0.291 . . . . 0.0 110.858 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.602 HG23 ' NE2' ' A' ' 61' ' ' GLN . 23.0 p -74.69 -175.82 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.28 -41.53 85.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 109.794 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.735 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 35.2 mp0 -64.25 -42.92 96.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.771 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.08 -33.26 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 110.365 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 9.3 t80 -66.03 -45.45 81.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.579 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -57.31 -45.02 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.108 0.48 . . . . 0.0 110.499 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 65.3 tp -60.5 -45.42 93.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.458 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.13 -52.32 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.759 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.505 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 36.3 mtp -67.98 -26.91 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.826 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.9 t60 -69.31 -37.47 77.79 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.739 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 89.0 mt -67.19 -37.61 83.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.197 0.523 . . . . 0.0 109.608 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 40' ' ' LEU . 62.6 mt -61.77 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.832 175.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.14 -38.67 73.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.6 t -70.52 -45.46 74.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.834 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -65.77 -34.33 77.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -57.51 -40.41 78.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.267 0.627 . . . . 0.0 110.754 177.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -67.53 -29.88 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.017 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.21 9.11 26.34 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.509 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.407 ' HB2' HG12 ' A' ' 79' ' ' VAL . 15.6 mm100 -76.12 144.99 76.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.25 . . . . 0.0 110.618 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.9 Cg_exo -68.63 139.11 43.46 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.747 2.298 . . . . 0.0 111.94 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 80' ' ' ALA . 85.7 mt -87.1 144.88 37.0 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.876 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 46.1 Cg_endo -71.74 153.35 59.23 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.178 1.919 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.6 Cg_exo -78.94 -36.19 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.796 2.33 . . . . 0.0 110.791 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 26.9 m -114.28 161.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.683 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.497 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 15.5 tp -119.02 138.88 26.61 Favored Pre-proline 0 C--N 1.319 -0.725 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.814 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.2 Cg_exo -83.28 153.92 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.182 2.588 . . . . 0.0 112.369 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 24.3 Cg_exo -65.41 -13.29 39.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.333 2.689 . . . . 0.0 113.448 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.36 -14.57 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -95.11 -25.41 16.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 69.4 mt -70.95 129.71 89.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.735 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 52.6 Cg_exo -55.77 153.6 29.8 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.85 2.366 . . . . 0.0 112.904 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 50.4 Cg_exo -54.85 150.05 39.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.965 2.444 . . . . 0.0 112.034 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 m 75.41 -28.36 0.19 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.457 0.703 . . . . 0.0 111.542 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.701 ' HA ' ' HB ' ' A' ' 102' ' ' VAL . 95.4 m-85 -91.4 -15.45 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.591 0.234 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -56.99 -41.69 78.87 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.32 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -139.66 75.92 1.54 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.731 0.777 . . . . 0.0 109.168 167.104 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.701 ' HB ' ' HA ' ' A' ' 99' ' ' PHE . 8.9 p -85.34 3.52 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.35 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 54.96 96.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.324 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.8 mt -80.46 137.57 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.472 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -151.25 111.9 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.708 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -149.78 109.52 4.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.58 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -103.61 -38.49 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -135.25 89.83 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.416 175.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.14 99.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 52.23 -87.32 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.153 0.981 . . . . 0.0 111.766 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.6 p80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.734 -0.65 . . . . 0.0 109.56 176.362 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.473 0.29 0 N-CA-C 109.863 -0.86 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.04 143.45 92.77 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.582 2.188 . . . . 0.0 111.637 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 m -67.96 128.09 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 121.079 0.466 . . . . 0.0 111.285 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.25 97.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.952 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.9 160.17 43.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 -174.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -124.02 119.01 28.3 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.81 41.65 0.28 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.98 125.08 24.78 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -51.22 148.9 17.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.992 2.461 . . . . 0.0 112.472 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 8.5 tm0? -64.43 -37.84 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.675 -175.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -66.94 -40.43 87.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.004 0.431 . . . . 0.0 110.154 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -67.64 -43.51 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 10.8 ptp180 -63.89 -33.06 74.84 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.656 0.265 . . . . 0.0 110.7 -177.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 mt -71.12 -40.19 71.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.268 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.32 -47.46 83.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.42 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HD2' HG23 ' A' ' 71' ' ' ILE . 7.3 m-85 -80.61 -30.0 36.82 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.737 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HB2' HD11 ' A' ' 71' ' ' ILE . 49.3 ttp85 -67.19 -25.32 66.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.24 -12.96 60.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.597 177.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 22' ' ' SER . 10.3 tp -153.21 38.36 0.5 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.531 -171.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 8.6 t80 -36.39 -85.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 61.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -49.01 -38.28 22.97 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -152.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.54 ' HB3' HD12 ' A' ' 19' ' ' LEU . 36.3 t -65.4 -27.76 68.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.608 0.64 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -91.64 -17.41 25.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.354 . . . . 0.0 110.663 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.68 148.43 25.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.704 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -114.83 18.55 16.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -140.76 -70.81 0.37 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.182 0.515 . . . . 0.0 110.926 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 46.8 ttm 178.61 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.622 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.559 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 26.9 t -164.0 47.32 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.5 14.28 41.86 Favored Glycine 0 C--O 1.228 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.382 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.6 p-80 59.32 153.77 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.246 1.419 . . . . 0.0 113.487 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.12 141.78 44.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.657 172.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -84.67 177.8 7.91 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.201 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.667 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.46 -64.66 3.69 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.218 -177.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -48.24 23.02 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.877 2.384 . . . . 0.0 112.728 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.72 -55.15 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.494 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.404 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.0 ttm180 -70.78 -29.75 66.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.483 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 52.7 m -62.59 -42.74 99.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.387 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.9 mt -61.68 -42.37 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.403 0.621 . . . . 0.0 109.579 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.9 mt -59.26 -44.71 92.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.247 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -67.66 -34.0 76.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.12 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 38' ' ' THR . 47.0 mt-30 -74.5 0.71 13.85 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -77.51 -80.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -171.38 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.803 0.335 . . . . 0.0 110.819 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 50.6 mt -61.42 144.79 91.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.322 -170.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 18.8 Cg_exo -65.94 161.63 38.72 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.819 3.012 . . . . 0.0 112.706 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? -58.75 -27.8 65.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.514 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.95 -51.31 64.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.454 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -65.36 -37.92 88.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.972 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 86.7 mt -59.77 -44.94 93.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.808 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.12 91.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.467 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.6 m -58.74 -49.34 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.149 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 77' ' ' ILE . 90.3 mt -66.06 -41.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.189 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.667 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 50.9 t-105 -61.13 -48.14 82.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.907 0.384 . . . . 0.0 110.349 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -59.13 -37.23 76.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.31 -29.13 61.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.787 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 73' ' ' ALA . 23.0 t -82.9 -48.78 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.051 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -79.57 104.53 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.181 0.515 . . . . 0.0 109.747 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.6 mm -71.0 -23.26 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.295 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 3.81 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 43.45 40.55 2.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.061 0.944 . . . . 0.0 111.339 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.36 -41.05 13.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.127 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.84 32.76 3.0 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -172.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 mtmp? -138.16 139.77 39.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.32 . . . . 0.0 110.616 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.3 mt -124.71 105.95 9.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.613 172.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 30' ' ' HIS . 53.3 p -79.56 -171.75 2.94 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.575 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -57.63 -52.48 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 111.226 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.655 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.89 -40.35 60.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.226 0.536 . . . . 0.0 110.085 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.539 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 28.5 t80 -67.35 -37.46 83.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.802 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 67' ' ' ALA . 82.3 mt -55.74 -44.17 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.099 0.476 . . . . 0.0 110.346 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.73 -47.09 87.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.328 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.96 -53.97 52.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.157 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.539 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 29.6 mtp -68.01 -24.78 65.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.692 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' VAL . 62.1 t60 -73.09 -34.41 66.18 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.81 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HB2' HG23 ' A' ' 53' ' ' ILE . 97.1 mt -65.7 -35.54 81.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 173.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 74' ' ' MET . 30.6 mm -56.84 -49.81 77.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 173.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.09 -39.58 78.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.3 t -63.37 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.659 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.5 -29.98 69.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 77' ' ' ILE . 19.3 mmt -60.33 -30.36 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 174.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -80.56 0.19 34.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.37 67.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -93.18 144.48 28.41 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 10.4 Cg_exo -71.97 134.73 24.02 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.939 2.426 . . . . 0.0 111.725 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.14 146.15 66.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.689 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.32 153.15 12.3 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.288 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.09 -7.47 8.1 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.567 2.178 . . . . 0.0 111.555 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.5 t -132.79 151.25 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.9 tp -104.28 140.15 20.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 11.1 Cg_exo -74.42 154.23 45.38 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.535 2.157 . . . . 0.0 111.692 174.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 95' ' ' ILE . 22.9 Cg_exo -64.62 -26.49 61.43 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.721 2.281 . . . . 0.0 112.126 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -66.67 -14.72 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.576 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -106.9 8.3 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.318 -0.238 . . . . 0.0 111.125 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 92' ' ' PRO . 66.3 mt -96.29 115.85 65.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 36.1 Cg_endo -65.34 154.45 73.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.654 2.236 . . . . 0.0 112.673 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 35.3 Cg_exo -60.38 159.83 25.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.796 2.331 . . . . 0.0 112.051 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 m 72.41 -50.19 0.7 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.69 0.619 . . . . 0.0 111.269 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -72.08 -5.87 38.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.311 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.09 -23.41 66.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.103 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 101' ' ' ARG . 18.9 ptt85 -146.91 102.21 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -97.87 14.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 0.0 110.36 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -79.46 76.68 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.399 0.618 . . . . 0.0 110.389 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -126.35 26.67 6.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -81.45 64.69 6.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.087 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -135.82 95.24 3.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.52 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -115.12 98.71 6.95 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.209 0.528 . . . . 0.0 110.252 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -122.04 87.5 2.76 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -143.81 89.33 2.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.386 0.612 . . . . 0.0 111.458 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -111.66 -10.62 14.08 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.304 176.807 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.047 -0.79 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.59 120.6 8.43 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.584 2.189 . . . . 0.0 111.809 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.49 106.4 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.177 0.513 . . . . 0.0 110.71 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.91 114.39 20.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.946 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -81.72 97.55 7.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.256 0.551 . . . . 0.0 110.521 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.401 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 10.3 t90 -147.87 118.05 7.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.379 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.785 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.03 117.0 12.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.877 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 55.0 Cg_exo -38.01 130.91 0.9 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.704 2.936 . . . . 0.0 113.348 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 1.9 tt0 -55.93 -29.93 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.126 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -56.84 -41.53 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.9 m -70.32 -43.49 70.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 14.8 ptt180 -77.17 -32.03 55.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.34 -37.55 87.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.159 0.504 . . . . 0.0 110.663 174.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 39.1 tttp -66.11 -44.14 85.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 63.5 t80 -71.42 -32.12 68.03 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.006 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 43.4 ttp180 -57.53 -24.39 55.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.137 177.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-30 -82.84 -13.27 56.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.585 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -157.4 42.7 0.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.535 0.734 . . . . 0.0 110.304 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.5 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 120.0 3.333 . . . . 0.0 120.0 57.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.48 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.7 t-20 -46.88 -46.13 20.91 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -151.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.2 m -62.19 -25.43 67.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.595 0.634 . . . . 0.0 112.137 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -96.88 -44.21 7.14 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.616 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.1 125.05 25.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.379 -174.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -143.2 25.6 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.589 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 t -162.45 -165.99 1.28 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 tpt -90.15 73.16 7.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.24 0.543 . . . . 0.0 109.553 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -79.79 -61.04 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.069 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.86 -29.53 3.02 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.156 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.673 ' HB3' HG22 ' A' ' 66' ' ' THR . 19.9 p-80 -156.04 151.06 26.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 70' ' ' PHE . 83.0 mt -100.67 165.86 11.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.9 p -87.58 165.68 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -49.85 -64.0 3.8 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.375 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -52.07 -45.73 37.04 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.602 2.201 . . . . 0.0 112.577 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.3 -53.19 61.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.621 0.248 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -57.64 -49.18 77.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.657 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 41' ' ' MET . 16.6 mtp180 -64.58 -34.35 78.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.807 -176.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 85.7 m -61.56 -43.02 99.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.491 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.68 -38.24 65.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.094 0.473 . . . . 0.0 110.094 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 74.6 mt -58.27 -41.94 85.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.682 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 92.5 mtp -69.78 -18.42 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 38' ' ' THR . 78.4 mm-40 -73.81 -1.61 20.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 p -79.74 -17.52 53.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.381 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 69.54 15.84 8.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.992 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.62 154.14 78.61 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.515 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.652 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 31.2 Cg_endo -65.09 145.49 84.95 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.144 1.896 . . . . 0.0 112.093 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -57.96 -28.7 64.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.566 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.63 88.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 38.6 mt-30 -73.25 -36.53 66.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.037 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.79 -43.53 98.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.85 89.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -66.62 -42.54 86.63 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 49' ' ' GLN . 82.8 mt -60.02 -47.36 92.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 56.1 t-105 -59.46 -49.89 76.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -61.32 -31.4 71.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.288 -177.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -74.73 -38.59 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.466 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' 59' ' ' ILE . 71.0 p -77.85 -41.36 37.15 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -85.13 100.95 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' A' ' 99' ' ' PHE . 3.1 mp -73.16 -45.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.26 -26.71 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.335 -174.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 64.64 73.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.575 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -122.06 -24.34 5.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.151 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.75 32.33 2.92 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.29 -174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -142.28 170.61 15.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.5 mt -137.93 115.63 11.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.469 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.8 p -72.75 175.81 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.75 -45.0 93.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.135 0.493 . . . . 0.0 110.638 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 96' ' ' PRO . 16.0 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.328 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' HG2' HD13 ' A' ' 59' ' ' ILE . 49.2 mt-10 -75.46 -41.91 54.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.159 0.504 . . . . 0.0 111.432 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -65.8 -36.14 82.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 -177.338 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 67' ' ' ALA . 70.0 mt -55.71 -46.58 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.062 0.458 . . . . 0.0 109.931 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.9 tp -59.17 -43.75 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -50.96 71.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.342 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mtp -62.25 -33.93 75.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.527 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 81.0 t60 -69.17 -38.93 78.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.542 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.0 mt -64.66 -36.22 83.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.323 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.33 -49.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.823 176.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.0 -37.01 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 75' ' ' HIS . 84.7 t -67.31 -48.24 78.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 84' ' ' GLN . . . -62.08 -41.87 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 0.0 110.739 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -21.71 66.34 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.078 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 t -79.42 -4.35 50.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.787 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.46 0.51 55.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.074 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 15.8 mm100 -91.83 144.41 29.31 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-O 120.623 0.249 . . . . 0.0 110.535 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.38 174.29 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.578 2.185 . . . . 0.0 111.598 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 91.3 mt -96.58 143.08 25.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 6.5 Cg_exo -73.97 154.18 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.698 2.266 . . . . 0.0 112.169 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.21 -24.29 20.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.687 2.258 . . . . 0.0 111.696 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.13 147.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.402 177.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 19.0 tp -93.96 141.57 23.87 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.483 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.3 Cg_exo -76.35 152.86 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.409 2.072 . . . . 0.0 111.702 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.501 ' HA ' HD12 ' A' ' 95' ' ' ILE . 39.5 Cg_exo -58.21 -35.1 99.04 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.942 2.428 . . . . 0.0 112.497 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.43 -34.66 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.037 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -96.28 -2.45 45.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.555 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 92' ' ' PRO . 73.7 mt -79.45 124.03 84.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 27.5 Cg_endo -62.41 155.35 58.14 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.961 2.441 . . . . 0.0 112.369 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 22.2 Cg_exo -64.74 176.21 3.08 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.665 2.243 . . . . 0.0 111.892 177.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m 69.89 -59.28 0.51 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.207 0.603 . . . . 0.0 111.618 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.0 m-85 -84.71 17.59 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.65 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -79.15 -3.03 43.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.007 0.432 . . . . 0.0 111.007 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.7 tpt85 -124.58 93.67 3.97 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.86 120.42 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.569 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 103' ' ' ARG . 37.1 ttp180 71.95 105.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.259 0.974 . . . . 0.0 112.099 172.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.41 -34.7 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.141 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.594 ' OE2' ' HB2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -146.29 153.6 40.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -106.86 22.51 15.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.446 0.641 . . . . 0.0 109.548 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.594 ' HB2' ' OE2' ' A' ' 105' ' ' GLU . 23.0 t-80 -80.35 102.99 9.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.787 -173.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -149.66 116.41 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -61.22 124.33 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.236 0.541 . . . . 0.0 110.909 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -70.21 146.77 50.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.422 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 76.7 m80 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.583 177.037 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.476 0.498 0 N-CA-C 110.424 -0.645 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.99 119.86 6.3 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.212 1.941 . . . . 0.0 112.04 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -96.06 126.46 48.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.003 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.95 165.82 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.683 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 64.95 -163.49 0.26 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.923 0.764 . . . . 0.0 109.37 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -73.66 122.94 23.11 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.13 49.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG21 HG22 ' A' ' 71' ' ' ILE . 7.2 p -133.73 130.85 20.89 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 172.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.35 142.27 22.83 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.559 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 48.0 mt-30 -65.06 -35.8 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -60.01 -40.31 88.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 176.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -68.99 -45.33 70.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.768 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptp180 -67.77 -30.41 69.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.698 0.285 . . . . 0.0 110.804 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.94 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.681 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.561 ' HB2' HG12 ' A' ' 71' ' ' ILE . 59.3 m-85 -87.62 -2.88 58.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.918 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -76.53 -33.18 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 162.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 26.3 mt-30 -79.54 -12.64 59.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.92 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 22' ' ' SER . 15.4 tp -155.71 44.28 0.45 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.799 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 2.3 m-85 -37.92 -83.93 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 55.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 64.6 t30 -46.64 -37.22 7.91 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -151.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' HD12 ' A' ' 19' ' ' LEU . 32.3 t -60.52 -24.05 65.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.438 0.563 . . . . 0.0 111.195 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -110.75 16.94 21.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 3.0 t70 -129.97 139.52 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.1 0.476 . . . . 0.0 111.558 -175.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -97.99 34.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p 53.7 34.49 19.03 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.794 0.837 . . . . 0.0 111.436 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.4 ttp -163.2 21.33 0.08 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.21 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -88.92 -47.88 7.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.14 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.88 -40.47 1.64 Allowed Glycine 0 C--N 1.333 0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.275 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.537 ' HB3' HG22 ' A' ' 66' ' ' THR . 36.7 p-80 -147.55 152.8 38.58 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 83.8 mt -95.14 157.18 16.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 p -90.44 169.6 10.92 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.618 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.55 -64.84 2.91 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.946 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -49.69 -45.04 33.41 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.705 2.27 . . . . 0.0 112.721 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.71 -54.98 40.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.865 0.364 . . . . 0.0 111.066 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.09 -47.55 84.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.15 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.11 -33.49 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.965 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.8 m -65.58 -41.67 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.57 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.79 -36.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.106 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 65.6 mt -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.683 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.15 -17.32 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.751 -175.287 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 38' ' ' THR . 93.0 mt-30 -63.02 -16.15 58.82 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.84 0.352 . . . . 0.0 111.484 -178.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.3 t -75.66 -6.36 50.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.921 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m 66.45 15.52 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.885 0.474 . . . . 0.0 111.668 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.72 151.21 67.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.04 135.87 44.5 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.902 2.402 . . . . 0.0 111.847 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.1 86.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.068 0.461 . . . . 0.0 109.93 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.46 -32.57 66.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.353 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 47' ' ' GLN . 91.6 mt -61.59 -44.01 97.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.38 177.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 67.1 m -60.62 -49.14 78.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.23 -42.83 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -57.46 -50.66 72.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.058 0.456 . . . . 0.0 109.932 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.35 -31.97 73.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.285 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 52' ' ' SER . 72.3 mt -70.09 -36.09 74.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.473 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -94.29 -20.76 19.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.564 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.3 123.89 20.78 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 111.445 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.62 -58.99 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.221 0.534 . . . . 0.0 109.575 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -165.68 39.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' OE1' ' HE2' ' A' ' 64' ' ' LYS . 15.5 mm-40 -86.93 -51.23 6.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.062 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 75.58 -35.42 0.27 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.292 0.995 . . . . 0.0 110.906 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.05 34.84 0.66 Allowed Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.284 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HE2' ' OE1' ' A' ' 61' ' ' GLN . 35.3 mtmm -146.47 161.22 40.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.544 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.3 mt -152.03 115.88 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.432 0.457 . . . . 0.0 109.813 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 30' ' ' HIS . 72.7 p -76.54 175.93 8.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -55.11 -51.59 65.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 111.584 -175.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.82 -29.63 68.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.708 -176.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.47 ' HB3' HD22 ' A' ' 65' ' ' LEU . 47.2 mt-10 -74.42 -43.85 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.232 0.539 . . . . 0.0 109.932 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.36 -41.97 85.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 16' ' ' TYR . 75.5 mt -59.9 -44.24 93.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.86 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 96' ' ' PRO . 57.6 tp -62.24 -49.12 76.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.1 85.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.534 ' O ' ' HB ' ' A' ' 77' ' ' ILE . 93.4 mmm -69.85 -28.34 65.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.327 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -71.51 -34.08 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.984 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.28 -29.49 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 74' ' ' MET . 31.2 mm -56.57 -48.61 80.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.304 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.8 -44.42 73.76 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.604 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.08 -51.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.753 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.21 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.29 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.4 ttt -63.99 -21.01 66.31 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.2 t -90.36 3.36 53.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.305 0.574 . . . . 0.0 110.267 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 19.49 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 16.3 mm100 -95.82 144.65 28.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.612 0.244 . . . . 0.0 110.99 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 5.1 Cg_exo -74.37 146.53 35.58 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.921 2.414 . . . . 0.0 111.862 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 84.7 mt -85.34 143.9 39.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.153 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.0 Cg_exo -70.28 153.08 66.86 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.535 2.157 . . . . 0.0 111.904 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.02 -22.96 16.56 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.579 2.186 . . . . 0.0 111.801 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.63 150.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.467 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 21.0 tp -99.91 141.25 22.42 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 15.9 Cg_exo -71.25 153.33 61.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.535 2.157 . . . . 0.0 111.888 174.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 23.7 Cg_exo -64.52 -29.74 61.57 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.929 2.419 . . . . 0.0 112.779 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.94 -13.8 61.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -91.24 -16.24 27.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.954 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.75 123.18 87.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.177 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.531 ' HD3' HD22 ' A' ' 72' ' ' LEU . 22.0 Cg_endo -61.57 154.42 59.86 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.762 2.308 . . . . 0.0 112.62 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.25 156.54 24.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.106 2.538 . . . . 0.0 112.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m 69.61 -53.78 0.6 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.375 0.67 . . . . 0.0 111.848 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -65.03 -9.51 22.51 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.691 0.397 . . . . 0.0 111.908 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -67.47 -22.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.195 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -146.4 -28.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -85.05 85.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.18 0.515 . . . . 0.0 110.663 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -133.31 6.01 3.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.017 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.0 tt -101.67 116.25 32.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.872 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -128.86 134.5 48.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.586 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -122.82 102.29 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -108.23 134.84 50.51 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -169.49 145.05 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.68 0.276 . . . . 0.0 110.454 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -150.54 154.98 38.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.14 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -81.06 132.74 35.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.574 173.383 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.476 0.472 0 N-CA-C 110.438 -0.639 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.45 99.35 0.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.569 2.179 . . . . 0.0 111.627 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.26 121.43 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.39 147.23 24.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.122 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -92.94 15.06 15.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.346 0.593 . . . . 0.0 110.306 -179.219 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.416 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 6.4 t90 -109.03 120.69 43.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -174.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.4 69.33 9.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.188 0.518 . . . . 0.0 112.016 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.33 129.14 14.28 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.01 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.83 136.11 22.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.327 2.685 . . . . 0.0 112.839 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.7 tt0 -59.68 -42.18 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.153 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -57.87 -34.14 69.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -71.69 -39.11 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.018 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -76.97 -32.29 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 0.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 73.6 mt -60.32 -42.61 95.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.295 171.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 45.4 tttp -58.4 -39.48 79.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.765 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.516 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 81.2 t80 -77.98 -32.79 51.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 120.216 -0.594 . . . . 0.0 112.139 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.7 ttp180 -58.0 -24.3 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.073 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 5.2 mt-30 -74.25 -14.13 60.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.199 -1.364 . . . . 0.0 112.4 176.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 tp -161.67 43.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.644 0.778 . . . . 0.0 109.912 -167.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -39.59 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 120.039 3.348 . . . . 0.0 120.039 57.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 62.9 t30 -46.09 -43.57 14.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -151.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 m -67.48 -23.77 65.52 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -112.69 -5.76 13.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.91 127.15 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.248 0.547 . . . . 0.0 111.106 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.98 75.54 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.2 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.4 p 51.53 43.0 29.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.507 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.409 ' SD ' HD23 ' A' ' 31' ' ' LEU . 14.9 ttt -91.17 154.62 19.2 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -78.8 51.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.41 -6.29 38.57 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 114.296 0.479 . . . . 0.0 114.296 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.657 ' HB3' HG22 ' A' ' 66' ' ' THR . 27.7 p-80 -148.71 150.01 32.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.214 0.507 . . . . 0.0 111.495 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD23 ' SD ' ' A' ' 27' ' ' MET . 95.4 mt -92.16 165.18 13.27 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.01 175.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.9 p -85.91 166.06 16.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.504 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.27 -63.75 3.81 Favored Glycine 0 N--CA 1.451 -0.332 0 O-C-N 123.639 0.587 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.13 -46.58 32.92 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.922 2.415 . . . . 0.0 113.061 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -61.86 -43.1 99.53 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.674 0.215 . . . . 0.0 111.362 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.72 -48.13 80.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.317 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -64.57 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.4 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 80.2 m -59.28 -53.35 59.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.543 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.51 -36.55 77.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.413 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.9 mt -60.75 -45.1 95.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.516 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 86.6 mmm -67.62 -22.94 65.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 38' ' ' THR . 72.9 mm-40 -67.7 -18.6 64.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.025 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -69.43 -21.89 63.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.489 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.8 m 68.56 24.42 6.97 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.565 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 81' ' ' MET . 77.5 mt -81.02 164.11 52.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.818 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 12.4 Cg_endo -57.97 128.78 30.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.736 2.29 . . . . 0.0 112.497 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -34.23 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.691 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.68 86.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.003 0.43 . . . . 0.0 110.739 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -43.25 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.135 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.88 -39.46 81.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.398 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.02 94.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 t -70.2 -45.69 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.008 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.75 -42.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -59.46 -50.95 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.653 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.37 -38.02 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.554 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.54 -35.25 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.42 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -71.72 -48.04 49.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.024 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -73.54 111.15 8.41 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.0 -37.57 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.405 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 18.0 t70 -79.61 -28.68 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.092 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 78.7 mt-30 70.59 37.97 1.37 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.782 0.801 . . . . 0.0 109.366 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.07 -31.59 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.446 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.73 26.95 5.12 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.141 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -140.91 -178.29 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.5 mt -144.42 116.95 8.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.989 0.181 . . . . 0.0 110.663 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.657 HG22 ' HB3' ' A' ' 30' ' ' HIS . 67.4 p -72.25 174.19 7.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.75 -53.59 53.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 45.8 mt-10 -67.7 -29.01 68.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.039 -174.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.5 -42.99 61.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.538 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -63.01 -33.45 75.46 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.535 176.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 67' ' ' ALA . 63.2 mt -57.44 -47.82 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.059 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 66.7 tp -59.3 -43.92 92.57 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.182 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.05 -48.88 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 3.3 mmt -58.05 -39.31 78.13 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.907 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' VAL . 68.8 t60 -65.31 -41.48 94.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 87.3 mt -69.3 -38.19 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 73' ' ' ALA . 32.0 mm -58.45 -46.52 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.94 -42.84 99.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.913 0.387 . . . . 0.0 110.597 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 75' ' ' HIS . 75.7 t -61.86 -48.97 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.855 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.1 98.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.558 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.42 -36.09 77.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 177.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -72.74 -18.57 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.3 27.86 10.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.256 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.467 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 79.4 mt-30 -103.34 144.39 28.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.6 Cg_exo -69.43 149.88 69.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.993 2.462 . . . . 0.0 113.024 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -102.94 146.92 33.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.846 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.86 154.41 30.0 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.443 2.096 . . . . 0.0 112.319 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.41 -27.41 16.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.412 2.074 . . . . 0.0 111.765 176.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.22 147.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.566 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 16.8 tp -92.38 141.56 24.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.1 Cg_exo -77.11 153.43 32.09 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.741 2.294 . . . . 0.0 111.784 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 31.5 Cg_exo -60.15 -33.89 94.69 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.886 2.391 . . . . 0.0 112.483 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.85 -28.0 69.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.631 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -90.2 -4.39 57.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.444 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 48.6 mt -85.2 126.44 67.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 39.9 Cg_exo -57.22 153.19 41.1 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.931 2.421 . . . . 0.0 112.913 -176.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 35.8 Cg_exo -60.21 157.41 35.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.823 2.349 . . . . 0.0 111.91 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m 71.74 -54.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.163 0.585 . . . . 0.0 111.269 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -71.75 -26.21 62.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.8 -11.1 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.258 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -92.05 72.21 5.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.86 109.18 17.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -144.08 -59.48 0.39 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.588 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 123.87 37.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.252 -176.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.83 88.15 4.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.056 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 60.8 m80 61.16 -177.2 0.11 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.669 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -154.39 157.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.418 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -127.44 111.75 14.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.948 0.404 . . . . 0.0 110.672 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -158.64 137.84 11.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.538 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -98.61 157.65 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.889 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.136 178.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 8.8 Cg_endo . . . . . 0 N--CA 1.482 0.824 0 N-CA-C 110.667 -0.551 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 15.4 Cg_exo -69.34 109.29 2.19 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.819 2.346 . . . . 0.0 111.848 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.29 114.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.401 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.81 26.19 11.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.896 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.7 87.71 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.83 139.02 39.27 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.92 13.88 0.34 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.0 p -117.01 126.76 27.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 53.4 Cg_exo -53.98 143.46 61.13 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.106 2.537 . . . . 0.0 112.961 -176.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.9 pt20 -66.51 -29.76 69.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.534 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -64.07 -43.15 96.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.2 . . . . 0.0 110.862 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 p -72.03 -32.77 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.819 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 78.9 mtp180 -61.0 -45.54 94.42 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.258 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 82.1 mt -58.63 -40.85 84.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.394 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.39 -49.21 74.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.588 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HB2' HG12 ' A' ' 71' ' ' ILE . 20.6 m-85 -79.0 -20.38 49.23 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.522 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -66.21 -29.31 69.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 170.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.59 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.5 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.316 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.6 tp -156.76 40.53 0.34 Allowed 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.15 -172.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -37.01 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 59.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.59 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 27.6 t-20 -47.01 -45.92 21.51 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -153.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.494 ' HB2' HD12 ' A' ' 19' ' ' LEU . 25.4 m -59.89 -24.79 64.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 118.196 0.453 . . . . 0.0 111.758 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -93.19 -15.64 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.607 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 39.0 t70 -89.9 -3.16 58.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.382 0.611 . . . . 0.0 110.943 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -56.11 -35.71 67.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.417 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 26' ' ' THR . 10.9 m -118.54 9.18 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.51 0.672 . . . . 0.0 110.287 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.702 ' HG3' ' H ' ' A' ' 28' ' ' SER . 6.9 tpt -96.8 -166.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 -176.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.702 ' H ' ' HG3' ' A' ' 27' ' ' MET . 13.0 t -132.04 45.2 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 -173.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.76 87.5 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.502 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.606 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 -168.3 148.86 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.737 0.303 . . . . 0.0 110.334 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD23 ' HG2' ' A' ' 27' ' ' MET . 89.4 mt -99.33 163.43 12.54 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.338 175.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -98.68 169.57 9.39 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.709 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -50.83 -65.83 2.81 Favored Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.63 0.581 . . . . 0.0 113.593 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 -39.96 88.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.912 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.49 -42.67 74.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.953 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.626 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.8 -45.41 92.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.009 0.433 . . . . 0.0 110.483 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -61.59 -29.95 70.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.914 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.9 m -61.5 -42.87 99.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.566 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.34 -40.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 86.5 mt -58.48 -36.43 73.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.169 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ttt -64.65 -21.87 66.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.594 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -76.03 3.44 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.748 0.309 . . . . 0.0 111.572 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 p -93.76 -11.59 31.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.289 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 m 63.35 23.84 13.94 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.436 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.9 149.8 60.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.12 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.93 146.92 96.96 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.914 2.409 . . . . 0.0 111.829 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -58.84 -33.95 71.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.938 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.88 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.081 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.54 -36.78 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.58 -44.62 96.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.015 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.69 87.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.394 . . . . 0.0 110.514 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 m -62.76 -49.56 74.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.797 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.536 HD13 HD12 ' A' ' 77' ' ' ILE . 88.3 mt -61.87 -42.04 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 178.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.428 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 51.9 t-105 -55.93 -54.08 49.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -66.47 -30.35 70.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.328 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -73.12 -28.37 62.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -93.69 -54.49 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.219 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 62' ' ' ASP . 8.5 t70 -63.21 117.48 6.63 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.45 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.72 -67.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.258 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.73 17.82 2.16 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 111.69 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.561 HE22 ' HG3' ' A' ' 69' ' ' GLU . 41.2 mt-30 -95.88 -42.53 8.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.693 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 19.8 t70 57.02 23.47 8.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.641 177.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.96 22.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.971 -1.109 . . . . 0.0 114.072 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -149.3 133.3 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.394 0.597 . . . . 0.0 109.771 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.626 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.7 mt -118.7 115.3 24.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.749 0.309 . . . . 0.0 110.227 175.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.3 p -88.32 -169.11 2.43 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.89 90.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.72 0.295 . . . . 0.0 110.514 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -65.42 -43.88 89.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.325 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG3' HE22 ' A' ' 61' ' ' GLN . 5.1 mm-40 -73.0 -43.04 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.616 -173.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 74' ' ' MET . 58.1 t80 -60.07 -45.01 94.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.966 -176.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 16' ' ' TYR . 74.3 mt -62.32 -40.48 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.745 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.6 -53.14 52.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.505 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.38 70.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.764 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 95.5 mmm -66.16 -27.95 68.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -175.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -71.07 -34.33 71.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 53' ' ' ILE . 95.5 mt -69.12 -35.49 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.801 175.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.536 HD12 HD13 ' A' ' 53' ' ' ILE . 1.4 mp -57.68 -42.69 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.462 175.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.8 -48.47 81.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.686 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.444 HG12 ' HB2' ' A' ' 84' ' ' GLN . 52.5 t -62.71 -46.4 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.46 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -64.63 -20.38 66.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.069 0.461 . . . . 0.0 111.055 177.771 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.416 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 8.8 t -87.28 5.75 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.25 26.71 69.77 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.335 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HB2' HG12 ' A' ' 79' ' ' VAL . 28.1 mm-40 -89.87 144.05 31.01 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.585 0.231 . . . . 0.0 110.553 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.4 Cg_exo -73.22 138.41 27.67 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.961 2.441 . . . . 0.0 111.842 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 94.8 mt -91.76 143.94 28.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.291 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.4 Cg_exo -75.44 154.31 40.35 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.01 2.474 . . . . 0.0 112.084 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.41 -37.14 74.07 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.4 m -136.25 142.36 38.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.898 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -82.74 142.37 45.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 16.5 Cg_exo -69.66 152.92 69.93 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.18 1.92 . . . . 0.0 111.842 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 24.7 Cg_exo -64.37 -19.13 65.19 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.08 2.52 . . . . 0.0 112.924 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.93 -24.74 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -94.48 -14.54 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 124.95 80.05 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 152.8 40.41 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.584 2.189 . . . . 0.0 112.686 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.05 143.73 99.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.874 2.382 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.8 m 73.51 -22.56 0.23 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.268 0.627 . . . . 0.0 111.994 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.25 5.73 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 110.051 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -77.49 6.18 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.685 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -132.67 117.11 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 32.7 t -122.62 95.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.042 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -124.28 84.59 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.522 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -174.79 150.53 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.246 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -92.18 -46.13 7.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.596 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.6 t60 59.62 28.82 18.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.806 0.813 . . . . 0.0 109.714 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -119.74 32.83 5.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.646 -172.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -63.7 -15.38 58.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.411 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -101.05 112.04 24.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -60.66 111.77 1.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 112.329 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 . . . . . 0 C--O 1.243 0.723 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.304 172.024 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.478 0.597 0 N-CA-C 110.764 -0.514 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -80.96 -178.31 4.31 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.752 2.301 . . . . 0.0 111.804 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.85 103.6 12.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 69.76 163.97 0.25 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.982 0.801 . . . . 0.0 110.453 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.17 68.24 8.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.25 0.548 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -161.92 119.96 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.826 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.88 49.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -171.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG13 ' HD3' ' A' ' 13' ' ' ARG . 7.6 p -140.13 130.79 14.04 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.724 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.552 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.1 Cg_endo -50.04 129.41 24.88 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.477 2.785 . . . . 0.0 113.197 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.6 -39.94 74.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.521 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -55.48 -45.43 76.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -70.96 -34.04 71.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.642 ' HD3' HG13 ' A' ' 8' ' ' VAL . 20.1 mtm180 -62.6 -47.02 85.64 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -51.21 63.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -59.41 -41.78 90.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.19 -175.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.591 ' HD1' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -98.45 -2.0 40.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HG3' ' HB1' ' A' ' 67' ' ' ALA . 22.6 ttt180 -77.82 -27.74 50.09 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 162.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.56 -12.43 60.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 113.91 -1.495 . . . . 0.0 111.962 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 22' ' ' SER . 14.1 tp -158.67 44.68 0.28 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.686 -174.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -37.21 -80.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 58.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -47.26 -47.82 24.8 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -154.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.547 ' HB3' HD12 ' A' ' 19' ' ' LEU . 38.8 t -61.75 -23.23 66.03 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.035 -0.416 . . . . 0.0 111.995 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -92.73 1.65 57.16 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.69 142.42 44.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 28' ' ' SER . 45.8 pttt -61.99 -41.33 97.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.682 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.5 m -170.89 -63.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.2 ttt -146.25 69.2 1.2 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.491 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.49 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 18.5 t -91.16 -50.47 5.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.831 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.14 61.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.203 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.516 ' HB3' HG22 ' A' ' 66' ' ' THR . 23.0 p-80 -158.31 155.03 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.942 0.401 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -106.05 147.51 28.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.7 p -97.34 179.02 5.03 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -44.62 -64.82 1.95 Allowed Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.751 0.657 . . . . 0.0 113.598 -178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.95 -47.52 22.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.553 2.169 . . . . 0.0 113.174 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.17 -44.39 92.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.586 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -64.63 -44.17 91.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.446 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -62.26 -30.42 71.1 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.527 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.1 m -61.04 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.743 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.16 -36.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.168 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.0 mt -59.58 -37.35 78.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.333 0.587 . . . . 0.0 110.64 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.73 -26.52 67.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.219 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.1 mm-40 -77.85 -9.27 58.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.0 t -75.29 -14.85 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.344 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m 69.85 21.3 6.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.325 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.99 149.61 40.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 51.7 Cg_endo -70.37 158.87 54.84 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.499 2.132 . . . . 0.0 112.221 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.46 -33.22 73.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.62 72.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.948 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.483 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.9 mm100 -73.49 -42.84 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.419 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 40' ' ' LEU . 77.5 mt -59.43 -41.57 89.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.682 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.83 92.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.935 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.8 t -63.15 -45.29 92.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.967 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.9 -45.7 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.744 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.537 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 52.0 t-105 -59.16 -50.3 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.722 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -36.18 76.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.194 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 mt -74.18 -38.88 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.819 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.3 t -74.54 -54.53 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.856 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -61.76 120.31 10.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.12 -35.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.922 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.38 -5.59 10.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.916 0.389 . . . . 0.0 111.452 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 67.56 32.77 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.524 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.57 -34.13 53.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.786 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 108.02 32.89 3.15 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -136.02 148.73 48.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 110.488 177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' HB1' ' A' ' 36' ' ' ALA . 26.7 mt -131.57 105.94 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.389 172.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 30' ' ' HIS . 45.0 p -73.13 -177.36 2.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB1' ' HG3' ' A' ' 17' ' ' ARG . . . -56.35 -52.83 63.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 111.46 -177.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 71' ' ' ILE . 45.8 mt-10 -69.22 -28.06 66.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.96 -177.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.16 -36.37 64.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 0.0 109.826 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' HE1' ' HD1' ' A' ' 16' ' ' TYR . 47.0 t80 -59.03 -40.69 85.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.869 174.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 68' ' ' GLU . 72.2 mt -60.12 -46.09 94.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.446 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.84 -47.18 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.721 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.92 87.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.018 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.9 mmt -64.84 -32.89 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.423 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.491 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.1 t60 -66.25 -37.79 86.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.71 -38.47 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.142 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.13 -44.63 98.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.77 -44.61 86.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.988 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 75' ' ' HIS . 73.4 t -62.52 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.662 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.07 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.389 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -35.2 78.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.34 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -84.68 10.43 11.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.083 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.01 77.75 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.152 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.431 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . 28.0 mm-40 -92.65 144.43 28.66 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 146.21 37.98 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 113.269 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.92 143.34 26.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.004 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.7 Cg_endo -79.76 155.93 24.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.797 2.332 . . . . 0.0 112.742 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -75.35 -33.51 4.2 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.763 2.308 . . . . 0.0 111.062 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 t -124.36 149.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 17.8 tp -101.53 139.94 20.82 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.495 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.1 Cg_exo -79.54 152.95 23.34 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.706 2.271 . . . . 0.0 111.535 176.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.53 -29.24 77.79 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.313 2.675 . . . . 0.0 113.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.876 0.369 . . . . 0.0 110.818 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.86 -14.74 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 91' ' ' PRO . 59.9 mt -77.17 128.08 81.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 45.3 Cg_exo -56.86 152.59 41.98 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.39 2.06 . . . . 0.0 111.969 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 13.5 Cg_exo -69.41 158.66 56.61 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.873 2.382 . . . . 0.0 112.076 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m 73.02 -54.32 0.7 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.781 0.675 . . . . 0.0 111.921 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -60.2 -15.39 23.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.636 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.78 -56.96 10.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.541 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -135.1 58.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.47 10.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.436 0.636 . . . . 0.0 109.72 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' A' ' 103' ' ' ARG . 11.5 ptm180 -90.25 124.53 34.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.266 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.5 tp -115.98 94.4 4.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -128.47 114.87 17.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.593 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -138.55 8.29 2.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.007 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -56.92 113.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.03 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -143.43 165.14 28.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -123.61 168.19 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 m170 67.84 151.92 0.08 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.822 0.82 . . . . 0.0 112.999 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.11 170.54 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo . . . . . 0 N--CA 1.479 0.633 0 N-CA-C 110.245 -0.713 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.81 115.02 2.16 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.957 2.438 . . . . 0.0 112.671 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.63 122.22 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.313 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 69.95 4.4 4.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.766 175.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -95.61 106.4 18.49 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t90 71.99 114.1 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 O-C-N 124.316 1.01 . . . . 0.0 109.483 -172.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -59.81 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -168.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 13' ' ' ARG . 7.7 p -63.11 120.9 65.55 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.641 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.22 134.49 44.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.014 2.476 . . . . 0.0 112.611 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 15.3 pt20 -51.58 -47.79 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.274 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -59.69 -43.6 93.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.777 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 17.3 m -70.54 -41.42 72.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptt180 -72.96 -30.83 64.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.169 -174.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -66.39 -36.18 82.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 110.278 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' SER . 80.9 tttt -60.22 -47.08 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.03 175.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.525 ' HD2' HG23 ' A' ' 71' ' ' ILE . 5.3 m-85 -74.79 -27.9 60.5 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.176 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.613 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -65.07 -27.32 68.69 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -78.55 -13.22 59.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.266 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 22' ' ' SER . 8.5 tp -153.82 38.58 0.47 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.79 -173.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 19.4 t80 -34.77 -79.33 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 61.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 39.4 t30 -47.24 -47.76 24.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -154.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.599 ' HB3' HD12 ' A' ' 19' ' ' LEU . 24.1 t -64.28 -24.43 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -92.0 -11.49 35.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.691 0.281 . . . . 0.0 110.964 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -94.89 145.94 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.075 0.464 . . . . 0.0 110.396 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.701 ' HG3' ' HG2' ' A' ' 27' ' ' MET . 14.2 ptpt -87.96 27.27 1.2 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p 52.29 36.07 18.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.619 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.701 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 26.2 ptm -156.42 11.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.647 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -103.14 -52.24 3.08 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.725 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 -13.67 58.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.707 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.69 ' HB3' HG22 ' A' ' 66' ' ' THR . 17.8 p-80 -155.81 150.46 26.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 0.0 110.303 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 85.3 mt -97.22 146.4 25.14 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -73.83 165.63 24.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.697 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 34' ' ' PRO . . . -47.61 -62.9 3.75 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.521 174.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 33' ' ' GLY . 10.2 Cg_endo -51.32 -46.45 31.29 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.903 2.402 . . . . 0.0 112.803 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.64 -52.35 66.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -56.82 -47.22 80.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.821 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' MET . 23.9 mtm180 -67.92 -37.28 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.891 -177.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 89.8 m -62.11 -41.35 98.13 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.04 -38.42 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.266 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 58.6 mt -60.31 -43.73 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 93.6 mmm -61.12 -24.41 66.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.487 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 38' ' ' THR . 15.3 mm-40 -70.08 -10.25 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.712 -176.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -77.01 -16.3 59.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 110.214 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m 68.22 13.3 9.04 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.064 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.91 148.14 63.83 Favored Pre-proline 0 N--CA 1.454 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.127 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 31.8 Cg_endo -65.62 156.04 65.88 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.688 2.259 . . . . 0.0 112.761 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -30.77 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.114 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.539 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.7 mm100 -73.72 -45.0 54.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.02 177.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.96 -45.24 90.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.791 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.65 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.28 -47.31 77.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.466 HG23 HD12 ' A' ' 76' ' ' LEU . 87.3 mt -62.84 -42.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -60.27 -50.19 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.6 -33.89 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.195 0.522 . . . . 0.0 110.538 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 90' ' ' LEU . 80.3 mt -73.3 -37.93 66.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.375 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.516 ' HA ' HD23 ' A' ' 72' ' ' LEU . 23.0 t -79.26 -42.76 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.882 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -81.98 99.31 9.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 99' ' ' PHE . 4.2 mp -74.88 -26.19 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.501 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -117.56 5.6 12.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 46.72 45.76 14.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.317 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.72 -19.83 30.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.58 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.33 17.83 58.25 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.722 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -137.27 151.62 48.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.563 HD12 ' HB1' ' A' ' 36' ' ' ALA . 24.9 mt -122.87 109.33 14.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.623 0.249 . . . . 0.0 110.88 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 30' ' ' HIS . 45.3 p -71.35 -174.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.77 -53.7 54.95 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.783 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.14 -36.82 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.444 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -72.01 -43.51 64.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.945 0.403 . . . . 0.0 110.216 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.644 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 52.7 t80 -63.81 -37.18 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.525 HG23 ' HD2' ' A' ' 16' ' ' TYR . 58.3 mt -55.82 -45.93 79.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.617 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 57' ' ' SER . 65.4 tp -61.57 -48.08 82.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.876 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.72 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.644 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 2.0 mmt -63.28 -33.13 74.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.348 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' O ' HG23 ' A' ' 79' ' ' VAL . 74.6 t60 -69.14 -39.89 78.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.114 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.466 HD12 HG23 ' A' ' 53' ' ' ILE . 99.1 mt -64.07 -36.19 83.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.164 176.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -60.66 -50.8 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.41 -43.84 84.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.919 0.39 . . . . 0.0 110.582 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 84' ' ' GLN . 95.9 t -63.05 -47.98 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.126 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -66.08 -27.87 68.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 111.072 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.4 mmm -67.86 -23.33 65.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.267 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -87.48 -0.27 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.195 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.4 7.69 63.32 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.031 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -75.92 144.02 75.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.731 0.265 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.1 Cg_exo -74.17 133.9 18.56 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.682 2.255 . . . . 0.0 112.066 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 80' ' ' ALA . 91.9 mt -81.43 143.41 51.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.8 Cg_endo -82.8 154.03 15.17 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.527 2.151 . . . . 0.0 112.258 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.7 Cg_exo -75.19 -30.54 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.99 151.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.002 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.416 ' HB2' HD22 ' A' ' 56' ' ' LEU . 21.1 tp -99.28 142.25 24.28 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 11.8 Cg_exo -72.87 153.3 53.04 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.596 2.197 . . . . 0.0 111.784 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HA ' HD12 ' A' ' 95' ' ' ILE . 27.6 Cg_exo -62.52 -27.4 76.77 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.046 2.497 . . . . 0.0 113.059 -175.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 42.5 mp0 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.24 -4.72 51.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.164 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 92' ' ' PRO . 69.4 mt -86.38 125.68 66.93 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.58 154.54 64.28 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.887 2.391 . . . . 0.0 112.088 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.15 157.5 44.3 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.693 2.262 . . . . 0.0 112.124 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 m 75.01 -27.83 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.573 0.749 . . . . 0.0 111.654 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 59' ' ' ILE . 94.9 m-85 -91.24 -0.52 57.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.241 175.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.48 -47.19 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.952 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -162.33 148.84 13.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.2 t 69.45 91.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.763 0.664 . . . . 0.0 110.975 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -89.22 -38.76 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 105' ' ' GLU . 2.6 pp -144.95 -43.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.895 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.561 ' N ' HD12 ' A' ' 104' ' ' LEU . 7.6 tp10 57.84 104.09 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.537 0.684 . . . . 0.0 110.938 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -104.84 16.38 26.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.344 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -109.9 109.87 20.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.787 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -73.24 105.68 4.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -75.24 103.69 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.08 -170.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -102.21 179.26 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.62 -0.705 . . . . 0.0 110.211 -179.541 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.8 Cg_endo . . . . . 0 N--CA 1.476 0.478 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 21.7 Cg_exo -66.78 128.91 19.79 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.889 2.393 . . . . 0.0 111.695 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.31 15.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.885 0.85 . . . . 0.0 109.666 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.84 79.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -170.05 157.8 6.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.774 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -69.94 126.53 29.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.14 29.69 0.09 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -122.57 132.53 24.25 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 50.7 Cg_exo -53.76 146.96 42.66 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.998 2.465 . . . . 0.0 112.473 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 48.7 tt0 -62.54 -42.7 99.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -59.66 -38.02 80.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 110.193 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.87 -38.6 70.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.589 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 28.9 mtp180 -55.3 -50.83 68.56 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.64 -39.61 91.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.188 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.98 -48.0 83.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.118 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' HB2' HG23 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.01 -25.48 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.221 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -69.72 -24.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.8 mt-30 -72.35 -14.01 61.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.814 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.574 ' O ' ' HE2' ' A' ' 70' ' ' PHE . 8.4 tp -155.46 43.79 0.45 Allowed 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.288 -170.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -40.19 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 120.507 3.521 . . . . 0.0 120.507 58.483 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.2 t-20 -46.47 -36.68 6.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -150.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' HD12 ' A' ' 19' ' ' LEU . 46.2 m -57.99 -24.28 57.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.006 0.821 . . . . 0.0 111.787 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -102.43 -12.64 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' HB2' ' HD2' ' A' ' 20' ' ' PHE . 23.8 t70 -82.61 130.14 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.697 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.38 20.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.38 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -133.45 -174.27 3.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.1 ttt -98.26 125.38 43.32 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 75.89 84.83 0.09 Allowed 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.91 83.71 0.05 OUTLIER Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.069 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.615 ' HB3' HG22 ' A' ' 66' ' ' THR . 4.1 p-80 -126.33 138.9 53.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.813 0.339 . . . . 0.0 110.766 168.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 20' ' ' PHE . 91.7 mt -103.53 160.72 14.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.88 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -86.32 174.52 8.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.767 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.82 -64.13 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.39 -41.59 71.83 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.762 2.308 . . . . 0.0 112.789 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -55.62 -53.54 55.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -59.83 -50.49 73.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.779 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -62.91 -34.73 78.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.5 m -66.02 -47.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.627 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.04 -38.25 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.167 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 57.8 mt -55.43 -45.7 76.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.306 177.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.02 -28.16 62.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.454 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 38' ' ' THR . 74.0 mt-30 -80.07 7.57 8.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.7 m -80.4 -86.22 0.08 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.89 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -175.46 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.119 0.568 . . . . 0.0 111.231 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -105.97 145.7 31.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.131 -0.356 . . . . 0.0 111.738 -169.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 83.8 Cg_endo -79.07 171.02 16.98 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.93 2.42 . . . . 0.0 112.349 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.55 -31.53 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.795 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.39 80.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -72.8 -39.23 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.48 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 79.4 mt -58.57 -41.04 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.09 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.001 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -67.89 -42.73 80.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.45 HD13 HD13 ' A' ' 77' ' ' ILE . 82.8 mt -66.07 -42.65 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.747 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.9 -47.88 82.98 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -52.16 -41.64 62.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.315 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.5 mt -73.89 -41.53 62.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.939 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -77.72 -36.57 50.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.35 85.14 2.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.256 0.551 . . . . 0.0 109.554 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' A' ' 99' ' ' PHE . 36.9 mm -72.28 -45.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.952 -172.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.17 11.35 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.003 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 43.99 38.17 2.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.969 0.908 . . . . 0.0 112.05 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -110.93 -7.95 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.307 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.31 27.5 55.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.845 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -137.09 127.3 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.582 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.0 mt -101.74 113.11 26.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 -177.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.615 HG22 ' HB3' ' A' ' 30' ' ' HIS . 67.7 p -75.02 176.1 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.781 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.27 -53.28 55.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.607 0.241 . . . . 0.0 111.395 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.59 -35.8 78.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.66 -43.14 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.235 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HE2' ' O ' ' A' ' 19' ' ' LEU . 65.2 t80 -64.54 -39.57 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.559 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 16' ' ' TYR . 89.7 mt -60.34 -43.08 92.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.061 0.457 . . . . 0.0 110.111 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' A' ' 90' ' ' LEU . 63.8 tp -61.54 -46.46 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.257 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.06 -47.83 81.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.332 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 30.8 mmt -59.18 -37.6 77.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.909 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.469 ' O ' HG23 ' A' ' 79' ' ' VAL . 80.3 t60 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.329 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -65.04 -36.07 83.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 176.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' A' ' 81' ' ' MET . 27.3 mm -56.52 -51.07 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.726 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.06 -38.37 90.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 75' ' ' HIS . 91.9 t -63.03 -49.41 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.649 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.846 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.514 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.53 -28.68 69.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.465 175.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -79.86 -11.38 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.177 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.95 6.65 55.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.774 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HB2' HG12 ' A' ' 79' ' ' VAL . 15.2 mm100 -82.92 143.58 46.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.591 0.234 . . . . 0.0 110.758 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.33 150.1 22.21 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.474 2.116 . . . . 0.0 112.248 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.502 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 77.2 mt -110.54 143.45 28.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.472 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.5 Cg_exo -75.63 154.48 39.6 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.043 2.495 . . . . 0.0 112.134 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.21 -29.91 21.02 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 111.597 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.4 136.82 54.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.536 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.449 ' CD2' HD21 ' A' ' 72' ' ' LEU . 22.0 tp -92.8 141.2 24.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.519 ' O ' HG13 ' A' ' 95' ' ' ILE . 25.6 Cg_exo -65.53 152.66 81.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.451 2.101 . . . . 0.0 111.951 174.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 17.2 Cg_exo -67.49 -22.84 44.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.874 2.382 . . . . 0.0 112.773 -175.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.92 -14.56 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.89 -19.87 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 91' ' ' PRO . 37.6 mt -83.26 123.81 76.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.061 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.3 Cg_endo -60.68 153.17 63.9 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.296 1.998 . . . . 0.0 111.905 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 27.8 Cg_exo -62.55 152.86 75.17 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.91 2.407 . . . . 0.0 112.094 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 m 73.3 -40.84 0.48 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 123.918 0.761 . . . . 0.0 111.742 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' HB3' HG21 ' A' ' 59' ' ' ILE . 88.5 m-85 -67.04 -19.38 65.67 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 110.831 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -61.99 -42.49 99.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.095 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 50.05 86.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.927 0.891 . . . . 0.0 113.089 172.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -99.92 118.94 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.337 0.589 . . . . 0.0 109.859 172.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 103' ' ' ARG . 7.9 tpt180 -141.2 40.65 1.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.969 -175.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 46.3 tp -75.62 95.73 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.312 0.577 . . . . 0.0 111.006 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.49 153.11 39.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.8 m80 62.02 80.69 0.22 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.55 0.531 . . . . 0.0 110.405 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -126.7 97.71 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.103 0.478 . . . . 0.0 111.374 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -140.72 -57.81 0.52 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.6 t60 60.64 -88.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.442 -1.254 . . . . 0.0 112.381 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -175.52 133.36 0.29 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.679 0.276 . . . . 0.0 110.766 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 . . . . . 0 C--O 1.241 0.642 0 CA-C-O 118.499 -0.762 . . . . 0.0 108.998 169.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo . . . . . 0 N--CA 1.478 0.586 0 N-CA-C 110.379 -0.662 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.34 108.15 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.813 2.342 . . . . 0.0 113.234 -176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.6 t 65.82 122.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.194 -0.912 . . . . 0.0 113.212 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.54 146.74 16.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.446 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -88.47 9.91 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.835 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -85.16 116.77 23.71 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.12 4.82 11.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.16 125.55 74.36 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.29 149.34 37.57 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.677 2.251 . . . . 0.0 112.75 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.71 -37.15 83.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.167 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -63.91 -42.69 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.527 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -62.78 -44.47 96.1 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.71 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -54.26 -54.23 42.86 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.41 -37.35 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.536 0.522 . . . . 0.0 111.591 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -49.44 76.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.039 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.07 -15.92 27.12 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.192 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 17' ' ' ARG . 23.6 ttt85 -68.84 -25.64 64.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -73.44 -14.8 61.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.27 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.4 tp -156.85 40.13 0.33 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.354 -169.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.94 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 119.423 3.12 . . . . 0.0 119.423 60.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.08 -42.64 29.3 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.496 ' HB2' HD12 ' A' ' 19' ' ' LEU . 28.3 m -61.67 -30.95 71.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.379 0.536 . . . . 0.0 111.662 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -89.64 -26.67 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.052 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -66.56 129.76 40.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.283 0.563 . . . . 0.0 111.122 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -131.53 11.93 4.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.934 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -122.9 -4.73 8.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.213 -175.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.9 mtt 66.77 80.18 0.22 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.368 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.0 m 59.96 51.73 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.076 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 24.97 25.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.075 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.616 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.1 p-80 52.95 169.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.888 1.275 . . . . 0.0 112.836 -176.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -106.88 160.27 15.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.69 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.6 p -87.37 168.91 12.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.107 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.92 -63.63 4.62 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.132 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.75 -45.75 30.46 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.8 2.333 . . . . 0.0 113.054 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.77 -48.4 80.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 110.833 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.631 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -57.8 -48.35 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.673 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 41' ' ' MET . 87.0 mtt180 -64.18 -36.35 83.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.541 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.4 m -63.42 -45.92 88.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.37 -33.68 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.276 0.56 . . . . 0.0 110.06 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 59.1 mt -59.08 -41.55 88.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.062 175.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 67.7 mtt -66.71 -21.42 66.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.832 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.54 -14.8 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.439 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.3 p -85.71 -15.77 41.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.381 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 64.98 16.6 10.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.472 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.38 151.92 87.73 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.888 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.8 142.21 83.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.056 2.504 . . . . 0.0 112.257 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -32.01 68.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.621 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.12 71.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.9 mm100 -59.83 -47.0 87.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.308 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.43 -41.98 86.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.538 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.68 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.855 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.94 -44.29 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.822 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.714 HD13 HD12 ' A' ' 77' ' ' ILE . 95.7 mt -61.27 -46.07 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.836 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -60.25 -49.69 76.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.41 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -58.05 -36.38 72.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.714 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 90' ' ' LEU . 55.5 mt -74.22 -39.08 63.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.862 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -77.43 -39.66 46.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.754 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.749 ' OD2' ' HA ' ' A' ' 61' ' ' GLN . 16.6 t70 -68.75 103.26 1.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.52 -65.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.788 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -113.22 21.25 15.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.324 0.583 . . . . 0.0 110.963 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.749 ' HA ' ' OD2' ' A' ' 58' ' ' ASP . 69.8 mt-30 68.39 85.9 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.382 177.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -133.42 -26.93 1.6 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.233 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.44 24.87 66.96 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.936 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -138.03 128.68 26.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 mt -94.6 115.29 27.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.896 0.379 . . . . 0.0 110.991 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 30' ' ' HIS . 81.5 p -76.29 -170.32 1.43 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.069 173.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.44 -53.45 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.15 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -34.46 78.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.59 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.41 -41.1 63.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.936 0.398 . . . . 0.0 110.091 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.65 -40.96 98.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.472 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.15 -44.43 91.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.08 -49.57 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.698 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.97 51.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.942 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.435 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 11.9 mtp -68.85 -19.85 64.27 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.68 -177.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.52 -38.09 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.52 HD12 HG23 ' A' ' 53' ' ' ILE . 97.6 mt -64.53 -41.66 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.595 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 53' ' ' ILE . 1.6 mp -59.9 -44.06 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 173.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.69 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.79 -44.67 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.797 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -59.92 -17.56 38.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.246 176.009 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 m -84.5 -1.81 56.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.405 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.82 -7.6 59.24 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.279 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -92.74 144.32 28.42 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-O 120.727 0.298 . . . . 0.0 111.308 -177.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 6.4 Cg_exo -74.85 174.53 12.58 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.103 2.535 . . . . 0.0 112.525 178.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.6 mt -120.55 154.58 56.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.916 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 31.4 Cg_exo -61.76 153.88 64.6 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.138 2.559 . . . . 0.0 112.488 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.87 -31.81 23.98 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.684 2.256 . . . . 0.0 112.407 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.08 152.04 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.76 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB2' HD22 ' A' ' 56' ' ' LEU . 19.2 tp -83.71 140.78 41.04 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.4 Cg_exo -76.73 154.81 34.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.765 2.31 . . . . 0.0 112.136 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.86 -21.3 71.97 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.91 2.407 . . . . 0.0 112.749 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.18 -15.05 61.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -108.75 10.45 26.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.275 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.6 HG22 ' HB3' ' A' ' 100' ' ' ARG . 47.2 mt -89.25 117.77 68.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.83 151.34 84.67 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.586 2.19 . . . . 0.0 112.492 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.95 -36.09 32.09 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 111.561 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.0 m -73.24 0.77 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.73 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.07 -36.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.6 ' HB3' HG22 ' A' ' 95' ' ' ILE . 12.4 ptm180 -62.22 -33.4 74.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.66 0.267 . . . . 0.0 110.929 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -172.85 91.53 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -116.99 5.04 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.941 0.877 . . . . 0.0 110.289 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -132.3 -172.21 2.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.421 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.6 tt 72.39 106.19 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 124.31 1.006 . . . . 0.0 109.719 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.87 164.72 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.799 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -63.77 116.0 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -136.93 139.59 41.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.252 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -73.33 130.58 40.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.648 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -169.74 100.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.711 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.31 127.95 48.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.274 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.245 0.845 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 177.716 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.475 0.437 0 N-CA-C 110.448 -0.635 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.8 124.91 15.42 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.706 2.271 . . . . 0.0 111.796 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.1 121.52 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.554 0.692 . . . . 0.0 110.967 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.13 25.53 4.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.024 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 6' ' ' TRP . 6.3 mm-40 71.24 145.02 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.547 -174.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.42 ' HB3' ' O ' ' A' ' 5' ' ' GLU . 20.2 t90 74.61 118.09 0.05 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 0.0 111.016 174.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.46 65.68 7.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.63 124.55 24.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.119 167.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.6 135.82 48.75 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 112.393 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 52.3 tt0 -56.37 -48.67 76.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -176.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -60.26 -35.42 75.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -75.19 -45.89 37.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.2 ptm180 -67.35 -31.73 72.17 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 -175.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.7 -39.33 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.04 -39.53 90.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' HD2' HG23 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.952 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.56 ' HB2' HD11 ' A' ' 71' ' ' ILE . 20.6 ttt180 -63.78 -24.36 67.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 5.0 mt-30 -72.42 -14.08 61.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.024 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 22' ' ' SER . 12.6 tp -155.61 38.46 0.38 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.292 -172.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HE2' ' H ' ' A' ' 28' ' ' SER . 4.2 t80 -35.62 -81.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 119.738 3.236 . . . . 0.0 119.738 61.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.583 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 26.5 t-20 -47.44 -40.9 19.18 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -154.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.534 ' HB2' HD12 ' A' ' 19' ' ' LEU . 45.1 m -61.42 -23.35 65.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.389 0.54 . . . . 0.0 111.757 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -94.8 -2.75 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.087 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -101.6 162.61 12.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -103.88 -23.55 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.337 . . . . 0.0 110.528 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -139.75 -79.0 0.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttm -170.9 122.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.082 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.576 ' H ' ' HE2' ' A' ' 20' ' ' PHE . 44.7 m 65.69 39.75 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.639 0.587 . . . . 0.0 112.201 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.4 7.64 71.55 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.556 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.2 p-80 60.45 146.5 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.831 1.652 . . . . 0.0 113.914 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.7 145.12 37.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.491 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 p -85.47 166.29 16.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.336 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.55 -63.22 2.85 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.694 -0.684 . . . . 0.0 113.686 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.38 -47.43 22.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.724 2.282 . . . . 0.0 113.031 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.56 -46.8 88.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.026 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.21 -47.61 82.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 177.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.501 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.1 m -61.84 -40.63 95.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG21 ' HZ ' ' A' ' 70' ' ' PHE . 60.4 mt -74.44 -34.6 36.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.413 . . . . 0.0 110.434 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 71.9 mt -60.13 -40.35 89.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.674 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.18 -18.83 64.86 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.874 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -69.83 -12.23 61.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.262 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.2 p -75.41 -21.06 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t 67.63 16.23 9.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -85.93 156.83 57.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.52 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 20.0 Cg_endo -61.74 147.87 94.34 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.853 2.369 . . . . 0.0 112.681 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -58.0 -31.04 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.974 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.619 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.1 mm100 -73.5 -42.3 62.01 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.096 178.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.98 -47.79 83.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.379 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.67 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -63.85 -40.84 97.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.17 -43.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.174 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -59.21 -49.59 77.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.119 0.485 . . . . 0.0 110.361 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.19 -35.87 74.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.904 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.7 mt -75.14 -30.87 60.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.737 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -68.32 -50.99 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.597 -173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -92.77 119.46 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.201 0.524 . . . . 0.0 109.858 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 59' ' ' ILE . 3.4 mp -71.88 -34.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.251 -175.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -108.87 -13.53 14.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.58 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 66.28 54.31 0.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.151 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -89.93 -22.88 21.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.27 1.83 44.51 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.474 -0.87 . . . . 0.0 114.21 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 8.9 mptt -117.84 138.05 52.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.702 0.751 . . . . 0.0 110.22 178.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 69' ' ' GLU . 18.8 mt -112.23 106.69 15.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.213 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 30' ' ' HIS . 17.5 p -83.77 -163.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.33 -53.18 61.24 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.04 -38.86 92.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.575 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HB3' HD22 ' A' ' 65' ' ' LEU . 2.0 mp0 -73.45 -41.91 62.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.961 0.41 . . . . 0.0 110.478 -175.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 56.9 t80 -68.91 -39.88 79.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.742 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 17' ' ' ARG . 61.5 mt -58.92 -38.61 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.431 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.2 tp -61.13 -50.63 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.277 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.18 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -60.11 -38.15 82.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -69.79 -34.67 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.202 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -67.94 -39.82 83.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 81' ' ' MET . 30.5 mm -58.82 -44.43 90.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.195 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.73 -41.29 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.028 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.58 -43.73 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.978 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.46 76.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -58.66 -26.22 63.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 111.257 178.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.449 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 22.8 t -75.46 -13.21 60.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.688 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.69 21.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.532 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 14.4 mm100 -93.79 144.51 28.28 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 120.606 0.241 . . . . 0.0 110.783 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.7 Cg_exo -69.21 151.75 72.19 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.985 2.457 . . . . 0.0 112.152 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.4 mt -94.85 144.33 27.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.082 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 8.3 Cg_exo -72.37 153.68 55.86 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.67 2.246 . . . . 0.0 111.965 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.86 -39.09 15.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.697 2.265 . . . . 0.0 111.77 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.83 157.47 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.526 176.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.17 140.81 49.5 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 4.8 Cg_exo -78.17 153.71 28.39 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.535 2.157 . . . . 0.0 111.959 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' A' ' 95' ' ' ILE . 51.9 Cg_exo -57.19 -28.08 77.67 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.989 2.459 . . . . 0.0 112.286 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.18 -40.94 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.936 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -95.77 13.28 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.437 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 92' ' ' PRO . 68.2 mt -86.61 113.18 51.53 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 8.1 Cg_exo -72.5 155.88 54.65 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.138 2.559 . . . . 0.0 112.547 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 99' ' ' PHE . 32.5 Cg_exo -58.92 159.86 20.08 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 0.0 111.84 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 m 71.71 -14.14 0.52 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.162 0.585 . . . . 0.0 111.63 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 97' ' ' PRO . 87.3 m-85 -123.07 18.08 10.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.512 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -68.74 114.58 7.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 14.2 ptt180 -68.34 100.9 1.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.637 0.732 . . . . 0.0 110.912 -176.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 m -125.57 96.53 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.021 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.547 ' H ' HD22 ' A' ' 104' ' ' LEU . 31.8 ptt180 -170.23 21.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.135 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 103' ' ' ARG . 2.8 mm? -78.21 -22.63 48.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.258 -174.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 1.6 mp0 -64.59 -16.35 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.035 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -75.33 104.06 5.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.0 110.838 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -135.42 45.66 2.45 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -77.64 26.53 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.114 -167.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -137.03 100.9 4.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.842 0.353 . . . . 0.0 110.284 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -128.65 36.38 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.277 0.561 . . . . 0.0 110.728 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.358 174.617 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.478 0.592 0 N-CA-C 110.197 -0.732 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -58.37 152.89 50.83 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.387 2.058 . . . . 0.0 111.852 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 p -77.41 148.67 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.181 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.98 164.38 19.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 65.14 68.65 0.5 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.696 0.623 . . . . 0.0 109.616 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 7.0 t90 74.23 106.27 0.07 Allowed 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.062 -174.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.87 59.08 2.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.208 -168.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.615 170.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.68 137.63 20.56 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.081 2.521 . . . . 0.0 112.993 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.19 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.041 -175.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 p -62.19 -39.79 93.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.951 0.405 . . . . 0.0 110.311 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m -69.98 -41.9 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.929 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -55.75 -53.0 62.0 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.614 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.34 -45.79 83.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.727 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.67 -46.92 70.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.54 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.55 -6.99 59.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.203 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -75.91 -37.24 58.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -77.18 -14.41 59.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 22' ' ' SER . 6.4 tp -157.01 44.26 0.37 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.538 -170.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.675 ' CE2' ' HG ' ' A' ' 31' ' ' LEU . 8.0 t80 -39.32 -88.33 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 58.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' HA ' ' HD1' ' A' ' 20' ' ' PHE . 37.9 t30 -51.67 -37.11 49.1 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -149.63 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 19' ' ' LEU . 20.3 t -63.35 -23.57 67.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.527 0.603 . . . . 0.0 110.995 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -73.35 -9.89 59.17 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.285 . . . . 0.0 110.92 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.38 -174.68 3.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.258 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -145.31 -5.25 0.68 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 78.82 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.838 -0.164 . . . . 0.0 111.132 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.1 mtt 60.81 -161.85 0.28 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -72.51 -56.39 5.47 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.75 -7.39 0.46 Allowed Glycine 0 C--N 1.337 0.627 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 165.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.6 ' HB3' HG22 ' A' ' 66' ' ' THR . 5.4 p-80 54.08 165.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.279 1.032 . . . . 0.0 111.978 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.675 ' HG ' ' CE2' ' A' ' 20' ' ' PHE . 79.9 mt -110.04 160.74 16.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.68 172.33 8.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.34 3.63 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.017 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -52.86 -47.38 27.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.12 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.329 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.56 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.46 -47.26 84.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.512 . . . . 0.0 111.0 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -68.26 -28.61 67.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.972 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 93.8 m -64.73 -45.04 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 0.0 110.21 176.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.49 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.191 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.4 mt -59.75 -40.45 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.93 -23.36 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.358 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -66.66 -17.63 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 111.477 -177.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -79.17 -8.12 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.52 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 m 60.05 27.11 16.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.85 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.71 150.17 72.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.36 143.92 41.92 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.778 2.319 . . . . 0.0 112.007 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.94 -38.06 72.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.31 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.269 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.73 -42.25 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.366 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.95 -44.18 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.376 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.09 96.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 t -65.68 -48.56 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.236 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.419 HD13 HD12 ' A' ' 77' ' ' ILE . 91.1 mt -59.03 -46.06 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.691 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -58.39 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.368 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -60.1 -33.59 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.932 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.51 -38.3 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.136 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -91.1 -1.07 57.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.31 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.1 96.27 8.0 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.1 mp -96.46 -41.76 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.473 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.89 -18.78 46.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.697 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 65.5 24.45 11.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.421 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.28 -14.22 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.5 32.73 21.5 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.821 175.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.73 131.77 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.56 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.8 mt -103.34 117.7 35.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.94 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 30' ' ' HIS . 41.3 p -72.31 -172.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.566 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.97 -47.94 72.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.959 0.409 . . . . 0.0 110.23 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.48 -43.21 93.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.919 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' HB3' HD22 ' A' ' 65' ' ' LEU . 36.7 mt-10 -69.22 -33.79 73.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.44 -47.41 84.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 67' ' ' ALA . 71.8 mt -59.57 -45.5 93.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.346 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.17 -48.47 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.25 66.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.3 mtp -68.87 -21.23 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.347 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.545 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.2 t60 -68.62 -34.09 75.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.416 HD12 HG23 ' A' ' 53' ' ' ILE . 96.7 mt -67.34 -37.76 83.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.116 175.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 53' ' ' ILE . 1.9 mp -64.64 -42.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.48 -39.47 73.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.78 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 75' ' ' HIS . 88.0 t -67.0 -50.63 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.899 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.01 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.421 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.9 67.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.37 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 t -85.37 -2.38 58.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.346 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.56 9.78 61.11 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.427 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.425 ' HB2' HG12 ' A' ' 79' ' ' VAL . 13.6 mm100 -90.58 146.46 34.34 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.567 0.222 . . . . 0.0 110.874 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -79.67 178.49 7.26 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.242 . . . . 0.0 112.415 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.2 mt -112.38 144.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.1 Cg_exo -80.19 153.37 21.57 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.056 2.504 . . . . 0.0 111.839 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -74.65 -41.4 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 111.423 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 t -113.82 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.2 tp -108.6 141.74 23.93 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 12.4 Cg_exo -72.42 151.7 53.93 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.225 1.95 . . . . 0.0 112.227 177.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 34.5 Cg_exo -62.11 -22.67 74.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.339 2.693 . . . . 0.0 113.077 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.2 mp0 -66.59 -19.91 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.6 0.238 . . . . 0.0 111.161 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -95.87 3.37 53.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.2 mt -98.29 120.23 60.02 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 154.4 37.44 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.753 2.302 . . . . 0.0 112.742 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.84 -30.38 85.05 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.448 2.766 . . . . 0.0 112.691 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 m -58.46 -26.07 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.297 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -111.58 25.08 12.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.601 ' HA ' ' NE ' ' A' ' 100' ' ' ARG . 2.3 mmp_? -96.23 -39.98 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -106.31 16.91 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.968 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.44 3.02 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.832 0.348 . . . . 0.0 111.477 -172.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 54.43 103.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.87 107.43 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.783 0.325 . . . . 0.0 110.591 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.08 76.83 9.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 109.781 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -91.13 62.94 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.13 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -87.26 -5.99 58.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.275 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -77.83 123.94 27.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.251 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -105.41 148.75 26.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 173.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -138.31 -62.02 0.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.162 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.706 -168.907 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.9 Cg_exo . . . . . 0 N--CA 1.474 0.376 0 N-CA-C 110.689 -0.543 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 14.2 Cg_exo -69.84 118.7 5.84 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.864 2.376 . . . . 0.0 111.332 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.13 93.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.233 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.19 80.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.298 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.61 113.9 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.505 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 6.1 t90 70.17 103.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 124.176 0.923 . . . . 0.0 109.107 -172.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.75 49.27 0.62 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.158 -168.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.2 p -123.96 125.73 25.78 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 74.6 Cg_exo -52.23 145.65 34.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.261 2.641 . . . . 0.0 113.279 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.45 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.197 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 m -59.74 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.909 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -67.68 -43.48 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.83 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 90.8 mtt180 -55.99 -51.9 66.11 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.564 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.64 -45.95 91.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.748 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -63.05 -45.5 91.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.369 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.91 -9.34 57.08 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -75.41 -31.85 60.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -78.8 -13.69 59.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.592 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 22' ' ' SER . 6.8 tp -156.18 42.6 0.39 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.153 -171.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.625 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 4.1 t80 -38.39 -85.23 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 57.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -48.2 -31.35 5.66 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -150.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.551 ' HB2' HD12 ' A' ' 19' ' ' LEU . 44.3 m -60.14 -24.56 64.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.991 0.814 . . . . 0.0 110.831 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -102.12 4.52 39.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -90.92 142.48 27.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -97.88 -21.48 16.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.918 -174.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.586 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 8.4 p -138.83 -85.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.329 . . . . 0.0 111.824 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.586 ' SD ' ' HB ' ' A' ' 26' ' ' THR . 1.2 pmm? -155.38 87.29 1.1 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.389 0.614 . . . . 0.0 110.06 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 59.9 p 53.63 40.46 31.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.718 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.06 30.99 2.6 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.653 -0.703 . . . . 0.0 113.113 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.617 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.2 p-80 57.95 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.002 1.321 . . . . 0.0 113.525 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 166.1 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.111 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -88.86 171.04 10.21 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.21 3.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.448 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.52 -42.2 68.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.629 2.219 . . . . 0.0 113.091 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -63.62 -46.76 84.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.644 0.259 . . . . 0.0 110.716 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.23 -48.91 78.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.366 176.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -64.97 -33.78 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.708 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.3 m -65.56 -42.18 92.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.694 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.58 -42.94 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 110.075 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 54.5 mt -57.81 -42.77 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.788 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 ttp -68.96 -18.17 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.607 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 38' ' ' THR . 82.7 mm-40 -69.74 -6.4 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 111.269 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -72.55 -10.21 59.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m 67.71 20.81 9.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.978 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.47 151.51 56.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' OE1' ' A' ' 49' ' ' GLN . 34.2 Cg_exo -60.05 146.91 94.95 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.637 2.225 . . . . 0.0 111.681 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.1 -27.27 63.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.678 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.11 -51.23 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' O ' HG13 ' A' ' 53' ' ' ILE . 49.1 mt-30 -68.48 -41.34 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.378 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.01 -42.32 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.66 94.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.49 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.8 t -62.9 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.054 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.582 HD13 HD12 ' A' ' 77' ' ' ILE . 92.9 mt -61.63 -45.1 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -59.69 -49.38 77.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.358 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.06 -35.29 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.723 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 52' ' ' SER . 70.7 mt -73.46 -34.16 65.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.592 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.439 ' HA ' HD23 ' A' ' 72' ' ' LEU . 32.3 t -79.58 -56.26 4.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.023 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -69.98 98.21 1.25 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -50.77 -60.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.792 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.09 11.72 31.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 0.0 110.341 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 58.97 73.19 0.49 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.093 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -96.63 -39.49 9.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.704 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.98 6.72 32.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.904 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -131.54 128.05 38.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.556 HD12 ' HB1' ' A' ' 36' ' ' ALA . 23.0 mt -96.04 116.34 28.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.6 p -82.06 -170.9 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.51 -41.96 83.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.029 0.443 . . . . 0.0 110.019 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 1.7 mp0 -57.94 -46.71 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.385 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.08 -43.5 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.019 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.579 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 35.3 t80 -57.48 -46.49 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.182 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 67' ' ' ALA . 75.0 mt -61.2 -42.68 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.992 0.425 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.1 tp -61.43 -50.35 73.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.38 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.84 63.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 90.8 mmm -65.96 -25.82 67.29 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 79' ' ' VAL . 83.1 t60 -67.06 -34.46 77.72 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 53' ' ' ILE . 94.5 mt -70.7 -40.09 73.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.149 176.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.582 HD12 HD13 ' A' ' 53' ' ' ILE . 1.7 mp -58.81 -42.88 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.0 -41.56 78.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.152 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 75' ' ' HIS . 57.7 t -73.51 -51.07 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.956 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.76 -28.79 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.806 -175.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -55.42 -31.14 61.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.77 0.428 . . . . 0.0 111.722 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 t -78.88 -2.67 40.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.922 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.79 23.65 29.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.883 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -86.84 146.76 41.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 122.366 0.266 . . . . 0.0 110.733 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.68 152.37 42.42 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.591 2.194 . . . . 0.0 111.421 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 85.1 mt -110.58 144.03 29.38 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.609 0.243 . . . . 0.0 110.807 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 16.2 Cg_exo -68.51 154.85 70.85 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.952 2.435 . . . . 0.0 112.281 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.75 -36.31 11.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.568 2.179 . . . . 0.0 112.231 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.8 m -129.01 166.93 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.77 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.66 141.78 23.33 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.71 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 51.8 Cg_endo -73.06 153.78 52.27 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.025 1.817 . . . . 0.0 112.157 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 43.3 Cg_exo -58.09 -33.35 97.26 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 0.0 114.054 -174.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' OE2' ' HB2' ' A' ' 91' ' ' PRO . 1.3 pm0 -80.22 -13.37 59.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.195 -0.315 . . . . 0.0 111.4 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.71 ' HB2' ' HG2' ' A' ' 91' ' ' PRO . 0.5 OUTLIER -89.75 -9.17 50.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 0.0 110.68 177.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 58.4 mt -78.03 126.52 83.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.841 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 24.4 Cg_exo -63.73 153.88 72.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.716 2.278 . . . . 0.0 112.79 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.35 157.1 12.22 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.266 2.644 . . . . 0.0 112.139 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 m 75.59 -35.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.505 0.722 . . . . 0.0 111.16 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 85.1 m-85 -87.29 -16.2 35.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.274 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -68.96 -18.44 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.853 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -117.83 97.79 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.977 176.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.512 HG22 ' HG3' ' A' ' 103' ' ' ARG . 12.7 p -156.96 152.67 7.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.512 ' HG3' HG22 ' A' ' 102' ' ' VAL . 89.6 mtt180 62.56 78.25 0.3 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.419 0.628 . . . . 0.0 109.748 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.7 mt -86.86 102.34 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.792 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.38 114.98 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.109 175.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -111.81 110.45 20.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.434 0.635 . . . . 0.0 110.385 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -128.07 130.48 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.966 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -113.67 150.67 32.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.479 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -98.32 170.46 8.85 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -126.96 129.86 48.95 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.844 0.354 . . . . 0.0 110.724 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.5 m80 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.958 176.818 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.6 Cg_exo . . . . . 0 N--CA 1.476 0.465 0 N-CA-C 110.671 -0.55 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 3.6 Cg_exo -75.74 101.46 1.49 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.795 2.33 . . . . 0.0 111.833 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.2 84.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.267 0.556 . . . . 0.0 109.64 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.72 111.64 3.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.137 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 66.12 84.6 0.15 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.81 0.694 . . . . 0.0 110.233 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 2.1 t90 70.12 110.52 0.06 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.9 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.87 39.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.395 -0.82 . . . . 0.0 113.022 -170.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.78 116.72 26.26 Favored Pre-proline 0 C--N 1.316 -0.851 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 143.28 47.15 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.613 2.209 . . . . 0.0 112.017 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.546 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 28.8 tt0 -57.21 -46.31 83.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -178.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -56.93 -37.54 71.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -71.77 -45.86 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.437 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 11.3 ptm180 -66.9 -32.31 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.605 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 55.2 mt -62.34 -38.69 90.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.35 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.182 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' HB2' HG12 ' A' ' 71' ' ' ILE . 10.3 m-85 -81.42 -28.62 34.21 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.588 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 7.3 ttt180 -68.46 -25.62 65.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.444 0.64 . . . . 0.0 109.405 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -76.62 -12.64 60.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.836 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 22' ' ' SER . 7.9 tp -156.09 39.87 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.23 -170.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -36.09 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 119.204 3.038 . . . . 0.0 119.204 60.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.9 t30 -47.78 -45.25 29.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -152.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.521 ' HB2' HD12 ' A' ' 19' ' ' LEU . 53.0 m -71.22 -24.52 62.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.432 0.56 . . . . 0.0 112.414 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.7 m80 -94.78 -6.43 43.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.717 0.294 . . . . 0.0 110.341 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.65 119.51 12.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.388 0.613 . . . . 0.0 110.878 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -161.36 19.24 0.12 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.406 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.2 p -124.75 129.72 51.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.13 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ttt -59.88 146.53 41.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.864 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 m 76.59 102.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.665 1.228 . . . . 0.0 108.22 -169.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.68 52.75 0.15 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 114.956 -1.02 . . . . 0.0 114.267 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.766 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.6 p-80 -157.96 137.94 12.35 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.153 0.581 . . . . 0.0 109.557 172.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.08 140.38 31.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.0 p -77.41 175.17 10.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.802 177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -63.71 4.08 Favored Glycine 0 C--N 1.33 0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.053 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.62 -43.22 52.04 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.731 2.288 . . . . 0.0 112.774 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -60.46 -53.22 60.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.72 -49.03 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.888 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.97 -36.59 81.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.953 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.6 m -62.5 -40.95 98.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.46 -40.14 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.283 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 69.3 mt -56.65 -45.9 81.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.88 -16.64 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 38' ' ' THR . 76.6 mm-40 -71.41 -3.69 22.27 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 111.23 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 p -82.16 -3.93 55.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m 66.03 20.94 11.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.864 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 mt -97.49 147.74 33.43 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.253 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 20.0 Cg_exo -62.33 148.7 92.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 111.946 177.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.94 -20.05 65.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.74 -42.01 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.694 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.81 -38.79 89.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.298 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.0 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.301 . . . . 0.0 111.107 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -48.21 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 77' ' ' ILE . 89.8 mt -64.53 -37.63 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.052 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -58.79 -50.63 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.48 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.02 -33.85 73.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.55 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.77 -31.28 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -83.7 -50.55 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -68.53 113.31 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 99' ' ' PHE . 37.5 mm -91.95 -22.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 110.74 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -96.85 -17.24 20.32 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.526 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 66.53 31.5 7.92 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -88.68 -10.91 46.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.645 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.37 25.14 61.82 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.71 151.55 39.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD12 ' HB1' ' A' ' 36' ' ' ALA . 41.0 mt -122.27 118.27 28.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.766 HG22 ' HB3' ' A' ' 30' ' ' HIS . 71.3 p -74.72 -171.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 174.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.82 -53.22 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.516 0.198 . . . . 0.0 111.094 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -34.02 76.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.292 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.91 -41.56 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 59.5 t80 -59.6 -41.94 91.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.802 175.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 17' ' ' ARG . 65.0 mt -56.51 -46.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.828 175.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.5 tp -60.71 -52.57 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.929 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -53.6 56.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.759 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 96.7 mmm -65.81 -28.25 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.452 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' HG23 ' A' ' 79' ' ' VAL . 79.7 t60 -69.42 -34.76 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 53' ' ' ILE . 97.9 mt -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.572 HD12 HD13 ' A' ' 53' ' ' ILE . 1.5 mp -58.38 -43.78 87.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.866 172.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.19 -41.67 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 75' ' ' HIS . 89.8 t -62.58 -44.8 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.488 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -62.68 -42.25 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 177.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -25.54 67.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.323 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 m -81.4 1.94 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.691 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.95 14.56 72.12 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.593 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 28.8 mm-40 -93.82 146.44 31.72 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 11.9 Cg_exo -70.87 150.81 62.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.896 2.398 . . . . 0.0 112.478 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 93.0 mt -90.49 144.76 31.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.32 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 6.5 Cg_exo -73.94 153.71 47.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 178.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 3.1 Cg_exo -77.28 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 175.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.54 153.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.9 tp -83.44 140.41 41.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.697 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.4 Cg_exo -81.88 154.63 17.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.774 2.316 . . . . 0.0 111.881 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.66 -19.61 54.02 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 112.514 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 6.2 mm-40 -76.53 -19.87 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.022 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 91' ' ' PRO . 34.0 m-85 -100.71 3.17 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.146 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.9 mt -81.67 120.06 76.94 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 26.6 Cg_exo -63.41 151.72 83.53 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.46 2.107 . . . . 0.0 112.176 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 34.7 Cg_exo -62.54 -33.2 79.13 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.015 2.477 . . . . 0.0 112.947 -176.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -76.82 -21.62 54.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.2 m-85 -119.24 33.1 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.383 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -75.84 -40.85 53.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -128.71 111.56 13.29 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -171.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.46 147.15 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.212 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -95.01 93.87 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.147 0.499 . . . . 0.0 109.896 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.8 HD23 ' H ' ' A' ' 104' ' ' LEU . 2.4 pt? -95.14 136.49 35.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.442 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -105.54 129.74 53.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.957 175.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.5 123.19 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.289 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -94.88 178.58 5.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -156.8 -59.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.34 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 19.9 t-80 -173.47 -38.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 173.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 109' ' ' HIS . 38.3 m-70 72.96 177.1 0.26 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.748 0.655 . . . . 0.0 110.078 -172.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.463 -0.78 . . . . 0.0 109.357 174.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.4 Cg_exo . . . . . 0 N--CA 1.475 0.393 0 N-CA-C 110.428 -0.643 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 21.8 Cg_exo -65.38 117.71 4.82 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.944 2.43 . . . . 0.0 111.694 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t 63.54 85.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.857 0.837 . . . . 0.0 111.17 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.61 47.48 0.97 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.501 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.12 146.25 33.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.375 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -76.3 119.48 20.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 58.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.53 127.15 20.48 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.422 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.31 142.65 87.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.591 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.1 tp60 -55.4 -48.26 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.918 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -57.88 -35.12 70.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.843 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -75.63 -45.19 38.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.529 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 33.0 ptt180 -72.07 -32.34 66.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.73 -39.2 93.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.528 0.68 . . . . 0.0 110.211 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -38.83 92.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.869 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -91.83 -18.7 23.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.754 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -70.99 -25.83 62.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -70.88 -15.98 62.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.029 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 22' ' ' SER . 9.6 tp -161.81 41.33 0.14 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.421 -166.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -37.45 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 60.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -48.12 -44.34 31.87 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -152.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB3' HD12 ' A' ' 19' ' ' LEU . 21.4 t -62.91 -23.87 67.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.708 0.685 . . . . 0.0 111.383 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -92.38 -0.35 57.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.235 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -92.04 136.0 33.52 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -158.84 17.21 0.19 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.365 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -157.78 -172.53 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 95.4 mmm -91.96 70.36 5.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.097 0.475 . . . . 0.0 110.484 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.3 t -148.79 97.0 2.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.152 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.28 42.7 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.153 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 35.6 p-80 -172.32 149.97 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.972 0.415 . . . . 0.0 109.989 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.99 151.24 21.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 p -88.7 173.63 8.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.56 -64.97 3.06 Favored Glycine 0 CA--C 1.518 0.223 0 O-C-N 123.623 0.577 . . . . 0.0 113.191 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -45.7 37.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.567 2.178 . . . . 0.0 112.597 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -61.83 -43.66 98.4 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.0 111.068 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -65.5 -47.0 77.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.632 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 37' ' ' ARG . 23.0 mtp180 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.721 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 86.1 m -65.97 -36.79 84.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.5 -36.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.332 0.587 . . . . 0.0 109.904 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.4 mt -62.2 -44.09 97.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.665 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 38' ' ' THR . 23.0 ptp -66.77 -17.54 64.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.408 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 38' ' ' THR . 78.4 mt-30 -65.93 -14.6 61.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -82.42 -13.32 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.151 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m 63.16 30.39 15.99 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.571 177.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 81' ' ' MET . 89.7 mt -87.82 150.61 48.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.59 140.99 54.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.84 2.36 . . . . 0.0 112.63 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -37.06 73.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.261 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.58 88.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.991 0.424 . . . . 0.0 110.749 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -69.25 -40.38 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.219 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.37 -48.11 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -67.18 -42.22 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.64 -41.62 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -56.63 -49.99 73.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.811 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.17 -34.77 75.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.354 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.3 mt -73.67 -31.79 63.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.539 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 t -85.58 -25.68 26.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.6 140.56 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.489 0.662 . . . . 0.0 111.587 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.5 mt -124.31 -28.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.72 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -163.83 5.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -136.86 79.41 1.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.098 0.952 . . . . 0.0 110.15 -176.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.61 -16.54 49.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.017 -170.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.63 25.63 4.71 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 119.552 -1.308 . . . . 0.0 113.775 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -142.8 138.2 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.533 0.666 . . . . 0.0 110.845 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 69' ' ' GLU . 18.9 mt -126.26 113.09 16.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 30.1 p -77.23 -170.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.71 -38.53 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.91 -43.76 94.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.42 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' HD22 ' A' ' 65' ' ' LEU . 1.6 mp0 -72.47 -37.77 68.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.648 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -62.04 -45.62 92.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.728 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.2 mt -59.41 -43.86 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.27 177.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 90' ' ' LEU . 53.7 tp -61.61 -49.91 74.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.38 -52.57 64.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.489 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 21.4 mtp -74.08 -19.23 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.945 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.43 ' O ' HG23 ' A' ' 79' ' ' VAL . 29.7 t60 -69.45 -36.12 76.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 171.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.02 -38.72 66.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.787 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 74' ' ' MET . 31.4 mm -56.33 -45.86 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.492 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.19 -36.45 75.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 75' ' ' HIS . 78.9 t -74.62 -46.99 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.16 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.272 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.403 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.3 -11.88 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.702 177.347 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.1 t -92.66 12.08 24.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 109.989 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.05 15.44 81.65 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.329 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 33.0 mm-40 -79.95 147.08 65.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.874 0.369 . . . . 0.0 111.501 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 3.0 Cg_exo -76.34 153.94 35.94 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.017 2.478 . . . . 0.0 111.014 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.3 mt -100.65 143.15 26.01 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.363 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 1.4 Cg_endo -81.52 155.3 18.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.041 2.494 . . . . 0.0 112.279 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.65 -44.43 17.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 111.493 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.9 t -121.06 155.02 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 72' ' ' LEU . 18.6 tp -96.85 143.92 26.96 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -59.35 152.47 60.49 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.07 1.847 . . . . 0.0 111.936 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.91 -40.66 20.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.796 2.331 . . . . 0.0 113.067 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HA ' ' NH2' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -70.01 -14.84 62.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 111.699 -178.132 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -82.94 -16.16 48.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.338 . . . . 0.0 110.178 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.53 118.86 72.7 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 26.4 Cg_endo -62.31 153.37 70.74 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.524 2.15 . . . . 0.0 112.487 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 31.5 Cg_exo -61.68 156.91 45.03 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.635 2.223 . . . . 0.0 111.615 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m 75.07 -42.63 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.36 0.664 . . . . 0.0 111.198 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -76.13 -8.79 57.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.054 0.455 . . . . 0.0 110.63 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' NH2' ' HA ' ' A' ' 93' ' ' GLU . 88.4 mtt180 -75.35 -15.3 60.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 173.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -95.31 96.58 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.224 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.4 t -123.94 70.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 40.7 67.37 0.52 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.169 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 tt -123.47 99.82 6.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.036 0.446 . . . . 0.0 111.131 -174.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.0 -59.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -101.01 104.67 15.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.716 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -101.12 20.41 15.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.014 0.435 . . . . 0.0 109.875 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 43.4 m170 68.83 89.37 0.1 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.747 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -120.74 101.12 7.51 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -71.11 122.91 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 111.864 -171.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.6 t60 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.284 172.663 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 t90 . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 121.199 0.524 . . . . 0.0 110.075 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -5.53 33.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 126.59 82.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.71 137.28 21.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.161 2.574 . . . . 0.0 113.116 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.17 -42.82 86.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.32 -34.75 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.352 . . . . 0.0 110.487 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -70.33 -45.46 66.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' GLN . 27.1 ptt180 -61.46 -35.14 76.77 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 34.2 mt -66.53 -37.37 84.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.76 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -69.58 -36.04 75.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.172 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.481 ' HB2' HG12 ' A' ' 71' ' ' ILE . 37.2 m-85 -81.24 -35.0 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.659 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.639 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 2.6 tmm_? -61.34 -25.93 67.48 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -74.6 -13.9 60.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.178 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 22' ' ' SER . 7.2 tp -156.72 39.2 0.32 Allowed 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.383 -170.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.24 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 60.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.608 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 1.9 t-20 -47.56 -45.92 27.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -152.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.554 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.5 t -63.51 -22.8 67.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -96.5 -7.82 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.327 -0.406 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.53 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.7 p-80 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -107.15 137.76 44.6 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.918 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -72.83 165.01 25.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.803 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.76 -63.91 2.06 Favored Glycine 0 C--N 1.335 0.472 0 CA-C-O 119.647 -0.53 . . . . 0.0 113.637 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.31 -45.36 34.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.756 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -59.59 -53.38 58.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.792 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -59.06 -46.83 87.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.762 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -64.03 -32.35 73.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.568 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 96.6 m -62.34 -46.0 90.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.806 0.336 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.44 -34.76 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.135 0.493 . . . . 0.0 110.026 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.9 mt -64.78 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.9 mtp -62.87 -28.85 70.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.595 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 7.4 mm-40 -76.6 7.18 4.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.899 0.38 . . . . 0.0 111.464 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.9 p -84.9 -19.48 32.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 67.97 21.38 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.583 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.434 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 88.3 mt -87.31 158.55 51.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 30.0 Cg_endo -63.96 142.43 81.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.727 2.285 . . . . 0.0 112.654 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.18 -34.85 74.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.093 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.742 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.26 -37.36 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.868 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -58.81 -47.49 84.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.21 83.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.2 m -65.32 -48.75 71.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.63 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 HD12 ' A' ' 77' ' ' ILE . 79.4 mt -63.02 -38.54 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -60.08 -51.11 71.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.557 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.35 -34.76 74.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.05 -39.42 65.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.355 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -71.92 -61.39 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.457 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB3' ' NE2' ' A' ' 61' ' ' GLN . 24.7 t0 -63.46 104.98 0.69 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.23 -28.89 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.743 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.99 9.53 12.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.753 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 58' ' ' ASP . 28.3 mm-40 49.33 63.64 2.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.804 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -96.12 -42.17 8.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.545 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.9 21.46 8.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.797 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -138.87 130.4 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.4 mt -109.39 114.92 28.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.6 p -76.18 -170.63 1.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -64.79 -41.14 96.05 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.362 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 22.8 mp0 -64.29 -45.14 89.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.145 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.536 ' HB3' HD22 ' A' ' 65' ' ' LEU . 6.8 mm-40 -69.68 -36.09 75.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.05 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.3 mt -59.2 -41.87 85.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.002 0.429 . . . . 0.0 110.094 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.42 -52.39 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.639 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.69 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.146 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 mtp -64.98 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.579 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.8 t60 -67.17 -34.37 77.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.8 -37.24 76.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.225 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.435 HD12 HD13 ' A' ' 53' ' ' ILE . 1.7 mp -59.7 -40.96 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -39.91 95.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.0 t -61.2 -44.13 97.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.295 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.28 -38.31 89.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.5 mmt -63.08 -41.34 99.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -68.45 -12.79 61.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 25.86 59.57 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.055 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 94.5 mt-30 -101.25 144.64 28.96 Favored Pre-proline 0 N--CA 1.447 -0.593 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 17.6 Cg_exo -66.87 137.69 45.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.837 2.358 . . . . 0.0 112.735 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.8 mt -83.77 145.9 48.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.796 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.93 154.12 33.37 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.127 1.885 . . . . 0.0 112.042 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.35 -27.29 16.37 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.453 2.102 . . . . 0.0 111.636 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 t -132.5 149.98 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.408 HD23 HG12 ' A' ' 95' ' ' ILE . 19.3 tp -81.86 141.12 47.27 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.486 ' O ' HG13 ' A' ' 95' ' ' ILE . 87.4 Cg_endo -88.54 152.87 6.4 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.277 1.984 . . . . 0.0 112.171 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.86 -16.94 52.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.02 2.48 . . . . 0.0 111.703 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -58.6 -35.13 71.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.447 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.25 10.38 18.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.75 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 91' ' ' PRO . 67.8 mt -94.62 118.9 66.83 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 25.5 Cg_exo -63.3 154.06 70.42 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.904 2.402 . . . . 0.0 112.529 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.75 157.16 44.06 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.084 2.522 . . . . 0.0 112.083 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.7 m 74.52 -34.84 0.28 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.524 0.729 . . . . 0.0 111.916 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.41 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 86.9 m-85 -86.15 3.16 43.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.097 0.475 . . . . 0.0 110.524 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.759 -178.566 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.9 t90 . . . . . 0 C--O 1.235 0.339 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -84.06 68.25 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.319 0.58 . . . . 0.0 112.189 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.73 132.07 16.13 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.684 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.65 121.65 8.31 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.153 2.569 . . . . 0.0 112.568 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.6 tp-100 -53.98 -53.31 54.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.639 -174.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 m -58.45 -49.13 78.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -67.54 -34.3 76.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.111 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.622 ' HB2' HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -75.37 -34.61 61.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.502 -175.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 58.6 mt -64.38 -34.86 79.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -61.47 -40.92 96.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.798 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.476 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.1 m-85 -80.58 -22.13 41.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.704 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 71' ' ' ILE . 31.4 ttt85 -68.98 -26.43 65.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.705 0.764 . . . . 0.0 109.249 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -75.6 -13.58 60.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.559 -1.201 . . . . 0.0 112.027 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.604 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 9.2 tp -157.98 40.11 0.27 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.009 -170.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -35.9 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 119.501 3.149 . . . . 0.0 119.501 62.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -47.62 -52.36 18.19 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.746 1.157 . . . . 0.0 113.666 -156.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.529 ' HB2' HD12 ' A' ' 19' ' ' LEU . 73.9 m -72.19 -25.0 61.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.59 0.632 . . . . 0.0 111.808 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 37.4 m170 -75.5 -41.14 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.291 176.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 -178.059 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.661 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.6 p-80 . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 122.3 1.048 . . . . 0.0 112.623 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 134.04 42.2 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.382 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.2 p -75.85 174.3 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.03 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.511 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.68 -65.99 2.84 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.17 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.44 -44.4 49.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.17 . . . . 0.0 112.685 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.08 -52.87 63.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.289 . . . . 0.0 110.988 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.32 -45.25 94.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.03 -38.68 92.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.374 -178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 90.8 m -64.17 -41.74 97.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.544 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.73 -40.28 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 110.037 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.66 -47.16 87.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.5 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.418 ' HA ' HD11 ' A' ' 50' ' ' LEU . 25.8 ttt -65.56 -28.93 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.67 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 48.7 mt-30 -72.67 4.89 3.51 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -77.9 -85.57 0.07 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -172.96 11.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.104 0.561 . . . . 0.0 110.789 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.84 147.54 35.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 111.454 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.93 158.68 34.56 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.586 2.191 . . . . 0.0 111.129 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -62.28 -27.89 69.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.49 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.06 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.56 -37.07 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.727 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 41' ' ' MET . 94.8 mt -61.0 -37.66 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.03 93.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 0.0 110.694 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -67.41 -42.88 82.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.938 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 76' ' ' LEU . 80.8 mt -63.69 -43.88 98.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.453 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.511 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 44.5 t-105 -57.67 -50.58 72.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.795 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.27 -36.53 75.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.612 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -74.72 -28.47 60.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.019 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.405 ' HA ' HD23 ' A' ' 72' ' ' LEU . 25.1 t -88.76 -47.19 8.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -171.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -72.63 123.14 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mm -105.93 -30.53 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -129.58 -20.6 3.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.587 HE22 HG23 ' A' ' 66' ' ' THR . 40.2 mt-30 -108.26 -24.28 11.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -164.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.42 11.4 7.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.455 0.645 . . . . 0.0 110.855 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.12 26.14 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.846 -1.169 . . . . 0.0 113.83 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.566 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 50.0 mttp -150.28 146.18 26.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.474 0.637 . . . . 0.0 109.479 176.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.572 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.8 mt -120.21 109.12 15.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.652 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.5 p -78.1 -170.71 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.699 0.285 . . . . 0.0 111.539 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 15.3 mm-40 -67.36 -42.66 83.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.158 0.504 . . . . 0.0 110.566 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' HD22 ' A' ' 65' ' ' LEU . 29.0 mt-10 -74.76 -40.45 61.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.214 -173.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.46 -42.2 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.622 HG21 ' HB2' ' A' ' 13' ' ' ARG . 83.8 mt -61.09 -45.28 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.8 tp -59.3 -44.1 92.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.51 -52.96 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.405 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 38.8 mtp -70.84 -20.32 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.674 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -71.05 -35.87 72.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.412 HD12 HG23 ' A' ' 53' ' ' ILE . 96.7 mt -71.96 -32.94 67.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.758 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 73' ' ' ALA . 48.1 mm -59.59 -41.63 85.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.476 174.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -37.39 87.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.41 -48.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.618 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.07 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -26.43 68.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -80.24 -10.11 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.76 6.25 67.75 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.796 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.2 mm100 -82.89 143.73 46.77 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.531 0.205 . . . . 0.0 110.538 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.6 Cg_exo -73.15 153.82 51.79 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.353 . . . . 0.0 112.165 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 53.4 mt -84.83 144.06 41.45 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.002 177.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 7.8 Cg_exo -73.21 153.41 51.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.493 2.129 . . . . 0.0 111.701 177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 11.7 Cg_exo -71.5 -39.21 3.82 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 122.633 2.222 . . . . 0.0 111.3 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.04 138.13 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.551 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HB2' HD22 ' A' ' 56' ' ' LEU . 18.4 tp -85.83 142.14 36.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 3.7 Cg_exo -77.66 153.7 30.27 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.525 2.15 . . . . 0.0 111.782 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.56 -25.62 81.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.728 2.285 . . . . 0.0 111.976 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 10.2 mp0 -58.57 -34.65 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.208 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.85 -0.06 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 60.6 mt -85.7 122.28 73.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 50.1 Cg_exo -54.53 152.28 27.55 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 38.4 Cg_exo -61.38 -38.63 62.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.158 2.572 . . . . 0.0 112.887 -175.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -85.7 9.07 17.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.929 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HD1' ' HB2' ' A' ' 96' ' ' PRO . 61.9 m-85 -122.93 -31.11 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 111.671 -177.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.1 t90 . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.23 39.58 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -169.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.61 122.29 20.62 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -53.67 144.61 52.48 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.946 2.431 . . . . 0.0 112.712 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.2 tp-100 -56.35 -47.33 79.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.587 -174.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -61.24 -37.79 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.771 0.319 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 m -74.6 -44.18 51.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.9 ptm180 -63.89 -36.5 84.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.749 0.309 . . . . 0.0 110.818 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.01 -40.15 75.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 50.8 tttp -58.87 -41.47 87.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.342 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -89.2 -13.45 38.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.917 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -74.94 -25.5 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 31.9 mt-30 -70.27 -14.7 62.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.891 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.423 HD12 ' OG ' ' A' ' 22' ' ' SER . 12.7 tp -157.13 42.12 0.33 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.962 -169.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -38.67 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 59.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -47.18 -46.53 23.77 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -150.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.423 ' OG ' HD12 ' A' ' 19' ' ' LEU . 9.0 p -63.04 -23.13 67.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 118.291 0.496 . . . . 0.0 112.205 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -98.56 2.02 47.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 121.079 0.466 . . . . 0.0 110.287 179.145 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.779 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.9 p-80 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -109.29 158.95 17.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.581 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 p -89.78 177.1 6.59 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -48.97 -63.86 3.65 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 113.458 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.52 -42.63 60.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.76 2.307 . . . . 0.0 113.024 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.5 -50.21 68.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.516 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.29 -47.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.53 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 92.8 mtt180 -63.64 -30.04 71.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.935 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' ' 41' ' ' MET . 54.6 m -56.07 -48.27 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.103 0.478 . . . . 0.0 110.481 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.401 ' HB ' ' HZ ' ' A' ' 70' ' ' PHE . 57.3 mt -74.61 -40.9 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.387 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 73.1 mt -60.39 -37.72 81.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.244 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 38' ' ' THR . 27.4 ptt? -68.36 -18.33 64.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.691 0.281 . . . . 0.0 111.424 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.53 6.53 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.635 0.255 . . . . 0.0 111.351 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.0 p -78.51 -9.17 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.765 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 15.93 8.5 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.709 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -96.69 151.83 38.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 159.85 47.94 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.488 2.126 . . . . 0.0 112.25 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.11 -34.13 73.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.319 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -51.29 64.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.412 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -70.76 -38.02 73.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.334 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.74 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.396 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.96 74.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -66.15 -45.31 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.055 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.458 HD13 HD12 ' A' ' 77' ' ' ILE . 89.6 mt -64.67 -38.92 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.462 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 35.2 t-105 -59.26 -47.87 83.75 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.223 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.8 -32.57 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.817 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.55 -28.42 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.615 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 t -99.72 -18.83 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.3 93.46 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 99' ' ' PHE . 47.6 mm -74.37 -48.99 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.923 -172.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.57 -8.07 55.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.481 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 61.77 79.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.643 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -147.39 -50.34 0.19 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.187 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.4 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 134.57 22.34 0.69 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -119.79 133.59 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.516 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.1 mt -111.57 114.67 27.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.693 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.779 HG22 ' HB3' ' A' ' 30' ' ' HIS . 76.3 p -74.55 -178.91 3.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.209 174.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.88 -51.04 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.674 0.273 . . . . 0.0 110.934 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG3' ' HE2' ' A' ' 99' ' ' PHE . 2.1 pm0 -67.27 -31.27 71.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.158 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.01 -43.16 62.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.021 0.439 . . . . 0.0 110.104 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.431 ' HE2' ' HA ' ' A' ' 36' ' ' ALA . 24.9 t80 -60.62 -40.04 90.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.8 mt -60.66 -45.46 97.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.023 0.439 . . . . 0.0 110.673 177.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.82 -49.68 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.329 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.67 75.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.362 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.3 mmm -62.17 -32.61 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.485 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.1 t60 -70.06 -34.73 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.808 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.94 -35.78 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.458 HD12 HD13 ' A' ' 53' ' ' ILE . 1.5 mp -57.44 -46.19 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 171.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.64 -46.9 83.58 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.757 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.7 t -56.96 -52.08 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.098 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.13 93.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.097 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.68 -29.11 69.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.349 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 m -83.05 5.63 21.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.409 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.51 77.91 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.761 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -90.21 144.53 31.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.37 166.28 29.08 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.436 2.091 . . . . 0.0 112.045 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.73 147.27 35.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.114 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.7 153.5 69.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.004 1.802 . . . . 0.0 112.086 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.33 -39.9 27.59 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.275 1.983 . . . . 0.0 111.094 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 t -140.43 153.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.0 tp -80.54 140.09 51.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 2.3 Cg_endo -84.76 153.44 11.57 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.631 2.221 . . . . 0.0 111.981 177.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.43 -27.33 75.55 Favored 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 122.774 2.316 . . . . 0.0 112.713 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.7 -27.35 68.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.354 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.455 ' HE1' ' HD2' ' A' ' 75' ' ' HIS . 25.2 m-85 -95.6 -8.47 34.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.388 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.5 mt -85.59 115.07 60.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.286 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 17.5 Cg_exo -66.3 154.45 74.16 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.848 2.366 . . . . 0.0 112.291 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 52.1 Cg_exo -56.19 151.36 43.77 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.076 2.518 . . . . 0.0 112.018 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 t 74.93 -37.88 0.36 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.148 0.579 . . . . 0.0 111.142 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.542 ' HB3' HG21 ' A' ' 59' ' ' ILE . 77.7 m-85 -84.62 4.73 30.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 110.672 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 178.422 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.0 t90 . . . . . 0 N--CA 1.45 -0.472 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 39.86 0.08 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -171.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.4 126.95 19.54 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -48.72 133.67 27.21 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.469 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.502 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 20.5 mt-30 -60.21 -39.46 86.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.036 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m -65.55 -39.31 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -74.04 -41.46 61.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 8.2 ptp180 -62.58 -34.18 76.45 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.422 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 mt -71.3 -37.95 71.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 110.988 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.59 -45.41 65.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.186 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -85.42 -9.72 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.135 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.8 ttp180 -74.94 -25.79 59.14 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 170.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -71.87 -14.13 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.369 177.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.0 tp -158.86 42.42 0.24 Allowed 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.31 -170.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.5 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 32.0 t80 -37.7 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 119.933 3.309 . . . . 0.0 119.933 59.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.5 t-20 -47.82 -41.58 24.08 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.518 1.674 . . . . 0.0 115.518 -152.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' HD12 ' A' ' 19' ' ' LEU . 42.9 m -59.51 -24.77 63.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.773 0.715 . . . . 0.0 111.945 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.65 -32.98 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.234 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 CA--C 1.515 -0.389 0 CA-C-O 121.793 0.806 . . . . 0.0 109.741 178.627 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.684 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 . . . . . 0 CA--C 1.515 -0.396 0 CA-C-O 120.773 0.32 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 81.8 mt -92.2 141.32 28.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.14 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.87 165.31 21.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.061 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.74 -64.19 2.22 Favored Glycine 0 CA--C 1.522 0.5 0 O-C-N 123.393 0.433 . . . . 0.0 113.564 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.97 -41.62 73.19 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.555 2.17 . . . . 0.0 112.369 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.07 -54.54 43.78 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.277 0.361 . . . . 0.0 111.272 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -61.11 -44.07 97.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.933 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 37' ' ' ARG . 22.9 mtm180 -63.4 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.453 -178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 92.2 m -58.25 -52.51 65.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.0 -39.71 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 52.9 mt -58.76 -41.12 85.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.015 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.71 -19.27 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.707 0.289 . . . . 0.0 111.606 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.9 mm-40 -74.66 -2.86 28.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 111.312 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -77.03 -19.64 56.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.452 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.8 m 69.05 14.52 8.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.44 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 97.3 mt -76.2 160.17 78.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 35.8 Cg_endo -65.94 144.64 77.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.959 1.773 . . . . 0.0 111.274 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.08 -28.29 69.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.936 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.79 -47.03 81.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.09 0.471 . . . . 0.0 110.778 175.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.502 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 87.9 mt-30 -73.33 -38.32 65.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 178.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.18 -46.59 88.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.941 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.58 94.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.529 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.2 m -60.16 -48.75 80.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.637 HD13 HD12 ' A' ' 77' ' ' ILE . 94.7 mt -60.38 -44.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.932 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -59.57 -50.58 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.34 -34.91 76.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 mt -74.65 -31.7 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.946 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -87.16 -35.25 18.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -74.96 93.42 2.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.422 0.629 . . . . 0.0 109.829 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mm -82.45 -33.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.949 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.89 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.082 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 65.01 54.68 1.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.317 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.91 -10.36 3.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.85 35.07 10.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.666 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -139.17 148.0 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 36' ' ' ALA . 31.3 mt -120.73 112.01 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.593 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.684 HG22 ' HB3' ' A' ' 30' ' ' HIS . 52.6 p -71.03 178.11 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.6 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -60.57 -38.37 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.73 0.3 . . . . 0.0 110.674 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -67.16 -43.0 83.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.44 -35.12 65.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -60.04 -42.65 94.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.286 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.6 mt -59.0 -45.01 92.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.229 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.562 HD22 ' HD3' ' A' ' 96' ' ' PRO . 63.5 tp -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.659 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -52.97 62.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.93 -28.73 70.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.447 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.514 ' O ' HG23 ' A' ' 79' ' ' VAL . 75.9 t60 -68.12 -34.72 76.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.515 HD12 HG23 ' A' ' 53' ' ' ILE . 97.1 mt -69.7 -38.71 77.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.046 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.637 HD12 HD13 ' A' ' 53' ' ' ILE . 1.8 mp -59.38 -43.54 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.97 -41.84 88.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 75' ' ' HIS . 91.4 t -63.5 -45.35 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.425 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.65 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.4 mmt -64.37 -17.59 63.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.452 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -89.97 -10.85 43.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.961 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.11 23.27 32.78 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.275 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -94.8 143.73 26.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.692 0.282 . . . . 0.0 111.318 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.1 Cg_exo -74.16 134.84 19.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 111.431 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.72 144.0 41.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.84 154.01 43.0 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.531 2.154 . . . . 0.0 112.502 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.16 -28.37 12.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.398 2.065 . . . . 0.0 111.665 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.38 152.7 36.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.5 tp -101.08 140.33 21.21 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 9.7 Cg_exo -74.21 153.73 46.16 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.789 2.326 . . . . 0.0 112.132 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 31.2 Cg_exo -60.68 -28.17 86.07 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.0 2.467 . . . . 0.0 113.01 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.25 -17.5 64.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 111.525 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -101.64 -1.07 33.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.305 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 92' ' ' PRO . 69.5 mt -78.3 124.8 85.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.691 0.281 . . . . 0.0 110.781 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HD3' HD22 ' A' ' 72' ' ' LEU . 32.1 Cg_endo -63.88 154.43 69.89 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.102 2.535 . . . . 0.0 112.803 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 48.3 Cg_exo -55.51 151.22 38.97 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.046 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.1 m 74.29 -36.54 0.33 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.272 0.629 . . . . 0.0 111.958 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.502 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.8 m-85 -88.41 7.87 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.116 0.484 . . . . 0.0 110.235 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.961 -179.033 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 9.4 t90 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.303 0.573 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.54 67.48 2.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.753 -169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 p -142.86 129.17 10.55 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.771 171.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 50.9 Cg_exo -54.48 141.99 71.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.07 2.513 . . . . 0.0 113.216 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 18.8 pt20 -60.43 -35.49 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.983 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -61.75 -42.25 98.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -66.15 -42.17 89.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 18.3 mtp180 -58.72 -38.41 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.36 -48.02 52.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.408 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.04 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.455 ' HB2' HG12 ' A' ' 71' ' ' ILE . 53.4 m-85 -86.03 -7.08 58.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.803 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.798 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' ' 22' ' ' SER . 9.7 tp -162.71 42.54 0.12 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.006 -166.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -38.99 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 58.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -46.82 -41.08 14.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -150.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.485 ' HB2' HD12 ' A' ' 19' ' ' LEU . 34.0 m -59.21 -23.08 61.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.752 0.706 . . . . 0.0 111.394 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -102.32 12.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t70 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.485 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.3 p-80 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.21 158.26 16.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.05 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 p -90.03 173.61 8.11 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.322 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.09 -64.46 3.97 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.378 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.17 -43.05 55.93 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.616 2.21 . . . . 0.0 112.594 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.4 -47.42 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.575 0.226 . . . . 0.0 110.954 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.533 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.74 -46.67 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.204 0.526 . . . . 0.0 110.58 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.51 -39.75 94.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.721 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 96.8 m -59.79 -45.25 92.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.954 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.35 -39.26 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.004 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 50' ' ' LEU . 61.1 mt -57.39 -42.81 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.251 176.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.3 mtp -68.41 -18.79 64.53 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.613 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -79.5 1.58 25.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 m -78.91 -85.02 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.416 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 m 175.86 -32.77 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.678 0.791 . . . . 0.0 109.942 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 69.0 mt -66.81 144.99 98.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.848 -173.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.76 177.85 7.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.846 2.364 . . . . 0.0 112.123 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.19 -37.89 72.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.099 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.87 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.333 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 15.1 mm100 -73.46 -38.96 65.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 40' ' ' LEU . 51.6 mt -62.15 -45.17 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.52 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.65 83.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.738 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 t -62.47 -49.28 76.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.14 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.69 -42.55 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.984 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HZ2' ' HA2' ' A' ' 63' ' ' GLY . 37.8 t-105 -57.91 -48.49 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.448 . . . . 0.0 110.295 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.65 -33.87 73.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.721 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.78 -37.45 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.522 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -78.97 -46.64 17.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.24 117.55 19.61 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 110.41 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.4 mm -94.42 -26.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.241 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.04 -15.86 18.09 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.225 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 72.29 21.9 3.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.523 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' HD3' ' A' ' 64' ' ' LYS . 22.7 t0 -73.77 -32.79 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.438 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.402 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 95.98 1.36 61.45 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.221 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 10.3 mptt -114.63 140.2 49.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.533 HD12 ' HB1' ' A' ' 36' ' ' ALA . 29.7 mt -108.48 122.89 47.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 30' ' ' HIS . 43.6 p -78.64 -169.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.35 -47.2 71.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.101 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.98 -35.25 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.501 ' HB3' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -70.12 -38.98 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.036 0.446 . . . . 0.0 110.156 177.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.69 -46.01 90.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 67' ' ' ALA . 78.5 mt -59.56 -41.11 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.338 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.465 HD22 ' HD3' ' A' ' 96' ' ' PRO . 49.6 tp -62.13 -51.7 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.76 -48.18 78.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.204 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.3 mmm -67.38 -29.29 68.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.335 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.9 t60 -68.01 -36.32 79.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.76 -36.08 70.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.834 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 81' ' ' MET . 24.4 mm -56.58 -49.78 76.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.903 173.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.6 -39.99 81.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.49 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' HIS . 97.6 t -64.51 -50.43 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -67.67 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.5 OUTLIER -59.02 -27.22 65.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.33 0.652 . . . . 0.0 111.29 176.189 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 t -87.71 6.57 34.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.4 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.54 25.34 43.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.619 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.421 ' HB2' HG12 ' A' ' 79' ' ' VAL . 30.4 mm-40 -100.8 147.83 34.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.549 0.214 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.83 153.38 33.24 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.759 2.306 . . . . 0.0 112.463 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 80' ' ' ALA . 91.3 mt -95.97 144.26 27.52 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.662 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 74.2 Cg_endo -81.46 154.8 18.57 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.701 2.267 . . . . 0.0 112.496 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.4 Cg_exo -74.52 -32.67 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.723 2.282 . . . . 0.0 111.025 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.36 147.98 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.234 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.1 tp -102.99 141.95 23.54 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.896 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 16.2 Cg_exo -71.1 153.09 62.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.62 2.214 . . . . 0.0 112.209 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 33.8 Cg_exo -59.1 -30.81 94.21 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.247 2.631 . . . . 0.0 113.529 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.3 mp0 -60.98 -28.62 69.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.691 0.281 . . . . 0.0 111.488 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -93.46 -5.0 50.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 92' ' ' PRO . 59.8 mt -90.57 126.65 55.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.676 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.465 ' HD3' HD22 ' A' ' 72' ' ' LEU . 37.0 Cg_exo -61.83 157.86 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.986 2.457 . . . . 0.0 112.056 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.27 175.3 5.97 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.97 2.446 . . . . 0.0 112.688 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 m 70.65 -65.92 0.31 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.812 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -63.91 -10.57 21.75 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.43 179.649 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 . . . . . 0 N--CA 1.449 -0.497 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.99 126.97 84.86 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.4 Cg_exo -51.15 147.78 19.56 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.442 2.761 . . . . 0.0 113.28 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.48 -45.78 87.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.628 -175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -62.23 -34.15 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -70.79 -41.23 71.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 29.3 mtm180 -59.38 -38.04 79.48 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.85 -47.81 83.36 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 88.0 tttt -63.66 -42.63 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.412 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.446 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.5 m-85 -79.08 -18.21 53.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.81 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.6 tpt180 -75.02 -26.79 59.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 54.0 mt-30 -76.18 -17.38 59.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.638 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 22' ' ' SER . 5.2 tp -156.32 43.49 0.4 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.483 -168.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.484 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 6.2 t80 -38.67 -85.37 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 119.945 3.313 . . . . 0.0 119.945 57.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -47.13 -44.3 21.48 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -149.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' HD12 ' A' ' 19' ' ' LEU . 35.5 m -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.349 0.522 . . . . 0.0 112.007 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -103.14 9.78 38.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.73 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.6 t0 . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.76 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.535 ' HB3' HG22 ' A' ' 66' ' ' THR . 13.1 p-80 . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 99.0 mt -116.57 154.44 30.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.986 173.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 p -81.7 171.75 14.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.437 0.161 . . . . 0.0 110.8 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.2 -64.71 4.04 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 113.34 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.38 -41.09 80.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.526 2.151 . . . . 0.0 112.381 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.55 -44.19 91.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.718 0.294 . . . . 0.0 110.8 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.05 -48.5 81.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 110.303 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -65.8 -29.14 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.941 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -60.77 -41.45 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.859 0.361 . . . . 0.0 110.506 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.15 -38.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 77' ' ' ILE . 71.7 mt -60.37 -39.58 87.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.053 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.48 -23.21 66.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -72.48 -9.99 59.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 111.097 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.8 -12.61 55.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.301 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t 64.95 25.22 12.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.43 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 77' ' ' ILE . 85.9 mt -79.83 151.41 73.67 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.586 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.02 154.35 52.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.327 2.018 . . . . 0.0 111.758 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.39 -24.98 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.825 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.47 -47.89 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.866 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.27 -39.13 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.423 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.92 -42.74 94.58 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.73 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.15 75.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.842 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -73.81 -47.69 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.08 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 76' ' ' LEU . 81.6 mt -60.97 -48.45 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -59.54 -46.9 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.354 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.18 -33.06 71.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.508 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.6 mt -74.46 -39.52 62.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.525 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 p -77.79 -37.93 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.49 111.82 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.65 -52.71 6.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -116.07 -22.79 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.602 ' NE2' HG23 ' A' ' 66' ' ' THR . 43.2 mt-30 -96.85 -22.48 16.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 -166.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 68.11 13.98 9.2 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.2 28.77 0.02 OUTLIER Glycine 0 C--N 1.319 -0.396 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.228 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 59.5 mttp -148.73 161.07 42.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.57 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.4 mt -125.39 117.03 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.712 0.291 . . . . 0.0 110.858 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.602 HG23 ' NE2' ' A' ' 61' ' ' GLN . 23.0 p -74.69 -175.82 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.28 -41.53 85.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 109.794 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.735 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 35.2 mp0 -64.25 -42.92 96.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.771 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.08 -33.26 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 110.365 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.505 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 9.3 t80 -66.03 -45.45 81.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.579 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -57.31 -45.02 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.108 0.48 . . . . 0.0 110.499 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 65.3 tp -60.5 -45.42 93.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.458 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.13 -52.32 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.759 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.505 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 36.3 mtp -67.98 -26.91 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.826 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.9 t60 -69.31 -37.47 77.79 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.739 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 89.0 mt -67.19 -37.61 83.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.197 0.523 . . . . 0.0 109.608 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 40' ' ' LEU . 62.6 mt -61.77 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.832 175.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.14 -38.67 73.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.6 t -70.52 -45.46 74.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.834 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -65.77 -34.33 77.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -57.51 -40.41 78.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.267 0.627 . . . . 0.0 110.754 177.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -67.53 -29.88 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.017 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.21 9.11 26.34 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.509 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.407 ' HB2' HG12 ' A' ' 79' ' ' VAL . 15.6 mm100 -76.12 144.99 76.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.25 . . . . 0.0 110.618 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.9 Cg_exo -68.63 139.11 43.46 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.747 2.298 . . . . 0.0 111.94 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 80' ' ' ALA . 85.7 mt -87.1 144.88 37.0 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.876 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 46.1 Cg_endo -71.74 153.35 59.23 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.178 1.919 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.6 Cg_exo -78.94 -36.19 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.796 2.33 . . . . 0.0 110.791 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 26.9 m -114.28 161.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.683 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.497 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 15.5 tp -119.02 138.88 26.61 Favored Pre-proline 0 C--N 1.319 -0.725 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.814 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.2 Cg_exo -83.28 153.92 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.182 2.588 . . . . 0.0 112.369 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 24.3 Cg_exo -65.41 -13.29 39.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.333 2.689 . . . . 0.0 113.448 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.36 -14.57 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -95.11 -25.41 16.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 69.4 mt -70.95 129.71 89.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.735 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 52.6 Cg_exo -55.77 153.6 29.8 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.85 2.366 . . . . 0.0 112.904 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 50.4 Cg_exo -54.85 150.05 39.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.965 2.444 . . . . 0.0 112.034 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 m 75.41 -28.36 0.19 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.457 0.703 . . . . 0.0 111.542 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -91.4 -15.45 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.591 0.234 . . . . 0.0 110.417 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 . . . . . 0 N--CA 1.466 0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.32 -179.09 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 t90 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.81 41.65 0.28 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.98 125.08 24.78 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -51.22 148.9 17.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.992 2.461 . . . . 0.0 112.472 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.43 -37.84 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.675 -175.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -66.94 -40.43 87.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.004 0.431 . . . . 0.0 110.154 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -67.64 -43.51 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 10.8 ptp180 -63.89 -33.06 74.84 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.656 0.265 . . . . 0.0 110.7 -177.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 mt -71.12 -40.19 71.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.268 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.32 -47.46 83.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.42 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HD2' HG23 ' A' ' 71' ' ' ILE . 7.3 m-85 -80.61 -30.0 36.82 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.737 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HB2' HD11 ' A' ' 71' ' ' ILE . 49.3 ttp85 -67.19 -25.32 66.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.24 -12.96 60.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.597 177.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 22' ' ' SER . 10.3 tp -153.21 38.36 0.5 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.531 -171.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.39 -85.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 61.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -49.01 -38.28 22.97 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -152.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.54 ' HB3' HD12 ' A' ' 19' ' ' LEU . 36.3 t -65.4 -27.76 68.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.608 0.64 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -91.64 -17.41 25.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.354 . . . . 0.0 110.663 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.704 179.191 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.6 p-80 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 122.321 1.057 . . . . 0.0 113.487 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.12 141.78 44.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.657 172.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -84.67 177.8 7.91 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.201 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.667 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.46 -64.66 3.69 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.218 -177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -48.24 23.02 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.877 2.384 . . . . 0.0 112.728 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.72 -55.15 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.494 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.404 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.0 ttm180 -70.78 -29.75 66.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.483 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 52.7 m -62.59 -42.74 99.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.387 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.9 mt -61.68 -42.37 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.403 0.621 . . . . 0.0 109.579 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.9 mt -59.26 -44.71 92.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.247 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -67.66 -34.0 76.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.12 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 38' ' ' THR . 47.0 mt-30 -74.5 0.71 13.85 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -77.51 -80.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -171.38 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.803 0.335 . . . . 0.0 110.819 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 50.6 mt -61.42 144.79 91.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.322 -170.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 18.8 Cg_exo -65.94 161.63 38.72 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.819 3.012 . . . . 0.0 112.706 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -27.8 65.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.514 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.95 -51.31 64.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.454 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -65.36 -37.92 88.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.972 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 86.7 mt -59.77 -44.94 93.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.808 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.12 91.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.467 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.6 m -58.74 -49.34 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.149 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 77' ' ' ILE . 90.3 mt -66.06 -41.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.189 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.667 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 50.9 t-105 -61.13 -48.14 82.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.907 0.384 . . . . 0.0 110.349 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.13 -37.23 76.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.31 -29.13 61.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.787 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 73' ' ' ALA . 23.0 t -82.9 -48.78 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.051 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -79.57 104.53 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.181 0.515 . . . . 0.0 109.747 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.6 mm -71.0 -23.26 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.295 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 3.81 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 43.45 40.55 2.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.061 0.944 . . . . 0.0 111.339 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.36 -41.05 13.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.127 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.84 32.76 3.0 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -172.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 mtmp? -138.16 139.77 39.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.32 . . . . 0.0 110.616 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.3 mt -124.71 105.95 9.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.613 172.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 30' ' ' HIS . 53.3 p -79.56 -171.75 2.94 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.575 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -57.63 -52.48 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 111.226 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.655 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.89 -40.35 60.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.226 0.536 . . . . 0.0 110.085 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.539 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 28.5 t80 -67.35 -37.46 83.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.802 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 67' ' ' ALA . 82.3 mt -55.74 -44.17 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.099 0.476 . . . . 0.0 110.346 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.73 -47.09 87.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.328 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.96 -53.97 52.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.157 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.539 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 29.6 mtp -68.01 -24.78 65.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.692 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' VAL . 62.1 t60 -73.09 -34.41 66.18 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.81 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HB2' HG23 ' A' ' 53' ' ' ILE . 97.1 mt -65.7 -35.54 81.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 173.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 74' ' ' MET . 30.6 mm -56.84 -49.81 77.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 173.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.09 -39.58 78.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.3 t -63.37 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.659 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.5 -29.98 69.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 77' ' ' ILE . 19.3 mmt -60.33 -30.36 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 174.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -80.56 0.19 34.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.37 67.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -93.18 144.48 28.41 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 10.4 Cg_exo -71.97 134.73 24.02 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.939 2.426 . . . . 0.0 111.725 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.14 146.15 66.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.689 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.32 153.15 12.3 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.288 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.09 -7.47 8.1 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.567 2.178 . . . . 0.0 111.555 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.5 t -132.79 151.25 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.9 tp -104.28 140.15 20.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 11.1 Cg_exo -74.42 154.23 45.38 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.535 2.157 . . . . 0.0 111.692 174.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 95' ' ' ILE . 22.9 Cg_exo -64.62 -26.49 61.43 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.721 2.281 . . . . 0.0 112.126 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -66.67 -14.72 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.576 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -106.9 8.3 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.318 -0.238 . . . . 0.0 111.125 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 92' ' ' PRO . 66.3 mt -96.29 115.85 65.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 36.1 Cg_endo -65.34 154.45 73.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.654 2.236 . . . . 0.0 112.673 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 35.3 Cg_exo -60.38 159.83 25.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.796 2.331 . . . . 0.0 112.051 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 m 72.41 -50.19 0.7 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.69 0.619 . . . . 0.0 111.269 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -72.08 -5.87 38.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.311 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.103 176.234 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.401 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 10.3 t90 . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.785 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.03 117.0 12.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.877 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.527 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 55.0 Cg_exo -38.01 130.91 0.9 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.704 2.936 . . . . 0.0 113.348 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 1.9 tt0 -55.93 -29.93 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.126 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -56.84 -41.53 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.9 m -70.32 -43.49 70.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 14.8 ptt180 -77.17 -32.03 55.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.34 -37.55 87.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.159 0.504 . . . . 0.0 110.663 174.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 39.1 tttp -66.11 -44.14 85.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 63.5 t80 -71.42 -32.12 68.03 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.006 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 43.4 ttp180 -57.53 -24.39 55.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.137 177.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-30 -82.84 -13.27 56.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.585 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -157.4 42.7 0.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.535 0.734 . . . . 0.0 110.304 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.5 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 120.0 3.333 . . . . 0.0 120.0 57.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.48 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.7 t-20 -46.88 -46.13 20.91 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -151.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.2 m -62.19 -25.43 67.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.595 0.634 . . . . 0.0 112.137 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -96.88 -44.21 7.14 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.616 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.379 -174.093 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.673 ' HB3' HG22 ' A' ' 66' ' ' THR . 19.9 p-80 . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 70' ' ' PHE . 83.0 mt -100.67 165.86 11.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.9 p -87.58 165.68 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.416 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -49.85 -64.0 3.8 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.375 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -52.07 -45.73 37.04 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.602 2.201 . . . . 0.0 112.577 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.3 -53.19 61.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.621 0.248 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -57.64 -49.18 77.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.657 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 41' ' ' MET . 16.6 mtp180 -64.58 -34.35 78.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.807 -176.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 85.7 m -61.56 -43.02 99.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.491 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.68 -38.24 65.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.094 0.473 . . . . 0.0 110.094 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 74.6 mt -58.27 -41.94 85.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.682 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 92.5 mtp -69.78 -18.42 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 38' ' ' THR . 78.4 mm-40 -73.81 -1.61 20.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 p -79.74 -17.52 53.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.381 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 69.54 15.84 8.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.992 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.62 154.14 78.61 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.515 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.652 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 31.2 Cg_endo -65.09 145.49 84.95 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.144 1.896 . . . . 0.0 112.093 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -57.96 -28.7 64.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.566 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.63 88.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 38.6 mt-30 -73.25 -36.53 66.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.037 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.79 -43.53 98.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.85 89.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -66.62 -42.54 86.63 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 49' ' ' GLN . 82.8 mt -60.02 -47.36 92.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 56.1 t-105 -59.46 -49.89 76.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.461 HD22 ' HA ' ' A' ' 55' ' ' ASN . 1.9 t-20 -61.32 -31.4 71.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.288 -177.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -74.73 -38.59 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.466 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' 59' ' ' ILE . 71.0 p -77.85 -41.36 37.15 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -85.13 100.95 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' A' ' 99' ' ' PHE . 3.1 mp -73.16 -45.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.26 -26.71 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.335 -174.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 64.64 73.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.575 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -122.06 -24.34 5.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.151 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.75 32.33 2.92 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.29 -174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -142.28 170.61 15.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.574 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.5 mt -137.93 115.63 11.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.469 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.8 p -72.75 175.81 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.75 -45.0 93.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.135 0.493 . . . . 0.0 110.638 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 96' ' ' PRO . 16.0 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.328 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' HG2' HD13 ' A' ' 59' ' ' ILE . 49.2 mt-10 -75.46 -41.91 54.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.159 0.504 . . . . 0.0 111.432 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -65.8 -36.14 82.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 -177.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 67' ' ' ALA . 70.0 mt -55.71 -46.58 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.062 0.458 . . . . 0.0 109.931 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.9 tp -59.17 -43.75 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -50.96 71.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.342 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mtp -62.25 -33.93 75.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.527 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 81.0 t60 -69.17 -38.93 78.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.542 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.0 mt -64.66 -36.22 83.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.323 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.33 -49.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.823 176.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.0 -37.01 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 75' ' ' HIS . 84.7 t -67.31 -48.24 78.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 84' ' ' GLN . . . -62.08 -41.87 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 0.0 110.739 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -21.71 66.34 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.078 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 t -79.42 -4.35 50.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.787 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.46 0.51 55.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.074 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 15.8 mm100 -91.83 144.41 29.31 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-O 120.623 0.249 . . . . 0.0 110.535 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.38 174.29 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.578 2.185 . . . . 0.0 111.598 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 91.3 mt -96.58 143.08 25.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 6.5 Cg_exo -73.97 154.18 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.698 2.266 . . . . 0.0 112.169 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.21 -24.29 20.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.687 2.258 . . . . 0.0 111.696 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.13 147.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.402 177.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 19.0 tp -93.96 141.57 23.87 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.483 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.3 Cg_exo -76.35 152.86 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.409 2.072 . . . . 0.0 111.702 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.501 ' HA ' HD12 ' A' ' 95' ' ' ILE . 39.5 Cg_exo -58.21 -35.1 99.04 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.942 2.428 . . . . 0.0 112.497 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.43 -34.66 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.037 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -96.28 -2.45 45.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.555 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 92' ' ' PRO . 73.7 mt -79.45 124.03 84.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 27.5 Cg_endo -62.41 155.35 58.14 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.961 2.441 . . . . 0.0 112.369 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 22.2 Cg_exo -64.74 176.21 3.08 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.665 2.243 . . . . 0.0 111.892 177.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m 69.89 -59.28 0.51 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.207 0.603 . . . . 0.0 111.618 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.0 m-85 -84.71 17.59 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.65 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.007 0.432 . . . . 0.0 111.007 178.336 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.2 t90 . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.13 49.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.419 HG21 HG22 ' A' ' 71' ' ' ILE . 7.2 p -133.73 130.85 20.89 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 172.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.35 142.27 22.83 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.559 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 48.0 mt-30 -65.06 -35.8 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -60.01 -40.31 88.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 176.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -68.99 -45.33 70.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.768 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptp180 -67.77 -30.41 69.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.698 0.285 . . . . 0.0 110.804 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.94 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.681 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.561 ' HB2' HG12 ' A' ' 71' ' ' ILE . 59.3 m-85 -87.62 -2.88 58.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.918 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -76.53 -33.18 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 162.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 26.3 mt-30 -79.54 -12.64 59.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.92 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 22' ' ' SER . 15.4 tp -155.71 44.28 0.45 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.799 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.472 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 2.3 m-85 -37.92 -83.93 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 55.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 3.3 t-20 -46.64 -37.22 7.91 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -151.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' HD12 ' A' ' 19' ' ' LEU . 32.3 t -60.52 -24.05 65.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.438 0.563 . . . . 0.0 111.195 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -110.75 16.94 21.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 3.0 t70 . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.1 0.476 . . . . 0.0 111.558 -175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.537 ' HB3' HG22 ' A' ' 66' ' ' THR . 36.7 p-80 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 83.8 mt -95.14 157.18 16.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 p -90.44 169.6 10.92 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.618 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.55 -64.84 2.91 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.946 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -49.69 -45.04 33.41 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.705 2.27 . . . . 0.0 112.721 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.71 -54.98 40.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.865 0.364 . . . . 0.0 111.066 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.09 -47.55 84.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.15 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.11 -33.49 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.965 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.8 m -65.58 -41.67 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.57 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.79 -36.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.106 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 65.6 mt -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.683 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.15 -17.32 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.751 -175.287 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 38' ' ' THR . 93.0 mt-30 -63.02 -16.15 58.82 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.84 0.352 . . . . 0.0 111.484 -178.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.3 t -75.66 -6.36 50.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.921 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m 66.45 15.52 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.885 0.474 . . . . 0.0 111.668 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.72 151.21 67.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.04 135.87 44.5 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.902 2.402 . . . . 0.0 111.847 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.1 86.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.068 0.461 . . . . 0.0 109.93 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.46 -32.57 66.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.353 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 47' ' ' GLN . 91.6 mt -61.59 -44.01 97.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.38 177.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 67.1 m -60.62 -49.14 78.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.23 -42.83 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -57.46 -50.66 72.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.058 0.456 . . . . 0.0 109.932 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.35 -31.97 73.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.285 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 52' ' ' SER . 72.3 mt -70.09 -36.09 74.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.473 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -94.29 -20.76 19.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.564 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.3 123.89 20.78 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 111.445 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.62 -58.99 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.221 0.534 . . . . 0.0 109.575 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -165.68 39.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' OE1' ' HE2' ' A' ' 64' ' ' LYS . 15.5 mm-40 -86.93 -51.23 6.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.062 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 75.58 -35.42 0.27 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.292 0.995 . . . . 0.0 110.906 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.05 34.84 0.66 Allowed Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.284 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HE2' ' OE1' ' A' ' 61' ' ' GLN . 35.3 mtmm -146.47 161.22 40.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.544 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.3 mt -152.03 115.88 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.432 0.457 . . . . 0.0 109.813 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 30' ' ' HIS . 72.7 p -76.54 175.93 8.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -55.11 -51.59 65.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 111.584 -175.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.82 -29.63 68.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.708 -176.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.47 ' HB3' HD22 ' A' ' 65' ' ' LEU . 47.2 mt-10 -74.42 -43.85 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.232 0.539 . . . . 0.0 109.932 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.36 -41.97 85.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 16' ' ' TYR . 75.5 mt -59.9 -44.24 93.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.86 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 96' ' ' PRO . 57.6 tp -62.24 -49.12 76.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.1 85.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.534 ' O ' ' HB ' ' A' ' 77' ' ' ILE . 93.4 mmm -69.85 -28.34 65.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.327 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.51 -34.08 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.984 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.28 -29.49 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 74' ' ' MET . 31.2 mm -56.57 -48.61 80.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.304 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.8 -44.42 73.76 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.604 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.08 -51.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.753 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.21 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.29 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.4 ttt -63.99 -21.01 66.31 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.2 t -90.36 3.36 53.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.305 0.574 . . . . 0.0 110.267 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 19.49 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 16.3 mm100 -95.82 144.65 28.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.612 0.244 . . . . 0.0 110.99 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 5.1 Cg_exo -74.37 146.53 35.58 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.921 2.414 . . . . 0.0 111.862 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 84.7 mt -85.34 143.9 39.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.153 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.0 Cg_exo -70.28 153.08 66.86 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.535 2.157 . . . . 0.0 111.904 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.02 -22.96 16.56 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.579 2.186 . . . . 0.0 111.801 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.63 150.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.467 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 21.0 tp -99.91 141.25 22.42 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 15.9 Cg_exo -71.25 153.33 61.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.535 2.157 . . . . 0.0 111.888 174.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 23.7 Cg_exo -64.52 -29.74 61.57 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.929 2.419 . . . . 0.0 112.779 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.94 -13.8 61.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -91.24 -16.24 27.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.954 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.75 123.18 87.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.177 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.531 ' HD3' HD22 ' A' ' 72' ' ' LEU . 22.0 Cg_endo -61.57 154.42 59.86 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.762 2.308 . . . . 0.0 112.62 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.25 156.54 24.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.106 2.538 . . . . 0.0 112.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m 69.61 -53.78 0.6 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.375 0.67 . . . . 0.0 111.848 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -65.03 -9.51 22.51 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.691 0.397 . . . . 0.0 111.908 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.195 177.824 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.416 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 6.4 t90 . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 120.704 0.288 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.4 69.33 9.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.188 0.518 . . . . 0.0 112.016 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.33 129.14 14.28 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.01 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.83 136.11 22.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.327 2.685 . . . . 0.0 112.839 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.7 tt0 -59.68 -42.18 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.153 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -57.87 -34.14 69.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -71.69 -39.11 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.018 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -76.97 -32.29 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 0.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 73.6 mt -60.32 -42.61 95.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.295 171.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 45.4 tttp -58.4 -39.48 79.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.765 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.516 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 81.2 t80 -77.98 -32.79 51.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 120.216 -0.594 . . . . 0.0 112.139 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.7 ttp180 -58.0 -24.3 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.073 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 5.2 mt-30 -74.25 -14.13 60.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.199 -1.364 . . . . 0.0 112.4 176.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 tp -161.67 43.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.644 0.778 . . . . 0.0 109.912 -167.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -39.59 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 120.039 3.348 . . . . 0.0 120.039 57.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.7 t-20 -46.09 -43.57 14.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -151.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 m -67.48 -23.77 65.52 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -112.69 -5.76 13.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--N 1.325 -0.469 0 CA-C-O 121.248 0.547 . . . . 0.0 111.106 -176.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.657 ' HB3' HG22 ' A' ' 66' ' ' THR . 27.7 p-80 . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 120.891 0.377 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.4 mt -92.16 165.18 13.27 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.01 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.9 p -85.91 166.06 16.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.504 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.27 -63.75 3.81 Favored Glycine 0 N--CA 1.451 -0.332 0 O-C-N 123.639 0.587 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.13 -46.58 32.92 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.922 2.415 . . . . 0.0 113.061 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 35' ' ' GLN . 5.9 mt-30 -61.86 -43.1 99.53 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.674 0.215 . . . . 0.0 111.362 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.72 -48.13 80.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.317 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -64.57 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.4 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 80.2 m -59.28 -53.35 59.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.543 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.51 -36.55 77.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.413 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.9 mt -60.75 -45.1 95.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.516 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 86.6 mmm -67.62 -22.94 65.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 38' ' ' THR . 72.9 mm-40 -67.7 -18.6 64.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.025 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -69.43 -21.89 63.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.489 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.8 m 68.56 24.42 6.97 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.565 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 81' ' ' MET . 77.5 mt -81.02 164.11 52.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.818 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 12.4 Cg_endo -57.97 128.78 30.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.736 2.29 . . . . 0.0 112.497 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -34.23 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.691 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.68 86.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.003 0.43 . . . . 0.0 110.739 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -43.25 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.135 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.88 -39.46 81.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.398 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.02 94.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 t -70.2 -45.69 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.008 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.75 -42.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -59.46 -50.95 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.653 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.37 -38.02 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.554 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.54 -35.25 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.42 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -71.72 -48.04 49.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.024 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -73.54 111.15 8.41 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.0 -37.57 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.405 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 18.0 t70 -79.61 -28.68 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.092 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 78.7 mt-30 70.59 37.97 1.37 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.782 0.801 . . . . 0.0 109.366 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.07 -31.59 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.446 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.73 26.95 5.12 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.141 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -140.91 -178.29 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.5 mt -144.42 116.95 8.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.989 0.181 . . . . 0.0 110.663 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.657 HG22 ' HB3' ' A' ' 30' ' ' HIS . 67.4 p -72.25 174.19 7.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.75 -53.59 53.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 45.8 mt-10 -67.7 -29.01 68.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.039 -174.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.5 -42.99 61.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.538 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -63.01 -33.45 75.46 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.535 176.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 67' ' ' ALA . 63.2 mt -57.44 -47.82 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.059 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 66.7 tp -59.3 -43.92 92.57 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.182 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.05 -48.88 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 3.3 mmt -58.05 -39.31 78.13 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.907 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' VAL . 68.8 t60 -65.31 -41.48 94.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 87.3 mt -69.3 -38.19 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 73' ' ' ALA . 32.0 mm -58.45 -46.52 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.94 -42.84 99.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.913 0.387 . . . . 0.0 110.597 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 75' ' ' HIS . 75.7 t -61.86 -48.97 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.855 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.1 98.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.558 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.42 -36.09 77.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 177.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -72.74 -18.57 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.3 27.86 10.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.256 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.467 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 79.4 mt-30 -103.34 144.39 28.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.6 Cg_exo -69.43 149.88 69.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.993 2.462 . . . . 0.0 113.024 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -102.94 146.92 33.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.846 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.86 154.41 30.0 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.443 2.096 . . . . 0.0 112.319 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.41 -27.41 16.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.412 2.074 . . . . 0.0 111.765 176.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.22 147.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.566 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 16.8 tp -92.38 141.56 24.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.1 Cg_exo -77.11 153.43 32.09 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.741 2.294 . . . . 0.0 111.784 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 31.5 Cg_exo -60.15 -33.89 94.69 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.886 2.391 . . . . 0.0 112.483 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.85 -28.0 69.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.631 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -90.2 -4.39 57.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.444 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 48.6 mt -85.2 126.44 67.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 39.9 Cg_exo -57.22 153.19 41.1 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.931 2.421 . . . . 0.0 112.913 -176.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 35.8 Cg_exo -60.21 157.41 35.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.823 2.349 . . . . 0.0 111.91 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m 71.74 -54.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.163 0.585 . . . . 0.0 111.269 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -71.75 -26.21 62.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.258 176.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.9 t90 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.92 13.88 0.34 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.0 p -117.01 126.76 27.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 53.4 Cg_exo -53.98 143.46 61.13 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.106 2.537 . . . . 0.0 112.961 -176.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.9 pt20 -66.51 -29.76 69.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.534 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -64.07 -43.15 96.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.2 . . . . 0.0 110.862 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 p -72.03 -32.77 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.819 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 78.9 mtp180 -61.0 -45.54 94.42 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.258 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 82.1 mt -58.63 -40.85 84.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.394 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.39 -49.21 74.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.588 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HB2' HG12 ' A' ' 71' ' ' ILE . 20.6 m-85 -79.0 -20.38 49.23 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.522 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -66.21 -29.31 69.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 170.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.59 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.5 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.316 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.6 tp -156.76 40.53 0.34 Allowed 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.15 -172.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -37.01 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 59.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.59 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 27.6 t-20 -47.01 -45.92 21.51 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -153.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.494 ' HB2' HD12 ' A' ' 19' ' ' LEU . 25.4 m -59.89 -24.79 64.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 118.196 0.453 . . . . 0.0 111.758 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -93.19 -15.64 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 39.0 t70 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 121.382 0.611 . . . . 0.0 110.943 -176.684 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.606 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 . . . . . 0 CA--C 1.519 -0.243 0 CA-C-O 120.737 0.303 . . . . 0.0 110.334 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.4 mt -99.33 163.43 12.54 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.338 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -98.68 169.57 9.39 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.709 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.428 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -50.83 -65.83 2.81 Favored Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.63 0.581 . . . . 0.0 113.593 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 -39.96 88.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.912 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.49 -42.67 74.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.953 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.626 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.8 -45.41 92.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.009 0.433 . . . . 0.0 110.483 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -61.59 -29.95 70.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.914 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.9 m -61.5 -42.87 99.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.566 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.34 -40.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 86.5 mt -58.48 -36.43 73.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.169 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ttt -64.65 -21.87 66.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.594 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -76.03 3.44 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.748 0.309 . . . . 0.0 111.572 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 p -93.76 -11.59 31.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.289 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 m 63.35 23.84 13.94 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.436 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.9 149.8 60.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.12 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.93 146.92 96.96 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.914 2.409 . . . . 0.0 111.829 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -58.84 -33.95 71.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.938 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.88 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.081 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.54 -36.78 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.58 -44.62 96.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.015 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.69 87.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.394 . . . . 0.0 110.514 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 m -62.76 -49.56 74.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.797 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.536 HD13 HD12 ' A' ' 77' ' ' ILE . 88.3 mt -61.87 -42.04 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 178.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.428 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 51.9 t-105 -55.93 -54.08 49.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -66.47 -30.35 70.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.328 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -73.12 -28.37 62.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -93.69 -54.49 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.219 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 62' ' ' ASP . 8.5 t70 -63.21 117.48 6.63 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.45 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.72 -67.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.258 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.73 17.82 2.16 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 111.69 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.561 HE22 ' HG3' ' A' ' 69' ' ' GLU . 41.2 mt-30 -95.88 -42.53 8.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.693 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 19.8 t70 57.02 23.47 8.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.641 177.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.96 22.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.971 -1.109 . . . . 0.0 114.072 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -149.3 133.3 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.394 0.597 . . . . 0.0 109.771 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.626 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.7 mt -118.7 115.3 24.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.749 0.309 . . . . 0.0 110.227 175.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.3 p -88.32 -169.11 2.43 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.89 90.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.72 0.295 . . . . 0.0 110.514 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -65.42 -43.88 89.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.325 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG3' HE22 ' A' ' 61' ' ' GLN . 5.1 mm-40 -73.0 -43.04 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.616 -173.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 74' ' ' MET . 58.1 t80 -60.07 -45.01 94.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.966 -176.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 16' ' ' TYR . 74.3 mt -62.32 -40.48 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.745 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.6 -53.14 52.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.505 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.38 70.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.764 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 95.5 mmm -66.16 -27.95 68.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -175.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -71.07 -34.33 71.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 53' ' ' ILE . 95.5 mt -69.12 -35.49 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.801 175.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.536 HD12 HD13 ' A' ' 53' ' ' ILE . 1.4 mp -57.68 -42.69 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.462 175.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.8 -48.47 81.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.686 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.444 HG12 ' HB2' ' A' ' 84' ' ' GLN . 52.5 t -62.71 -46.4 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.46 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -64.63 -20.38 66.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.069 0.461 . . . . 0.0 111.055 177.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.416 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 8.8 t -87.28 5.75 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.25 26.71 69.77 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.335 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HB2' HG12 ' A' ' 79' ' ' VAL . 28.1 mm-40 -89.87 144.05 31.01 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.585 0.231 . . . . 0.0 110.553 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.4 Cg_exo -73.22 138.41 27.67 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.961 2.441 . . . . 0.0 111.842 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 94.8 mt -91.76 143.94 28.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.291 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.4 Cg_exo -75.44 154.31 40.35 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.01 2.474 . . . . 0.0 112.084 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.41 -37.14 74.07 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.4 m -136.25 142.36 38.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.898 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -82.74 142.37 45.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 16.5 Cg_exo -69.66 152.92 69.93 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.18 1.92 . . . . 0.0 111.842 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 24.7 Cg_exo -64.37 -19.13 65.19 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.08 2.52 . . . . 0.0 112.924 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.93 -24.74 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -94.48 -14.54 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 124.95 80.05 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 152.8 40.41 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.584 2.189 . . . . 0.0 112.686 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.05 143.73 99.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.874 2.382 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.8 m 73.51 -22.56 0.23 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.268 0.627 . . . . 0.0 111.994 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.25 5.73 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 110.051 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.685 -179.287 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t90 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.88 49.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -171.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.642 HG13 ' HD3' ' A' ' 13' ' ' ARG . 7.6 p -140.13 130.79 14.04 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.724 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.552 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.1 Cg_endo -50.04 129.41 24.88 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.477 2.785 . . . . 0.0 113.197 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.6 -39.94 74.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.521 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -55.48 -45.43 76.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -70.96 -34.04 71.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.642 ' HD3' HG13 ' A' ' 8' ' ' VAL . 20.1 mtm180 -62.6 -47.02 85.64 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -51.21 63.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -59.41 -41.78 90.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.19 -175.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.591 ' HD1' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -98.45 -2.0 40.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HG3' ' HB1' ' A' ' 67' ' ' ALA . 22.6 ttt180 -77.82 -27.74 50.09 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 162.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.56 -12.43 60.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 113.91 -1.495 . . . . 0.0 111.962 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 22' ' ' SER . 14.1 tp -158.67 44.68 0.28 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.686 -174.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -37.21 -80.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 58.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -47.26 -47.82 24.8 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -154.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.547 ' HB3' HD12 ' A' ' 19' ' ' LEU . 38.8 t -61.75 -23.23 66.03 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.035 -0.416 . . . . 0.0 111.995 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -92.73 1.65 57.16 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.515 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.516 ' HB3' HG22 ' A' ' 66' ' ' THR . 23.0 p-80 . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 120.942 0.401 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -106.05 147.51 28.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.7 p -97.34 179.02 5.03 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.537 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -44.62 -64.82 1.95 Allowed Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.751 0.657 . . . . 0.0 113.598 -178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.95 -47.52 22.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.553 2.169 . . . . 0.0 113.174 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.17 -44.39 92.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.586 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -64.63 -44.17 91.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.446 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -62.26 -30.42 71.1 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.527 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.1 m -61.04 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.743 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.16 -36.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.168 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.0 mt -59.58 -37.35 78.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.333 0.587 . . . . 0.0 110.64 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.73 -26.52 67.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.219 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.1 mm-40 -77.85 -9.27 58.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.0 t -75.29 -14.85 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.344 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m 69.85 21.3 6.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.325 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.99 149.61 40.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 51.7 Cg_endo -70.37 158.87 54.84 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.499 2.132 . . . . 0.0 112.221 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.46 -33.22 73.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.62 72.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.948 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.483 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.9 mm100 -73.49 -42.84 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.419 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 40' ' ' LEU . 77.5 mt -59.43 -41.57 89.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.682 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.83 92.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.935 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.8 t -63.15 -45.29 92.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.967 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.9 -45.7 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.744 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.537 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 52.0 t-105 -59.16 -50.3 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.722 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -36.18 76.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.194 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 mt -74.18 -38.88 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.819 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.3 t -74.54 -54.53 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.856 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -61.76 120.31 10.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.12 -35.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.922 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.38 -5.59 10.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.916 0.389 . . . . 0.0 111.452 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 67.56 32.77 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.524 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.57 -34.13 53.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.786 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.401 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 108.02 32.89 3.15 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -136.02 148.73 48.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 110.488 177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' HB1' ' A' ' 36' ' ' ALA . 26.7 mt -131.57 105.94 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.389 172.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 30' ' ' HIS . 45.0 p -73.13 -177.36 2.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB1' ' HG3' ' A' ' 17' ' ' ARG . . . -56.35 -52.83 63.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 111.46 -177.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 71' ' ' ILE . 45.8 mt-10 -69.22 -28.06 66.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.96 -177.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.16 -36.37 64.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 0.0 109.826 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' HE1' ' HD1' ' A' ' 16' ' ' TYR . 47.0 t80 -59.03 -40.69 85.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.869 174.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 68' ' ' GLU . 72.2 mt -60.12 -46.09 94.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.446 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.84 -47.18 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.721 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.92 87.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.018 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.9 mmt -64.84 -32.89 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.423 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.491 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.1 t60 -66.25 -37.79 86.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.71 -38.47 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.142 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.13 -44.63 98.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.77 -44.61 86.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.988 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 75' ' ' HIS . 73.4 t -62.52 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.662 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.07 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.389 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -35.2 78.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.34 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -84.68 10.43 11.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.083 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.01 77.75 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.152 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.431 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . 28.0 mm-40 -92.65 144.43 28.66 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 146.21 37.98 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 113.269 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.92 143.34 26.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.004 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.7 Cg_endo -79.76 155.93 24.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.797 2.332 . . . . 0.0 112.742 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -75.35 -33.51 4.2 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.763 2.308 . . . . 0.0 111.062 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 t -124.36 149.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 17.8 tp -101.53 139.94 20.82 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.495 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.1 Cg_exo -79.54 152.95 23.34 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.706 2.271 . . . . 0.0 111.535 176.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.53 -29.24 77.79 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.313 2.675 . . . . 0.0 113.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.876 0.369 . . . . 0.0 110.818 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.86 -14.74 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 91' ' ' PRO . 59.9 mt -77.17 128.08 81.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 45.3 Cg_exo -56.86 152.59 41.98 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.39 2.06 . . . . 0.0 111.969 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 13.5 Cg_exo -69.41 158.66 56.61 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.873 2.382 . . . . 0.0 112.076 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m 73.02 -54.32 0.7 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.781 0.675 . . . . 0.0 111.921 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -60.2 -15.39 23.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.636 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.541 -177.782 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t90 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -59.81 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -168.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 13' ' ' ARG . 7.7 p -63.11 120.9 65.55 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.641 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.22 134.49 44.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.014 2.476 . . . . 0.0 112.611 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 15.3 pt20 -51.58 -47.79 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.274 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -59.69 -43.6 93.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.777 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 17.3 m -70.54 -41.42 72.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptt180 -72.96 -30.83 64.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.169 -174.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -66.39 -36.18 82.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 110.278 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' SER . 80.9 tttt -60.22 -47.08 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.03 175.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.525 ' HD2' HG23 ' A' ' 71' ' ' ILE . 5.3 m-85 -74.79 -27.9 60.5 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.176 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.613 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -65.07 -27.32 68.69 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -78.55 -13.22 59.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.266 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 22' ' ' SER . 8.5 tp -153.82 38.58 0.47 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.79 -173.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 19.4 t80 -34.77 -79.33 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 61.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 2.1 t-20 -47.24 -47.76 24.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -154.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.599 ' HB3' HD12 ' A' ' 19' ' ' LEU . 24.1 t -64.28 -24.43 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -92.0 -11.49 35.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.691 0.281 . . . . 0.0 110.964 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.075 0.464 . . . . 0.0 110.396 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.69 ' HB3' HG22 ' A' ' 66' ' ' THR . 17.8 p-80 . . . . . 0 CA--C 1.515 -0.392 0 CA-C-O 120.718 0.294 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 85.3 mt -97.22 146.4 25.14 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -73.83 165.63 24.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.697 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 34' ' ' PRO . . . -47.61 -62.9 3.75 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.521 174.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 33' ' ' GLY . 10.2 Cg_endo -51.32 -46.45 31.29 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.903 2.402 . . . . 0.0 112.803 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.64 -52.35 66.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -56.82 -47.22 80.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.821 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' MET . 23.9 mtm180 -67.92 -37.28 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.891 -177.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 89.8 m -62.11 -41.35 98.13 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.04 -38.42 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.266 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 58.6 mt -60.31 -43.73 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 93.6 mmm -61.12 -24.41 66.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.487 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 38' ' ' THR . 15.3 mm-40 -70.08 -10.25 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.712 -176.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -77.01 -16.3 59.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 110.214 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m 68.22 13.3 9.04 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.064 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.91 148.14 63.83 Favored Pre-proline 0 N--CA 1.454 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.127 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 31.8 Cg_endo -65.62 156.04 65.88 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.688 2.259 . . . . 0.0 112.761 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -30.77 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.114 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.539 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.7 mm100 -73.72 -45.0 54.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.02 177.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.96 -45.24 90.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.791 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.65 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.28 -47.31 77.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.466 HG23 HD12 ' A' ' 76' ' ' LEU . 87.3 mt -62.84 -42.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -60.27 -50.19 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.6 -33.89 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.195 0.522 . . . . 0.0 110.538 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 90' ' ' LEU . 80.3 mt -73.3 -37.93 66.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.375 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.516 ' HA ' HD23 ' A' ' 72' ' ' LEU . 23.0 t -79.26 -42.76 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.882 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -81.98 99.31 9.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 99' ' ' PHE . 4.2 mp -74.88 -26.19 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.501 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -117.56 5.6 12.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 46.72 45.76 14.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.317 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.72 -19.83 30.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.58 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.33 17.83 58.25 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.722 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -137.27 151.62 48.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.563 HD12 ' HB1' ' A' ' 36' ' ' ALA . 24.9 mt -122.87 109.33 14.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.623 0.249 . . . . 0.0 110.88 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 30' ' ' HIS . 45.3 p -71.35 -174.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.77 -53.7 54.95 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.783 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.14 -36.82 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.444 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -72.01 -43.51 64.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.945 0.403 . . . . 0.0 110.216 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.644 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 52.7 t80 -63.81 -37.18 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.525 HG23 ' HD2' ' A' ' 16' ' ' TYR . 58.3 mt -55.82 -45.93 79.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.617 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 57' ' ' SER . 65.4 tp -61.57 -48.08 82.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.876 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.72 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.644 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 2.0 mmt -63.28 -33.13 74.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.348 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' O ' HG23 ' A' ' 79' ' ' VAL . 74.6 t60 -69.14 -39.89 78.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.114 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.466 HD12 HG23 ' A' ' 53' ' ' ILE . 99.1 mt -64.07 -36.19 83.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.164 176.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -60.66 -50.8 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.41 -43.84 84.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.919 0.39 . . . . 0.0 110.582 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 84' ' ' GLN . 95.9 t -63.05 -47.98 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.126 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -66.08 -27.87 68.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 111.072 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.4 mmm -67.86 -23.33 65.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.267 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -87.48 -0.27 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.195 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.4 7.69 63.32 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.031 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -75.92 144.02 75.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.731 0.265 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.1 Cg_exo -74.17 133.9 18.56 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.682 2.255 . . . . 0.0 112.066 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 80' ' ' ALA . 91.9 mt -81.43 143.41 51.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.8 Cg_endo -82.8 154.03 15.17 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.527 2.151 . . . . 0.0 112.258 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.7 Cg_exo -75.19 -30.54 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.99 151.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.002 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.416 ' HB2' HD22 ' A' ' 56' ' ' LEU . 21.1 tp -99.28 142.25 24.28 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 11.8 Cg_exo -72.87 153.3 53.04 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.596 2.197 . . . . 0.0 111.784 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HA ' HD12 ' A' ' 95' ' ' ILE . 27.6 Cg_exo -62.52 -27.4 76.77 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.046 2.497 . . . . 0.0 113.059 -175.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 42.5 mp0 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.24 -4.72 51.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.164 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 92' ' ' PRO . 69.4 mt -86.38 125.68 66.93 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.58 154.54 64.28 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.887 2.391 . . . . 0.0 112.088 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.15 157.5 44.3 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.693 2.262 . . . . 0.0 112.124 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 m 75.01 -27.83 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.573 0.749 . . . . 0.0 111.654 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 59' ' ' ILE . 94.9 m-85 -91.24 -0.52 57.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.241 175.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.952 -179.594 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t90 . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.14 29.69 0.09 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -122.57 132.53 24.25 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 50.7 Cg_exo -53.76 146.96 42.66 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.998 2.465 . . . . 0.0 112.473 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 48.7 tt0 -62.54 -42.7 99.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -59.66 -38.02 80.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 110.193 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.87 -38.6 70.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.589 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 28.9 mtp180 -55.3 -50.83 68.56 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.64 -39.61 91.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.188 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.98 -48.0 83.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.118 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.536 ' HB2' HG23 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.01 -25.48 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.221 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -69.72 -24.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.8 mt-30 -72.35 -14.01 61.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.814 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.574 ' O ' ' HE2' ' A' ' 70' ' ' PHE . 8.4 tp -155.46 43.79 0.45 Allowed 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.288 -170.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -40.19 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 120.507 3.521 . . . . 0.0 120.507 58.483 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.2 t-20 -46.47 -36.68 6.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -150.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' HD12 ' A' ' 19' ' ' LEU . 46.2 m -57.99 -24.28 57.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.006 0.821 . . . . 0.0 111.787 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -102.43 -12.64 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.455 ' HB2' ' HD2' ' A' ' 20' ' ' PHE . 23.8 t70 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.697 -177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.615 ' HB3' HG22 ' A' ' 66' ' ' THR . 4.1 p-80 . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 120.813 0.339 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 20' ' ' PHE . 91.7 mt -103.53 160.72 14.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.88 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -86.32 174.52 8.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.767 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.82 -64.13 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.39 -41.59 71.83 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.762 2.308 . . . . 0.0 112.789 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -55.62 -53.54 55.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -59.83 -50.49 73.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.779 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -62.91 -34.73 78.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.5 m -66.02 -47.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.627 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.04 -38.25 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.167 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 57.8 mt -55.43 -45.7 76.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.306 177.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.02 -28.16 62.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.454 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 38' ' ' THR . 74.0 mt-30 -80.07 7.57 8.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.7 m -80.4 -86.22 0.08 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.89 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -175.46 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.119 0.568 . . . . 0.0 111.231 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -105.97 145.7 31.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.131 -0.356 . . . . 0.0 111.738 -169.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 83.8 Cg_endo -79.07 171.02 16.98 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.93 2.42 . . . . 0.0 112.349 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.55 -31.53 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.795 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.39 80.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -72.8 -39.23 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.48 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 79.4 mt -58.57 -41.04 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.09 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.001 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -67.89 -42.73 80.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.45 HD13 HD13 ' A' ' 77' ' ' ILE . 82.8 mt -66.07 -42.65 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.747 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.9 -47.88 82.98 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -52.16 -41.64 62.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.315 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.5 mt -73.89 -41.53 62.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.939 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -77.72 -36.57 50.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.35 85.14 2.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.256 0.551 . . . . 0.0 109.554 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' A' ' 99' ' ' PHE . 36.9 mm -72.28 -45.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.952 -172.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.17 11.35 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.003 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 43.99 38.17 2.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.969 0.908 . . . . 0.0 112.05 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -110.93 -7.95 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.307 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.31 27.5 55.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.845 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -137.09 127.3 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.582 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.0 mt -101.74 113.11 26.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 -177.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.615 HG22 ' HB3' ' A' ' 30' ' ' HIS . 67.7 p -75.02 176.1 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.781 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.27 -53.28 55.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.607 0.241 . . . . 0.0 111.395 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.59 -35.8 78.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.66 -43.14 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.235 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HE2' ' O ' ' A' ' 19' ' ' LEU . 65.2 t80 -64.54 -39.57 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.559 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 16' ' ' TYR . 89.7 mt -60.34 -43.08 92.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.061 0.457 . . . . 0.0 110.111 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' A' ' 90' ' ' LEU . 63.8 tp -61.54 -46.46 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.257 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.06 -47.83 81.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.332 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 30.8 mmt -59.18 -37.6 77.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.909 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.469 ' O ' HG23 ' A' ' 79' ' ' VAL . 80.3 t60 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.329 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -65.04 -36.07 83.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 176.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' A' ' 81' ' ' MET . 27.3 mm -56.52 -51.07 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.726 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.06 -38.37 90.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 75' ' ' HIS . 91.9 t -63.03 -49.41 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.649 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.846 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.514 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.53 -28.68 69.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.465 175.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -79.86 -11.38 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.177 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.95 6.65 55.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.774 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HB2' HG12 ' A' ' 79' ' ' VAL . 15.2 mm100 -82.92 143.58 46.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.591 0.234 . . . . 0.0 110.758 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.33 150.1 22.21 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.474 2.116 . . . . 0.0 112.248 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.502 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 77.2 mt -110.54 143.45 28.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.472 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.5 Cg_exo -75.63 154.48 39.6 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.043 2.495 . . . . 0.0 112.134 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.21 -29.91 21.02 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 111.597 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.4 136.82 54.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.536 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.449 ' CD2' HD21 ' A' ' 72' ' ' LEU . 22.0 tp -92.8 141.2 24.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.519 ' O ' HG13 ' A' ' 95' ' ' ILE . 25.6 Cg_exo -65.53 152.66 81.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.451 2.101 . . . . 0.0 111.951 174.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 17.2 Cg_exo -67.49 -22.84 44.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.874 2.382 . . . . 0.0 112.773 -175.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.92 -14.56 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.89 -19.87 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 91' ' ' PRO . 37.6 mt -83.26 123.81 76.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.061 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.3 Cg_endo -60.68 153.17 63.9 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.296 1.998 . . . . 0.0 111.905 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 27.8 Cg_exo -62.55 152.86 75.17 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.91 2.407 . . . . 0.0 112.094 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 m 73.3 -40.84 0.48 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 123.918 0.761 . . . . 0.0 111.742 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.583 ' HB3' HG21 ' A' ' 59' ' ' ILE . 88.5 m-85 -67.04 -19.38 65.67 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 110.831 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.095 176.523 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 t90 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.12 4.82 11.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.16 125.55 74.36 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.29 149.34 37.57 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.677 2.251 . . . . 0.0 112.75 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.71 -37.15 83.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.167 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -63.91 -42.69 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.527 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -62.78 -44.47 96.1 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.71 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -54.26 -54.23 42.86 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.41 -37.35 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.536 0.522 . . . . 0.0 111.591 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -49.44 76.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.039 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.07 -15.92 27.12 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.192 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 17' ' ' ARG . 23.6 ttt85 -68.84 -25.64 64.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -73.44 -14.8 61.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.27 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.4 tp -156.85 40.13 0.33 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.354 -169.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.94 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 119.423 3.12 . . . . 0.0 119.423 60.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.08 -42.64 29.3 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.496 ' HB2' HD12 ' A' ' 19' ' ' LEU . 28.3 m -61.67 -30.95 71.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.379 0.536 . . . . 0.0 111.662 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -89.64 -26.67 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.052 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 121.283 0.563 . . . . 0.0 111.122 -176.69 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.616 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.1 p-80 . . . . . 0 N--CA 1.478 0.962 0 CA-C-O 121.891 0.853 . . . . 0.0 112.836 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -106.88 160.27 15.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.69 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.6 p -87.37 168.91 12.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.107 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.92 -63.63 4.62 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.132 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.75 -45.75 30.46 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.8 2.333 . . . . 0.0 113.054 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.77 -48.4 80.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 110.833 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.631 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -57.8 -48.35 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.673 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 41' ' ' MET . 87.0 mtt180 -64.18 -36.35 83.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.541 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.4 m -63.42 -45.92 88.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.37 -33.68 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.276 0.56 . . . . 0.0 110.06 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 59.1 mt -59.08 -41.55 88.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.062 175.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 67.7 mtt -66.71 -21.42 66.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.832 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.54 -14.8 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.439 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.3 p -85.71 -15.77 41.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.381 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 64.98 16.6 10.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.472 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.38 151.92 87.73 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.888 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.8 142.21 83.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.056 2.504 . . . . 0.0 112.257 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -32.01 68.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.621 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.12 71.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.9 mm100 -59.83 -47.0 87.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.308 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.43 -41.98 86.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.538 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.68 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.855 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.94 -44.29 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.822 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.714 HD13 HD12 ' A' ' 77' ' ' ILE . 95.7 mt -61.27 -46.07 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.836 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -60.25 -49.69 76.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.41 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.05 -36.38 72.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.714 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 90' ' ' LEU . 55.5 mt -74.22 -39.08 63.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.862 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -77.43 -39.66 46.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.754 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.749 ' OD2' ' HA ' ' A' ' 61' ' ' GLN . 16.6 t70 -68.75 103.26 1.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.52 -65.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.788 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -113.22 21.25 15.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.324 0.583 . . . . 0.0 110.963 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.749 ' HA ' ' OD2' ' A' ' 58' ' ' ASP . 69.8 mt-30 68.39 85.9 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.382 177.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -133.42 -26.93 1.6 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.233 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.44 24.87 66.96 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.936 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -138.03 128.68 26.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 mt -94.6 115.29 27.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.896 0.379 . . . . 0.0 110.991 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 30' ' ' HIS . 81.5 p -76.29 -170.32 1.43 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.069 173.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.44 -53.45 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.15 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -34.46 78.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.59 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.41 -41.1 63.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.936 0.398 . . . . 0.0 110.091 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.65 -40.96 98.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.472 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.15 -44.43 91.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.08 -49.57 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.698 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.97 51.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.942 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.435 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 11.9 mtp -68.85 -19.85 64.27 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.68 -177.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.52 -38.09 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.52 HD12 HG23 ' A' ' 53' ' ' ILE . 97.6 mt -64.53 -41.66 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.595 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 53' ' ' ILE . 1.6 mp -59.9 -44.06 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 173.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.69 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.79 -44.67 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.797 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -59.92 -17.56 38.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.246 176.009 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 m -84.5 -1.81 56.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.405 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.82 -7.6 59.24 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.279 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -92.74 144.32 28.42 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-O 120.727 0.298 . . . . 0.0 111.308 -177.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 6.4 Cg_exo -74.85 174.53 12.58 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.103 2.535 . . . . 0.0 112.525 178.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.6 mt -120.55 154.58 56.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.916 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 31.4 Cg_exo -61.76 153.88 64.6 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.138 2.559 . . . . 0.0 112.488 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.87 -31.81 23.98 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.684 2.256 . . . . 0.0 112.407 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.08 152.04 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.76 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB2' HD22 ' A' ' 56' ' ' LEU . 19.2 tp -83.71 140.78 41.04 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.4 Cg_exo -76.73 154.81 34.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.765 2.31 . . . . 0.0 112.136 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.86 -21.3 71.97 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.91 2.407 . . . . 0.0 112.749 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.18 -15.05 61.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -108.75 10.45 26.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.275 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.6 HG22 ' HB3' ' A' ' 100' ' ' ARG . 47.2 mt -89.25 117.77 68.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.83 151.34 84.67 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.586 2.19 . . . . 0.0 112.492 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.95 -36.09 32.09 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 111.561 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.0 m -73.24 0.77 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.73 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.07 -36.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.6 ' HB3' HG22 ' A' ' 95' ' ' ILE . 12.4 ptm180 . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.66 0.267 . . . . 0.0 110.929 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.405 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 20.2 t90 . . . . . 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.46 65.68 7.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.63 124.55 24.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.119 167.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.6 135.82 48.75 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 112.393 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 7.0 tt0 -56.37 -48.67 76.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -176.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -60.26 -35.42 75.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -75.19 -45.89 37.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.2 ptm180 -67.35 -31.73 72.17 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 -175.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.7 -39.33 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.04 -39.53 90.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' HD2' HG23 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.952 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.56 ' HB2' HD11 ' A' ' 71' ' ' ILE . 20.6 ttt180 -63.78 -24.36 67.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 5.0 mt-30 -72.42 -14.08 61.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.024 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 22' ' ' SER . 12.6 tp -155.61 38.46 0.38 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.292 -172.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -35.62 -81.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 119.738 3.236 . . . . 0.0 119.738 61.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.583 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 26.5 t-20 -47.44 -40.9 19.18 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -154.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.534 ' HB2' HD12 ' A' ' 19' ' ' LEU . 45.1 m -61.42 -23.35 65.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.389 0.54 . . . . 0.0 111.757 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -94.8 -2.75 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.087 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.852 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.556 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.2 p-80 . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 122.473 1.13 . . . . 0.0 113.914 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.7 145.12 37.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.491 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 p -85.47 166.29 16.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.336 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.55 -63.22 2.85 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.694 -0.684 . . . . 0.0 113.686 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.38 -47.43 22.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.724 2.282 . . . . 0.0 113.031 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.56 -46.8 88.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.026 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.21 -47.61 82.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 177.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.501 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.1 m -61.84 -40.63 95.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.412 HG21 ' HZ ' ' A' ' 70' ' ' PHE . 60.4 mt -74.44 -34.6 36.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.413 . . . . 0.0 110.434 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 71.9 mt -60.13 -40.35 89.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.674 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.18 -18.83 64.86 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.874 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -69.83 -12.23 61.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.262 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.2 p -75.41 -21.06 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t 67.63 16.23 9.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -85.93 156.83 57.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.52 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 20.0 Cg_endo -61.74 147.87 94.34 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.853 2.369 . . . . 0.0 112.681 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -58.0 -31.04 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.974 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.619 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.1 mm100 -73.5 -42.3 62.01 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.096 178.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.98 -47.79 83.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.379 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.67 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -63.85 -40.84 97.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.17 -43.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.174 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -59.21 -49.59 77.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.119 0.485 . . . . 0.0 110.361 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.19 -35.87 74.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.904 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.7 mt -75.14 -30.87 60.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.737 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -68.32 -50.99 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.597 -173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -92.77 119.46 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.201 0.524 . . . . 0.0 109.858 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 59' ' ' ILE . 3.4 mp -71.88 -34.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.251 -175.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -108.87 -13.53 14.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.58 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 66.28 54.31 0.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.151 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -89.93 -22.88 21.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.27 1.83 44.51 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.474 -0.87 . . . . 0.0 114.21 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 8.9 mptt -117.84 138.05 52.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.702 0.751 . . . . 0.0 110.22 178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 69' ' ' GLU . 18.8 mt -112.23 106.69 15.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.213 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 30' ' ' HIS . 17.5 p -83.77 -163.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.33 -53.18 61.24 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.04 -38.86 92.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.575 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HB3' HD22 ' A' ' 65' ' ' LEU . 2.0 mp0 -73.45 -41.91 62.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.961 0.41 . . . . 0.0 110.478 -175.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 56.9 t80 -68.91 -39.88 79.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.742 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 17' ' ' ARG . 61.5 mt -58.92 -38.61 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.431 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.2 tp -61.13 -50.63 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.277 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.18 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -60.11 -38.15 82.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -69.79 -34.67 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.202 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -67.94 -39.82 83.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 81' ' ' MET . 30.5 mm -58.82 -44.43 90.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.195 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.73 -41.29 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.028 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.58 -43.73 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.978 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.46 76.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -58.66 -26.22 63.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 111.257 178.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.449 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 22.8 t -75.46 -13.21 60.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.688 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.69 21.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.532 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 14.4 mm100 -93.79 144.51 28.28 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 120.606 0.241 . . . . 0.0 110.783 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.7 Cg_exo -69.21 151.75 72.19 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.985 2.457 . . . . 0.0 112.152 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.45 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.4 mt -94.85 144.33 27.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.082 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 8.3 Cg_exo -72.37 153.68 55.86 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.67 2.246 . . . . 0.0 111.965 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.86 -39.09 15.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.697 2.265 . . . . 0.0 111.77 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.83 157.47 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.526 176.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.17 140.81 49.5 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 4.8 Cg_exo -78.17 153.71 28.39 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.535 2.157 . . . . 0.0 111.959 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' A' ' 95' ' ' ILE . 51.9 Cg_exo -57.19 -28.08 77.67 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.989 2.459 . . . . 0.0 112.286 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.18 -40.94 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.936 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -95.77 13.28 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.437 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 92' ' ' PRO . 68.2 mt -86.61 113.18 51.53 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 8.1 Cg_exo -72.5 155.88 54.65 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.138 2.559 . . . . 0.0 112.547 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 99' ' ' PHE . 32.5 Cg_exo -58.92 159.86 20.08 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 0.0 111.84 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 m 71.71 -14.14 0.52 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.162 0.585 . . . . 0.0 111.63 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 97' ' ' PRO . 87.3 m-85 -123.07 18.08 10.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.512 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 . . . . . 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.395 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 7.0 t90 . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 121.335 0.588 . . . . 0.0 110.062 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.87 59.08 2.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.208 -168.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.615 170.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.68 137.63 20.56 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.081 2.521 . . . . 0.0 112.993 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.19 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.041 -175.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 p -62.19 -39.79 93.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.951 0.405 . . . . 0.0 110.311 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m -69.98 -41.9 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.929 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -55.75 -53.0 62.0 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.614 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.34 -45.79 83.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.727 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.67 -46.92 70.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.54 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.55 -6.99 59.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.203 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -75.91 -37.24 58.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -77.18 -14.41 59.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 22' ' ' SER . 6.4 tp -157.01 44.26 0.37 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.538 -170.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.675 ' CE2' ' HG ' ' A' ' 31' ' ' LEU . 8.0 t80 -39.32 -88.33 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 58.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.414 ' HA ' ' HD1' ' A' ' 20' ' ' PHE . 1.3 t-20 -51.67 -37.11 49.1 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -149.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 19' ' ' LEU . 20.3 t -63.35 -23.57 67.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.527 0.603 . . . . 0.0 110.995 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -73.35 -9.89 59.17 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.285 . . . . 0.0 110.92 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.258 -178.479 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.6 ' HB3' HG22 ' A' ' 66' ' ' THR . 5.4 p-80 . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 121.56 0.695 . . . . 0.0 111.978 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.675 ' HG ' ' CE2' ' A' ' 20' ' ' PHE . 79.9 mt -110.04 160.74 16.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.68 172.33 8.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.34 3.63 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.017 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -52.86 -47.38 27.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.12 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.329 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.56 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.46 -47.26 84.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.512 . . . . 0.0 111.0 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -68.26 -28.61 67.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.972 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 93.8 m -64.73 -45.04 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 0.0 110.21 176.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.49 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.191 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.4 mt -59.75 -40.45 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.93 -23.36 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.358 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -66.66 -17.63 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 111.477 -177.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -79.17 -8.12 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.52 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 m 60.05 27.11 16.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.85 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.71 150.17 72.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.36 143.92 41.92 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.778 2.319 . . . . 0.0 112.007 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.94 -38.06 72.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.31 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.269 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.73 -42.25 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.366 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.95 -44.18 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.376 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.09 96.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 t -65.68 -48.56 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.236 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.419 HD13 HD12 ' A' ' 77' ' ' ILE . 91.1 mt -59.03 -46.06 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.691 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -58.39 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.368 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.1 -33.59 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.932 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.51 -38.3 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.136 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -91.1 -1.07 57.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.31 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.1 96.27 8.0 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.1 mp -96.46 -41.76 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.473 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.89 -18.78 46.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.697 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 65.5 24.45 11.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.421 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.28 -14.22 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.5 32.73 21.5 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.821 175.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.73 131.77 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.56 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.8 mt -103.34 117.7 35.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.94 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 30' ' ' HIS . 41.3 p -72.31 -172.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.566 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.97 -47.94 72.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.959 0.409 . . . . 0.0 110.23 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.48 -43.21 93.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.919 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.544 ' HB3' HD22 ' A' ' 65' ' ' LEU . 36.7 mt-10 -69.22 -33.79 73.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.44 -47.41 84.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 67' ' ' ALA . 71.8 mt -59.57 -45.5 93.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.346 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.17 -48.47 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.25 66.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.3 mtp -68.87 -21.23 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.347 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.545 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.2 t60 -68.62 -34.09 75.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.416 HD12 HG23 ' A' ' 53' ' ' ILE . 96.7 mt -67.34 -37.76 83.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.116 175.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 53' ' ' ILE . 1.9 mp -64.64 -42.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.48 -39.47 73.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.78 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 75' ' ' HIS . 88.0 t -67.0 -50.63 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.899 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.01 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.421 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.9 67.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.37 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 t -85.37 -2.38 58.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.346 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.56 9.78 61.11 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.427 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.425 ' HB2' HG12 ' A' ' 79' ' ' VAL . 13.6 mm100 -90.58 146.46 34.34 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.567 0.222 . . . . 0.0 110.874 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -79.67 178.49 7.26 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.242 . . . . 0.0 112.415 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.2 mt -112.38 144.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.1 Cg_exo -80.19 153.37 21.57 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.056 2.504 . . . . 0.0 111.839 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -74.65 -41.4 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 111.423 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 t -113.82 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.2 tp -108.6 141.74 23.93 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 12.4 Cg_exo -72.42 151.7 53.93 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.225 1.95 . . . . 0.0 112.227 177.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 34.5 Cg_exo -62.11 -22.67 74.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.339 2.693 . . . . 0.0 113.077 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.2 mp0 -66.59 -19.91 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.6 0.238 . . . . 0.0 111.161 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -95.87 3.37 53.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.2 mt -98.29 120.23 60.02 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 154.4 37.44 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.753 2.302 . . . . 0.0 112.742 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.84 -30.38 85.05 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.448 2.766 . . . . 0.0 112.691 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 m -58.46 -26.07 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.297 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -111.58 25.08 12.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.601 ' HA ' ' NE ' ' A' ' 100' ' ' ARG . 2.3 mmp_? . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.505 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 6.1 t90 . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.75 49.27 0.62 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.158 -168.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.2 p -123.96 125.73 25.78 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 74.6 Cg_exo -52.23 145.65 34.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.261 2.641 . . . . 0.0 113.279 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.45 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.197 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 m -59.74 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.909 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -67.68 -43.48 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.83 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 90.8 mtt180 -55.99 -51.9 66.11 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.564 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.64 -45.95 91.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.748 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -63.05 -45.5 91.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.369 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.91 -9.34 57.08 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -75.41 -31.85 60.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -78.8 -13.69 59.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.592 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 22' ' ' SER . 6.8 tp -156.18 42.6 0.39 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.153 -171.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -38.39 -85.23 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 57.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -48.2 -31.35 5.66 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -150.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.551 ' HB2' HD12 ' A' ' 19' ' ' LEU . 44.3 m -60.14 -24.56 64.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.991 0.814 . . . . 0.0 110.831 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -102.12 4.52 39.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -176.322 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.617 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.2 p-80 . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 122.119 0.962 . . . . 0.0 113.525 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 166.1 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.111 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -88.86 171.04 10.21 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.21 3.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.448 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.52 -42.2 68.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.629 2.219 . . . . 0.0 113.091 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.62 -46.76 84.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.644 0.259 . . . . 0.0 110.716 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.23 -48.91 78.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.366 176.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -64.97 -33.78 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.708 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.3 m -65.56 -42.18 92.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.694 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.58 -42.94 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 110.075 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 54.5 mt -57.81 -42.77 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.788 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 ttp -68.96 -18.17 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.607 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 38' ' ' THR . 82.7 mm-40 -69.74 -6.4 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 111.269 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -72.55 -10.21 59.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m 67.71 20.81 9.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.978 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.47 151.51 56.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' OE1' ' A' ' 49' ' ' GLN . 34.2 Cg_exo -60.05 146.91 94.95 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.637 2.225 . . . . 0.0 111.681 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.1 -27.27 63.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.678 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.11 -51.23 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' O ' HG13 ' A' ' 53' ' ' ILE . 49.1 mt-30 -68.48 -41.34 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.378 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.01 -42.32 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.66 94.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.49 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.8 t -62.9 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.054 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.582 HD13 HD12 ' A' ' 77' ' ' ILE . 92.9 mt -61.63 -45.1 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -59.69 -49.38 77.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.358 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.06 -35.29 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.723 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 52' ' ' SER . 70.7 mt -73.46 -34.16 65.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.592 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.439 ' HA ' HD23 ' A' ' 72' ' ' LEU . 32.3 t -79.58 -56.26 4.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.023 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -69.98 98.21 1.25 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -50.77 -60.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.792 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.09 11.72 31.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 0.0 110.341 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 58.97 73.19 0.49 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.093 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -96.63 -39.49 9.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.704 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.98 6.72 32.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.904 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -131.54 128.05 38.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.556 HD12 ' HB1' ' A' ' 36' ' ' ALA . 23.0 mt -96.04 116.34 28.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.6 p -82.06 -170.9 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.51 -41.96 83.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.029 0.443 . . . . 0.0 110.019 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 1.7 mp0 -57.94 -46.71 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.385 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.08 -43.5 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.019 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.579 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 35.3 t80 -57.48 -46.49 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.182 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 67' ' ' ALA . 75.0 mt -61.2 -42.68 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.992 0.425 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.1 tp -61.43 -50.35 73.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.38 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.84 63.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 90.8 mmm -65.96 -25.82 67.29 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 79' ' ' VAL . 83.1 t60 -67.06 -34.46 77.72 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 53' ' ' ILE . 94.5 mt -70.7 -40.09 73.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.149 176.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.582 HD12 HD13 ' A' ' 53' ' ' ILE . 1.7 mp -58.81 -42.88 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.0 -41.56 78.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.152 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 75' ' ' HIS . 57.7 t -73.51 -51.07 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.956 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.76 -28.79 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.806 -175.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -55.42 -31.14 61.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.77 0.428 . . . . 0.0 111.722 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 t -78.88 -2.67 40.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.922 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.79 23.65 29.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.883 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -86.84 146.76 41.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 122.366 0.266 . . . . 0.0 110.733 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.68 152.37 42.42 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.591 2.194 . . . . 0.0 111.421 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 85.1 mt -110.58 144.03 29.38 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.609 0.243 . . . . 0.0 110.807 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 16.2 Cg_exo -68.51 154.85 70.85 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.952 2.435 . . . . 0.0 112.281 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.75 -36.31 11.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.568 2.179 . . . . 0.0 112.231 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.8 m -129.01 166.93 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.77 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.66 141.78 23.33 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.71 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 51.8 Cg_endo -73.06 153.78 52.27 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.025 1.817 . . . . 0.0 112.157 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 43.3 Cg_exo -58.09 -33.35 97.26 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 0.0 114.054 -174.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' OE2' ' HB2' ' A' ' 91' ' ' PRO . 1.3 pm0 -80.22 -13.37 59.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.195 -0.315 . . . . 0.0 111.4 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.71 ' HB2' ' HG2' ' A' ' 91' ' ' PRO . 0.5 OUTLIER -89.75 -9.17 50.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 0.0 110.68 177.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 58.4 mt -78.03 126.52 83.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.841 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 24.4 Cg_exo -63.73 153.88 72.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.716 2.278 . . . . 0.0 112.79 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.35 157.1 12.22 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.266 2.644 . . . . 0.0 112.139 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 m 75.59 -35.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.505 0.722 . . . . 0.0 111.16 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 85.1 m-85 -87.29 -16.2 35.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.274 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.853 -177.537 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 2.1 t90 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.249 0.547 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.87 39.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.395 -0.82 . . . . 0.0 113.022 -170.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.78 116.72 26.26 Favored Pre-proline 0 C--N 1.316 -0.851 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 143.28 47.15 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.613 2.209 . . . . 0.0 112.017 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.546 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 28.8 tt0 -57.21 -46.31 83.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -178.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -56.93 -37.54 71.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -71.77 -45.86 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.437 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 11.3 ptm180 -66.9 -32.31 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.605 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 55.2 mt -62.34 -38.69 90.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.35 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.182 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.496 ' HB2' HG12 ' A' ' 71' ' ' ILE . 10.3 m-85 -81.42 -28.62 34.21 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.588 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 7.3 ttt180 -68.46 -25.62 65.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.444 0.64 . . . . 0.0 109.405 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -76.62 -12.64 60.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.836 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 22' ' ' SER . 7.9 tp -156.09 39.87 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.23 -170.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -36.09 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 119.204 3.038 . . . . 0.0 119.204 60.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.9 t30 -47.78 -45.25 29.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -152.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.521 ' HB2' HD12 ' A' ' 19' ' ' LEU . 53.0 m -71.22 -24.52 62.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.432 0.56 . . . . 0.0 112.414 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -94.78 -6.43 43.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.717 0.294 . . . . 0.0 110.341 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 121.388 0.613 . . . . 0.0 110.878 -179.163 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.766 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.6 p-80 . . . . . 0 CA--C 1.518 -0.285 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.08 140.38 31.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.0 p -77.41 175.17 10.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.802 177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -63.71 4.08 Favored Glycine 0 C--N 1.33 0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.053 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.62 -43.22 52.04 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.731 2.288 . . . . 0.0 112.774 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -60.46 -53.22 60.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.72 -49.03 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.888 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.97 -36.59 81.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.953 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.6 m -62.5 -40.95 98.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.46 -40.14 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.283 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 69.3 mt -56.65 -45.9 81.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.88 -16.64 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 38' ' ' THR . 76.6 mm-40 -71.41 -3.69 22.27 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 111.23 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 p -82.16 -3.93 55.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m 66.03 20.94 11.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.864 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 mt -97.49 147.74 33.43 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.253 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 20.0 Cg_exo -62.33 148.7 92.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 111.946 177.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.94 -20.05 65.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.74 -42.01 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.694 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.81 -38.79 89.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.298 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.0 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.301 . . . . 0.0 111.107 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -48.21 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 77' ' ' ILE . 89.8 mt -64.53 -37.63 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.052 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -58.79 -50.63 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.48 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.02 -33.85 73.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.55 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.77 -31.28 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -83.7 -50.55 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -68.53 113.31 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 99' ' ' PHE . 37.5 mm -91.95 -22.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 110.74 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -96.85 -17.24 20.32 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.526 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 66.53 31.5 7.92 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -88.68 -10.91 46.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.645 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.37 25.14 61.82 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.71 151.55 39.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD12 ' HB1' ' A' ' 36' ' ' ALA . 41.0 mt -122.27 118.27 28.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.766 HG22 ' HB3' ' A' ' 30' ' ' HIS . 71.3 p -74.72 -171.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 174.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.82 -53.22 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.516 0.198 . . . . 0.0 111.094 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -34.02 76.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.292 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.91 -41.56 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 59.5 t80 -59.6 -41.94 91.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.802 175.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 17' ' ' ARG . 65.0 mt -56.51 -46.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.828 175.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.5 tp -60.71 -52.57 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.929 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -53.6 56.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.759 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 96.7 mmm -65.81 -28.25 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.452 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' HG23 ' A' ' 79' ' ' VAL . 79.7 t60 -69.42 -34.76 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 53' ' ' ILE . 97.9 mt -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.572 HD12 HD13 ' A' ' 53' ' ' ILE . 1.5 mp -58.38 -43.78 87.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.866 172.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.19 -41.67 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 75' ' ' HIS . 89.8 t -62.58 -44.8 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.488 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -62.68 -42.25 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 177.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -25.54 67.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.323 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 m -81.4 1.94 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.691 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.95 14.56 72.12 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.593 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 28.8 mm-40 -93.82 146.44 31.72 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 11.9 Cg_exo -70.87 150.81 62.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.896 2.398 . . . . 0.0 112.478 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 93.0 mt -90.49 144.76 31.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.32 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 6.5 Cg_exo -73.94 153.71 47.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 178.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 3.1 Cg_exo -77.28 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 175.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.54 153.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.9 tp -83.44 140.41 41.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.697 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.4 Cg_exo -81.88 154.63 17.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.774 2.316 . . . . 0.0 111.881 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.66 -19.61 54.02 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 112.514 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 6.2 mm-40 -76.53 -19.87 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.022 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 91' ' ' PRO . 34.0 m-85 -100.71 3.17 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.146 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.9 mt -81.67 120.06 76.94 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 26.6 Cg_exo -63.41 151.72 83.53 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.46 2.107 . . . . 0.0 112.176 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 34.7 Cg_exo -62.54 -33.2 79.13 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.015 2.477 . . . . 0.0 112.947 -176.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -76.82 -21.62 54.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.2 m-85 -119.24 33.1 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.383 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -177.742 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.9 t90 . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 58.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.53 127.15 20.48 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.422 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.31 142.65 87.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.591 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.1 tp60 -55.4 -48.26 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.918 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -57.88 -35.12 70.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.843 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -75.63 -45.19 38.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.529 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 33.0 ptt180 -72.07 -32.34 66.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.73 -39.2 93.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.528 0.68 . . . . 0.0 110.211 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -38.83 92.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.869 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -91.83 -18.7 23.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.754 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -70.99 -25.83 62.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -70.88 -15.98 62.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.029 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 22' ' ' SER . 9.6 tp -161.81 41.33 0.14 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.421 -166.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -37.45 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 60.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -48.12 -44.34 31.87 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -152.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB3' HD12 ' A' ' 19' ' ' LEU . 21.4 t -62.91 -23.87 67.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.708 0.685 . . . . 0.0 111.383 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -92.38 -0.35 57.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.235 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.326 -0.426 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.753 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 35.6 p-80 . . . . . 0 CA--C 1.516 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.99 151.24 21.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 p -88.7 173.63 8.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.56 -64.97 3.06 Favored Glycine 0 CA--C 1.518 0.223 0 O-C-N 123.623 0.577 . . . . 0.0 113.191 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -45.7 37.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.567 2.178 . . . . 0.0 112.597 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.83 -43.66 98.4 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.0 111.068 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -65.5 -47.0 77.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.632 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 37' ' ' ARG . 23.0 mtp180 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.721 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 86.1 m -65.97 -36.79 84.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.5 -36.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.332 0.587 . . . . 0.0 109.904 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.4 mt -62.2 -44.09 97.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.665 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 38' ' ' THR . 23.0 ptp -66.77 -17.54 64.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.408 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 38' ' ' THR . 78.4 mt-30 -65.93 -14.6 61.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -82.42 -13.32 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.151 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m 63.16 30.39 15.99 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.571 177.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 81' ' ' MET . 89.7 mt -87.82 150.61 48.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.59 140.99 54.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.84 2.36 . . . . 0.0 112.63 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -37.06 73.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.261 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.58 88.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.991 0.424 . . . . 0.0 110.749 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -69.25 -40.38 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.219 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.37 -48.11 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -67.18 -42.22 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.64 -41.62 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -56.63 -49.99 73.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.811 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.17 -34.77 75.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.354 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.3 mt -73.67 -31.79 63.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.539 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 t -85.58 -25.68 26.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.6 140.56 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.489 0.662 . . . . 0.0 111.587 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.5 mt -124.31 -28.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.72 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -163.83 5.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -136.86 79.41 1.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.098 0.952 . . . . 0.0 110.15 -176.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.61 -16.54 49.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.017 -170.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.63 25.63 4.71 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 119.552 -1.308 . . . . 0.0 113.775 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -142.8 138.2 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.533 0.666 . . . . 0.0 110.845 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 69' ' ' GLU . 18.9 mt -126.26 113.09 16.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 30.1 p -77.23 -170.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.71 -38.53 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.91 -43.76 94.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.42 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' HD22 ' A' ' 65' ' ' LEU . 1.6 mp0 -72.47 -37.77 68.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.648 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -62.04 -45.62 92.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.728 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.2 mt -59.41 -43.86 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.27 177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 90' ' ' LEU . 53.7 tp -61.61 -49.91 74.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.38 -52.57 64.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.489 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 21.4 mtp -74.08 -19.23 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.945 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.43 ' O ' HG23 ' A' ' 79' ' ' VAL . 29.7 t60 -69.45 -36.12 76.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 171.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.02 -38.72 66.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.787 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 74' ' ' MET . 31.4 mm -56.33 -45.86 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.492 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.19 -36.45 75.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 75' ' ' HIS . 78.9 t -74.62 -46.99 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.16 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.272 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.403 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.3 -11.88 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.702 177.347 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.1 t -92.66 12.08 24.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 109.989 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.05 15.44 81.65 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.329 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 33.0 mm-40 -79.95 147.08 65.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.874 0.369 . . . . 0.0 111.501 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 3.0 Cg_exo -76.34 153.94 35.94 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.017 2.478 . . . . 0.0 111.014 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.3 mt -100.65 143.15 26.01 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.363 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 1.4 Cg_endo -81.52 155.3 18.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.041 2.494 . . . . 0.0 112.279 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.65 -44.43 17.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 111.493 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.9 t -121.06 155.02 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 72' ' ' LEU . 18.6 tp -96.85 143.92 26.96 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -59.35 152.47 60.49 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.07 1.847 . . . . 0.0 111.936 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.91 -40.66 20.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.796 2.331 . . . . 0.0 113.067 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HA ' ' NH2' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -70.01 -14.84 62.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 111.699 -178.132 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -82.94 -16.16 48.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.338 . . . . 0.0 110.178 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.53 118.86 72.7 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 26.4 Cg_endo -62.31 153.37 70.74 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.524 2.15 . . . . 0.0 112.487 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 31.5 Cg_exo -61.68 156.91 45.03 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.635 2.223 . . . . 0.0 111.615 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m 75.07 -42.63 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.36 0.664 . . . . 0.0 111.198 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -76.13 -8.79 57.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.054 0.455 . . . . 0.0 110.63 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.451 ' NH2' ' HA ' ' A' ' 93' ' ' GLU . 88.4 mtt180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 173.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo . . . . . 0 N--CA 1.479 0.656 0 N-CA-C 110.621 -0.569 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -76.62 166.06 27.85 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.381 2.054 . . . . 0.0 110.964 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.497 HG12 ' O ' ' A' ' 3' ' ' VAL . 25.2 t 61.92 29.23 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 122.155 0.978 . . . . 0.0 110.098 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.81 17.79 11.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.971 -178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -98.61 141.04 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 t90 73.71 120.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 O-C-N 124.026 0.829 . . . . 0.0 110.075 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.4 -5.53 33.4 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -169.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.5 p -78.87 126.59 82.04 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -47.71 137.28 21.11 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.161 2.574 . . . . 0.0 113.116 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -58.17 -42.82 86.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.589 0.588 . . . . 0.0 112.589 -176.497 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.8 m -67.32 -34.75 78.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.352 . . . . 0.0 110.487 178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.9 m -70.33 -45.46 66.14 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.805 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' GLN . 27.1 ptt180 -61.46 -35.14 76.77 Favored 'General case' 0 C--O 1.226 -0.161 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 34.2 mt -66.53 -37.37 84.86 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 120.966 0.412 . . . . 0.0 110.76 177.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -69.58 -36.04 75.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.172 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.481 ' HB2' HG12 ' A' ' 71' ' ' ILE . 37.2 m-85 -81.24 -35.0 31.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.659 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.639 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 2.6 tmm_? -61.34 -25.93 67.48 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 176.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -74.6 -13.9 60.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.261 -0.882 . . . . 0.0 112.178 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 22' ' ' SER . 7.2 tp -156.72 39.2 0.32 Allowed 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.383 -170.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -36.24 -80.45 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 119.63 3.196 . . . . 0.0 119.63 60.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.608 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 1.9 t-20 -47.56 -45.92 27.44 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -152.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.554 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.5 t -63.51 -22.8 67.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -96.5 -7.82 33.67 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.574 ' OD2' ' HB3' ' A' ' 28' ' ' SER . 9.6 t70 -96.1 144.87 25.97 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -81.93 31.58 0.37 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.859 0.361 . . . . 0.0 110.369 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.6 p 49.9 40.96 22.05 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 123.922 0.889 . . . . 0.0 111.401 -177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.9 ttt -159.6 -27.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.574 ' HB3' ' OD2' ' A' ' 24' ' ' ASP . 9.2 t -69.43 -54.34 14.83 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.219 -175.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.97 0.41 85.35 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.268 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.7 p-80 -169.31 151.44 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.9 mt -107.15 137.76 44.6 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.918 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -72.83 165.01 25.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.803 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.76 -63.91 2.06 Favored Glycine 0 C--N 1.335 0.472 0 CA-C-O 119.647 -0.53 . . . . 0.0 113.637 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.31 -45.36 34.33 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.543 2.162 . . . . 0.0 112.756 177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -59.59 -53.38 58.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.792 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -59.06 -46.83 87.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.762 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -64.03 -32.35 73.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.568 -178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.425 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 96.6 m -62.34 -46.0 90.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.806 0.336 . . . . 0.0 110.7 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 56.5 mt -70.44 -34.76 59.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.135 0.493 . . . . 0.0 110.026 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.9 mt -64.78 -36.72 85.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.096 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.9 mtp -62.87 -28.85 70.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.595 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.426 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 7.4 mm-40 -76.6 7.18 4.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.899 0.38 . . . . 0.0 111.464 -175.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.9 p -84.9 -19.48 32.22 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 67.97 21.38 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.583 -177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.434 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 88.3 mt -87.31 158.55 51.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.331 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 30.0 Cg_endo -63.96 142.43 81.63 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.727 2.285 . . . . 0.0 112.654 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.18 -34.85 74.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.093 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.07 75.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.072 0.463 . . . . 0.0 110.742 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -73.26 -37.36 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.868 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.0 mt -58.81 -47.49 84.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.21 83.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.2 m -65.32 -48.75 71.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.63 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.435 HD13 HD12 ' A' ' 77' ' ' ILE . 79.4 mt -63.02 -38.54 82.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.594 178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t-105 -60.08 -51.11 71.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.851 0.358 . . . . 0.0 110.557 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -60.35 -34.76 74.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.539 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.0 mt -73.05 -39.42 65.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.355 178.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.8 t -71.92 -61.39 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.457 -176.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' HB3' ' NE2' ' A' ' 61' ' ' GLN . 24.7 t0 -63.46 104.98 0.69 Allowed 'General case' 0 C--O 1.236 0.387 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -176.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.8 mt -72.23 -28.89 30.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.743 -169.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -117.99 9.53 12.81 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.381 -0.528 . . . . 0.0 110.753 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' NE2' ' HB3' ' A' ' 58' ' ' ASP . 28.3 mm-40 49.33 63.64 2.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.804 -178.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -96.12 -42.17 8.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.545 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.9 21.46 8.58 Favored Glycine 0 N--CA 1.443 -0.867 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.797 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.7 mttp -138.87 130.4 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 177.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.4 mt -109.39 114.92 28.99 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.463 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.6 p -76.18 -170.63 1.48 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -64.79 -41.14 96.05 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.631 -0.427 . . . . 0.0 110.362 178.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.419 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 22.8 mp0 -64.29 -45.14 89.3 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.145 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.536 ' HB3' HD22 ' A' ' 65' ' ' LEU . 6.8 mm-40 -69.68 -36.09 75.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.05 -175.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.87 -44.78 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.717 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.3 mt -59.2 -41.87 85.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.002 0.429 . . . . 0.0 110.094 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.5 tp -59.42 -52.39 65.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.639 175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.66 -53.69 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.146 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.9 mtp -64.98 -29.67 70.61 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.579 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.496 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.8 t60 -67.17 -34.37 77.41 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 177.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.8 mt -69.8 -37.24 76.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.225 175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.435 HD12 HD13 ' A' ' 53' ' ' ILE . 1.7 mp -59.7 -40.96 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.127 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.63 -39.91 95.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.0 t -61.2 -44.13 97.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.295 176.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.28 -38.31 89.88 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.5 mmt -63.08 -41.34 99.41 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.672 174.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 t -68.45 -12.79 61.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.592 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 78.81 25.86 59.57 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.055 179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.468 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 94.5 mt-30 -101.25 144.64 28.96 Favored Pre-proline 0 N--CA 1.447 -0.593 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 17.6 Cg_exo -66.87 137.69 45.92 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.837 2.358 . . . . 0.0 112.735 -177.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.8 mt -83.77 145.9 48.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.796 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.93 154.12 33.37 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.127 1.885 . . . . 0.0 112.042 177.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.35 -27.29 16.37 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.453 2.102 . . . . 0.0 111.636 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.8 t -132.5 149.98 32.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.408 HD23 HG12 ' A' ' 95' ' ' ILE . 19.3 tp -81.86 141.12 47.27 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.486 ' O ' HG13 ' A' ' 95' ' ' ILE . 87.4 Cg_endo -88.54 152.87 6.4 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.277 1.984 . . . . 0.0 112.171 177.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.86 -16.94 52.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.02 2.48 . . . . 0.0 111.703 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -58.6 -35.13 71.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.447 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -113.25 10.38 18.5 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.75 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 91' ' ' PRO . 67.8 mt -94.62 118.9 66.83 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 25.5 Cg_exo -63.3 154.06 70.42 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.904 2.402 . . . . 0.0 112.529 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.75 157.16 44.06 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 123.084 2.522 . . . . 0.0 112.083 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 47.7 m 74.52 -34.84 0.28 Allowed 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.524 0.729 . . . . 0.0 111.916 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.41 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 86.9 m-85 -86.15 3.16 43.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.097 0.475 . . . . 0.0 110.524 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -88.6 -4.9 58.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.759 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -151.93 116.68 5.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.802 177.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.9 p -136.74 101.58 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.777 0.799 . . . . 0.0 111.388 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -138.33 104.08 5.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.651 177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.808 HD23 ' H ' ' A' ' 104' ' ' LEU . 2.0 pt? -93.93 22.35 5.79 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.98 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.33 141.67 51.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -138.06 -4.29 1.73 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -174.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 22.9 m-70 -51.94 103.92 0.07 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 112.627 0.602 . . . . 0.0 112.627 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -151.27 109.74 3.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.915 -1.038 . . . . 0.0 108.413 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -135.59 100.09 4.39 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.455 . . . . 0.0 111.097 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -149.99 84.35 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.932 176.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.643 174.546 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 2.2 Cg_endo . . . . . 0 N--CA 1.477 0.531 0 N-CA-C 110.327 -0.682 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 16.9 Cg_exo -66.55 153.73 76.94 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.816 2.344 . . . . 0.0 112.199 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.7 t -80.28 90.06 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.218 0.533 . . . . 0.0 110.43 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 97' ' ' PRO . . . -115.46 92.82 4.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.253 177.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -94.64 146.71 23.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.878 -177.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -143.81 113.46 7.08 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -84.06 68.25 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.319 0.58 . . . . 0.0 112.189 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.7 p -138.73 132.07 16.13 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.684 172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -50.65 121.65 8.31 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 123.153 2.569 . . . . 0.0 112.568 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.563 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 5.6 tp-100 -53.98 -53.31 54.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.639 -174.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.5 m -58.45 -49.13 78.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.916 0.389 . . . . 0.0 111.103 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.3 t -67.54 -34.3 76.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.111 -178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.622 ' HB2' HG21 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -75.37 -34.61 61.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.911 0.386 . . . . 0.0 110.502 -175.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 58.6 mt -64.38 -34.86 79.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.312 0.577 . . . . 0.0 110.605 175.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -61.47 -40.92 96.27 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.798 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.476 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.1 m-85 -80.58 -22.13 41.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.704 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.478 ' HB2' HD11 ' A' ' 71' ' ' ILE . 31.4 ttt85 -68.98 -26.43 65.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.705 0.764 . . . . 0.0 109.249 173.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -75.6 -13.58 60.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.559 -1.201 . . . . 0.0 112.027 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.604 ' HG ' ' CE1' ' A' ' 23' ' ' HIS . 9.2 tp -157.98 40.11 0.27 Allowed 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.009 -170.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -35.9 -77.96 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 119.501 3.149 . . . . 0.0 119.501 62.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -47.62 -52.36 18.19 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-N 119.746 1.157 . . . . 0.0 113.666 -156.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.529 ' HB2' HD12 ' A' ' 19' ' ' LEU . 73.9 m -72.19 -25.0 61.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.59 0.632 . . . . 0.0 111.808 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.604 ' CE1' ' HG ' ' A' ' 19' ' ' LEU . 37.4 m170 -75.5 -41.14 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.291 176.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -73.65 160.23 31.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.199 -178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -80.66 -28.03 36.95 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.048 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 27' ' ' MET . 13.4 t -154.73 25.59 0.44 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.725 0.298 . . . . 0.0 110.765 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.494 ' HG2' ' O ' ' A' ' 26' ' ' THR . 20.1 ptm 51.63 29.44 5.61 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.46 1.104 . . . . 0.0 111.94 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.9 m -156.88 23.2 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.867 -178.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.32 -13.33 31.09 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.37 -0.919 . . . . 0.0 113.108 -176.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.661 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.6 p-80 52.9 124.69 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 124.723 1.209 . . . . 0.0 112.623 -174.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.4 mt -74.56 134.04 42.2 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.382 -175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.2 p -75.85 174.3 10.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.03 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.511 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.68 -65.99 2.84 Favored Glycine 0 N--CA 1.452 -0.256 0 CA-C-N 116.029 -0.532 . . . . 0.0 113.17 -177.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.44 -44.4 49.82 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.554 2.17 . . . . 0.0 112.685 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -59.08 -52.87 63.87 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.708 0.289 . . . . 0.0 110.988 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.32 -45.25 94.08 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.03 -38.68 92.15 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.374 -178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.458 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 90.8 m -64.17 -41.74 97.01 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.544 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 72.1 mt -66.73 -40.28 85.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.156 0.503 . . . . 0.0 110.037 176.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.7 mt -60.66 -47.16 87.47 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.5 178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.418 ' HA ' HD11 ' A' ' 50' ' ' LEU . 25.8 ttt -65.56 -28.93 69.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.67 -175.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 48.7 mt-30 -72.67 4.89 3.51 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -176.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.3 m -77.9 -85.57 0.07 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -172.96 11.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.104 0.561 . . . . 0.0 110.789 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -106.84 147.54 35.25 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 120.691 0.281 . . . . 0.0 111.454 -170.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.93 158.68 34.56 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.586 2.191 . . . . 0.0 111.129 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -62.28 -27.89 69.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.49 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.0 -48.06 76.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 0.0 111.2 177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -74.56 -37.07 63.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.727 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 41' ' ' MET . 94.8 mt -61.0 -37.66 83.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.435 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.31 -39.03 93.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.931 0.396 . . . . 0.0 110.694 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.9 t -67.41 -42.88 82.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 109.938 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 76' ' ' LEU . 80.8 mt -63.69 -43.88 98.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.453 176.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.511 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 44.5 t-105 -57.67 -50.58 72.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.795 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.27 -36.53 75.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.612 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD22 ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -74.72 -28.47 60.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.019 177.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.405 ' HA ' HD23 ' A' ' 72' ' ' LEU . 25.1 t -88.76 -47.19 8.4 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -171.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -72.63 123.14 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.5 mm -105.93 -30.53 2.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -174.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -129.58 -20.6 3.23 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 -168.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.587 HE22 HG23 ' A' ' 66' ' ' THR . 40.2 mt-30 -108.26 -24.28 11.57 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -164.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.42 11.4 7.99 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.455 0.645 . . . . 0.0 110.855 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 175.12 26.14 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.846 -1.169 . . . . 0.0 113.83 -178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.566 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 50.0 mttp -150.28 146.18 26.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 117.474 0.637 . . . . 0.0 109.479 176.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.572 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.8 mt -120.21 109.12 15.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.065 0.46 . . . . 0.0 110.652 177.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.661 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.5 p -78.1 -170.71 2.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.257 175.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.11 -42.22 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.699 0.285 . . . . 0.0 111.539 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 15.3 mm-40 -67.36 -42.66 83.08 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.158 0.504 . . . . 0.0 110.566 -179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB3' HD22 ' A' ' 65' ' ' LEU . 29.0 mt-10 -74.76 -40.45 61.2 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.214 -173.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.46 -42.2 82.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.637 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.622 HG21 ' HB2' ' A' ' 13' ' ' ARG . 83.8 mt -61.09 -45.28 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.618 178.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.8 tp -59.3 -44.1 92.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.287 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.51 -52.96 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.405 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 38.8 mtp -70.84 -20.32 62.56 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.674 -178.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -71.05 -35.87 72.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.412 HD12 HG23 ' A' ' 53' ' ' ILE . 96.7 mt -71.96 -32.94 67.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.758 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 73' ' ' ALA . 48.1 mm -59.59 -41.63 85.63 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.476 174.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.61 -37.39 87.14 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.41 -48.63 76.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.618 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.36 -35.07 79.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.904 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -61.79 -26.43 68.09 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 176.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.5 t -80.24 -10.11 59.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.05 0.452 . . . . 0.0 110.151 178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.76 6.25 67.75 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.796 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.489 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.2 mm100 -82.89 143.73 46.77 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.531 0.205 . . . . 0.0 110.538 -179.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.6 Cg_exo -73.15 153.82 51.79 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.829 2.353 . . . . 0.0 112.165 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.486 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 53.4 mt -84.83 144.06 41.45 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.002 177.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 7.8 Cg_exo -73.21 153.41 51.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.493 2.129 . . . . 0.0 111.701 177.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 11.7 Cg_exo -71.5 -39.21 3.82 Favored 'Trans proline' 0 CA--C 1.518 -0.276 0 C-N-CA 122.633 2.222 . . . . 0.0 111.3 177.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.0 m -124.04 138.13 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.551 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.42 ' HB2' HD22 ' A' ' 56' ' ' LEU . 18.4 tp -85.83 142.14 36.47 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 3.7 Cg_exo -77.66 153.7 30.27 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.525 2.15 . . . . 0.0 111.782 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.56 -25.62 81.11 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.728 2.285 . . . . 0.0 111.976 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 10.2 mp0 -58.57 -34.65 71.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.208 179.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -88.85 -0.06 57.01 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.424 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 60.6 mt -85.7 122.28 73.15 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 50.1 Cg_exo -54.53 152.28 27.55 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 123.043 2.495 . . . . 0.0 113.147 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 38.4 Cg_exo -61.38 -38.63 62.97 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 123.158 2.572 . . . . 0.0 112.887 -175.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -85.7 9.07 17.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.929 -176.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HD1' ' HB2' ' A' ' 96' ' ' PRO . 61.9 m-85 -122.93 -31.11 3.7 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -81.1 -2.91 50.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 111.671 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -134.26 111.24 10.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 171.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 131.01 45.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.046 0.451 . . . . 0.0 111.002 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -104.79 110.92 23.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.571 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.94 19.52 14.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.435 0.636 . . . . 0.0 110.101 -176.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.52 102.05 14.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.469 -178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -129.62 86.58 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -145.46 104.2 3.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.996 0.427 . . . . 0.0 110.929 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -129.29 102.02 6.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.565 174.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -103.65 132.44 49.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.994 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -86.45 125.91 34.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.971 0.415 . . . . 0.0 111.243 -177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 74.2 t60 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.241 173.561 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo . . . . . 0 N--CA 1.481 0.743 0 N-CA-C 109.87 -0.858 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.07 125.97 18.38 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.027 1.818 . . . . 0.0 111.267 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 t -79.39 93.82 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.342 0.591 . . . . 0.0 109.49 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.42 55.08 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.434 -174.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 66.31 102.1 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.674 0.609 . . . . 0.0 110.503 -178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.1 t90 72.32 125.61 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.139 -172.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.23 39.58 0.12 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -169.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.9 p -129.61 122.29 20.62 Favored Pre-proline 0 C--N 1.315 -0.896 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 172.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_exo -53.67 144.61 52.48 Favored 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 122.946 2.431 . . . . 0.0 112.712 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.2 tp-100 -56.35 -47.33 79.05 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.587 -174.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -61.24 -37.79 84.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.771 0.319 . . . . 0.0 110.797 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.7 m -74.6 -44.18 51.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.367 -178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.9 ptm180 -63.89 -36.5 84.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.749 0.309 . . . . 0.0 110.818 -178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.01 -40.15 75.42 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.91 176.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 50.8 tttp -58.87 -41.47 87.12 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.342 178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -89.2 -13.45 38.24 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.917 -179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -74.94 -25.5 58.93 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 169.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 31.9 mt-30 -70.27 -14.7 62.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.592 -1.186 . . . . 0.0 111.891 175.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.423 HD12 ' OG ' ' A' ' 22' ' ' SER . 12.7 tp -157.13 42.12 0.33 Allowed 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.962 -169.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -38.67 -83.53 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 119.798 3.258 . . . . 0.0 119.798 59.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -47.18 -46.53 23.77 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -150.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.423 ' OG ' HD12 ' A' ' 19' ' ' LEU . 9.0 p -63.04 -23.13 67.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 118.291 0.496 . . . . 0.0 112.205 -176.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -98.56 2.02 47.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.321 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -94.68 169.52 10.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.079 0.466 . . . . 0.0 110.287 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.89 ' HG2' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -130.16 -71.13 0.61 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.163 -175.023 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.89 ' H ' ' HG2' ' A' ' 25' ' ' LYS . 15.4 t -179.19 152.05 0.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.453 ' HG2' ' N ' ' A' ' 28' ' ' SER . 45.5 ttm 66.02 168.07 0.21 Allowed 'General case' 0 CA--C 1.538 0.481 0 O-C-N 123.318 0.386 . . . . 0.0 110.685 179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.453 ' N ' ' HG2' ' A' ' 27' ' ' MET . 24.7 m 76.43 -52.34 0.6 Allowed 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 123.895 0.878 . . . . 0.0 110.923 177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.13 8.11 58.02 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.991 -0.623 . . . . 0.0 111.875 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.779 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.9 p-80 -148.81 158.76 44.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.829 0.347 . . . . 0.0 110.996 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.8 mt -109.29 158.95 17.37 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.581 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.4 p -89.78 177.1 6.59 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.023 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.409 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -48.97 -63.86 3.65 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.844 -0.616 . . . . 0.0 113.458 179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.52 -42.63 60.41 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.76 2.307 . . . . 0.0 113.024 -179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.5 -50.21 68.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.516 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.29 -47.75 84.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.668 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' HA ' ' HB2' ' A' ' 40' ' ' LEU . 92.8 mtt180 -63.64 -30.04 71.2 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.935 -177.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.498 ' O ' ' HG2' ' A' ' 41' ' ' MET . 54.6 m -56.07 -48.27 76.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.103 0.478 . . . . 0.0 110.481 176.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' HB ' ' HZ ' ' A' ' 70' ' ' PHE . 57.3 mt -74.61 -40.9 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.387 178.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 37' ' ' ARG . 73.1 mt -60.39 -37.72 81.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.244 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.498 ' HG2' ' O ' ' A' ' 38' ' ' THR . 27.4 ptt? -68.36 -18.33 64.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.691 0.281 . . . . 0.0 111.424 -176.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -81.53 6.53 14.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.635 0.255 . . . . 0.0 111.351 -178.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.0 p -78.51 -9.17 59.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.765 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m 69.25 15.93 8.5 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.709 -177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.7 mt -96.69 151.83 38.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.58 159.85 47.94 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.488 2.126 . . . . 0.0 112.25 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -60.11 -34.13 73.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.319 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.03 -51.29 64.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.412 178.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -70.76 -38.02 73.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.334 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.9 mt -60.74 -38.37 84.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.396 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.4 -37.96 74.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.1 t -66.15 -45.31 81.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.055 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.458 HD13 HD12 ' A' ' 77' ' ' ILE . 89.6 mt -64.67 -38.92 83.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.462 177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.409 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 35.2 t-105 -59.26 -47.87 83.75 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-O 120.829 0.347 . . . . 0.0 110.223 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -58.8 -32.57 69.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.817 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -73.55 -28.42 61.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.615 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.6 t -99.72 -18.83 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -173.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -79.3 93.46 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.542 HG21 ' HB3' ' A' ' 99' ' ' PHE . 47.6 mm -74.37 -48.99 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.923 -172.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -88.57 -8.07 55.38 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.481 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 61.77 79.72 0.24 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.643 174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -147.39 -50.34 0.19 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.187 177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.4 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 134.57 22.34 0.69 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 -177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.5 mttm -119.79 133.59 55.55 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.516 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.1 mt -111.57 114.67 27.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.813 0.339 . . . . 0.0 110.693 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.779 HG22 ' HB3' ' A' ' 30' ' ' HIS . 76.3 p -74.55 -178.91 3.77 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.209 174.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.472 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.88 -51.04 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.674 0.273 . . . . 0.0 110.934 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' HG3' ' HE2' ' A' ' 99' ' ' PHE . 2.1 pm0 -67.27 -31.27 71.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.209 -0.451 . . . . 0.0 112.158 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -73.01 -43.16 62.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.021 0.439 . . . . 0.0 110.104 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.431 ' HE2' ' HA ' ' A' ' 36' ' ' ALA . 24.9 t80 -60.62 -40.04 90.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.431 -179.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.8 mt -60.66 -45.46 97.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.307 0 CA-C-O 121.023 0.439 . . . . 0.0 110.673 177.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.6 tp -58.82 -49.68 76.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.329 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.56 -49.67 75.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.362 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 94.3 mmm -62.17 -32.61 73.25 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.485 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.1 t60 -70.06 -34.73 73.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.808 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.94 -35.78 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.458 HD12 HD13 ' A' ' 53' ' ' ILE . 1.5 mp -57.44 -46.19 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.891 171.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -57.64 -46.9 83.58 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.757 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.7 t -56.96 -52.08 60.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.098 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.13 93.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.097 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.45 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.68 -29.11 69.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.349 -179.116 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.5 m -83.05 5.63 21.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.409 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.76 9.51 77.91 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.761 177.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -90.21 144.53 31.24 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 109.967 -0.382 . . . . 0.0 109.967 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.37 166.28 29.08 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.436 2.091 . . . . 0.0 112.045 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -90.73 147.27 35.79 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.114 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -69.7 153.5 69.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.004 1.802 . . . . 0.0 112.086 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -64.33 -39.9 27.59 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.275 1.983 . . . . 0.0 111.094 175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 17.4 t -140.43 153.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.0 tp -80.54 140.09 51.56 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 2.3 Cg_endo -84.76 153.44 11.57 Favored 'Trans proline' 0 N--CA 1.456 -0.721 0 C-N-CA 122.631 2.221 . . . . 0.0 111.981 177.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.43 -27.33 75.55 Favored 'Trans proline' 0 CA--C 1.528 0.225 0 C-N-CA 122.774 2.316 . . . . 0.0 112.713 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -61.7 -27.35 68.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.683 0.278 . . . . 0.0 111.354 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.455 ' HE1' ' HD2' ' A' ' 75' ' ' HIS . 25.2 m-85 -95.6 -8.47 34.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.388 -178.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.5 mt -85.59 115.07 60.03 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.286 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 17.5 Cg_exo -66.3 154.45 74.16 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.848 2.366 . . . . 0.0 112.291 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 52.1 Cg_exo -56.19 151.36 43.77 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.076 2.518 . . . . 0.0 112.018 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.9 t 74.93 -37.88 0.36 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.148 0.579 . . . . 0.0 111.142 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.542 ' HB3' HG21 ' A' ' 59' ' ' ILE . 77.7 m-85 -84.62 4.73 30.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.969 0.414 . . . . 0.0 110.672 179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 -73.09 -13.55 61.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.771 178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -81.25 79.26 7.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.135 0.493 . . . . 0.0 110.65 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -104.97 109.38 27.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.21 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 103' ' ' ARG . 31.8 ttt180 -133.4 102.48 5.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.292 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.5 tp 71.54 138.64 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.919 0.762 . . . . 0.0 111.579 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.06 122.57 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.413 175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -83.14 69.79 9.95 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -63.5 141.93 58.58 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.771 -1.104 . . . . 0.0 111.287 -177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -134.6 116.47 15.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.488 0.661 . . . . 0.0 111.787 -176.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -113.71 158.93 20.27 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.133 170.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -105.65 139.27 40.5 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.866 -0.334 . . . . 0.0 110.487 -177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 55.1 t60 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.15 -0.928 . . . . 0.0 110.423 177.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo . . . . . 0 N--CA 1.479 0.641 0 N-CA-C 110.124 -0.76 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.24 105.52 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.625 2.216 . . . . 0.0 111.555 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 p -94.21 108.46 20.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.52 0.676 . . . . 0.0 110.699 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.01 93.73 1.77 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.748 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -145.71 116.89 7.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.65 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.07 131.44 54.6 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.67 39.86 0.08 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -171.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 p -133.4 126.95 19.54 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -48.72 133.67 27.21 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.894 2.396 . . . . 0.0 112.469 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.502 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 20.5 mt-30 -60.21 -39.46 86.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.036 -176.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 m -65.55 -39.31 91.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.094 0.473 . . . . 0.0 110.656 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -74.04 -41.46 61.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.904 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.505 ' O ' ' HB2' ' A' ' 17' ' ' ARG . 8.2 ptp180 -62.58 -34.18 76.45 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.422 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.3 mt -71.3 -37.95 71.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.064 0.459 . . . . 0.0 110.988 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -70.59 -45.41 65.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.186 -176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -85.42 -9.72 57.15 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.135 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 13' ' ' ARG . 16.8 ttp180 -74.94 -25.79 59.14 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 170.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.43 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 0.9 OUTLIER -71.87 -14.13 61.86 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.369 177.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.0 tp -158.86 42.42 0.24 Allowed 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.31 -170.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.5 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 32.0 t80 -37.7 -78.42 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 119.933 3.309 . . . . 0.0 119.933 59.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.5 t-20 -47.82 -41.58 24.08 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.518 1.674 . . . . 0.0 115.518 -152.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.517 ' HB2' HD12 ' A' ' 19' ' ' LEU . 42.9 m -59.51 -24.77 63.91 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 118.773 0.715 . . . . 0.0 111.945 -179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.65 -32.98 23.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.234 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.583 ' OD1' ' HB2' ' A' ' 27' ' ' MET . 20.8 t70 -80.29 102.81 9.75 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-O 121.793 0.806 . . . . 0.0 109.741 178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -110.84 -49.01 3.07 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.708 -176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.5 p -137.19 27.79 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.12 -178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.583 ' HB2' ' OD1' ' A' ' 24' ' ' ASP . 66.9 mtt -91.4 -84.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.498 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 t 174.65 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.839 0.352 . . . . 0.0 111.162 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.93 21.9 2.05 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.424 -0.893 . . . . 0.0 111.492 -171.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.684 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 -154.77 140.32 17.89 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.773 0.32 . . . . 0.0 110.282 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.5 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 81.8 mt -92.2 141.32 28.71 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.14 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -69.87 165.31 21.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.061 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.74 -64.19 2.22 Favored Glycine 0 CA--C 1.522 0.5 0 O-C-N 123.393 0.433 . . . . 0.0 113.564 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -56.97 -41.62 73.19 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.555 2.17 . . . . 0.0 112.369 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -56.07 -54.54 43.78 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.277 0.361 . . . . 0.0 111.272 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -61.11 -44.07 97.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.933 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 37' ' ' ARG . 22.9 mtm180 -63.4 -30.17 71.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.453 -178.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 92.2 m -58.25 -52.51 65.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.0 -39.71 77.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.078 0.466 . . . . 0.0 110.054 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 52.9 mt -58.76 -41.12 85.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.015 -178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 84.4 mtp -71.71 -19.27 62.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.707 0.289 . . . . 0.0 111.606 -178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.9 mm-40 -74.66 -2.86 28.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.85 0.357 . . . . 0.0 111.312 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -77.03 -19.64 56.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.452 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.8 m 69.05 14.52 8.8 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.44 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HB3' ' HD2' ' A' ' 46' ' ' PRO . 97.3 mt -76.2 160.17 78.6 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 176.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.502 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 35.8 Cg_endo -65.94 144.64 77.37 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 121.959 1.773 . . . . 0.0 111.274 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -62.08 -28.29 69.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.936 -175.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.79 -47.03 81.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.09 0.471 . . . . 0.0 110.778 175.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.502 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 87.9 mt-30 -73.33 -38.32 65.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.463 178.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.18 -46.59 88.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.941 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.58 94.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.529 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.2 m -60.16 -48.75 80.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.453 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.637 HD13 HD12 ' A' ' 77' ' ' ILE . 94.7 mt -60.38 -44.78 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.932 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -59.57 -50.58 73.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.81 0.338 . . . . 0.0 110.543 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -61.34 -34.91 76.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.706 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.0 mt -74.65 -31.7 62.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.946 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.9 t -87.16 -35.25 18.71 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -173.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -74.96 93.42 2.69 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 121.422 0.629 . . . . 0.0 109.829 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 99' ' ' PHE . 35.0 mm -82.45 -33.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.949 -177.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.89 -26.44 60.55 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.082 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 65.01 54.68 1.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.261 -0.881 . . . . 0.0 110.317 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -132.91 -10.36 3.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.854 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 86.85 35.07 10.33 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.666 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -139.17 148.0 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 36' ' ' ALA . 31.3 mt -120.73 112.01 18.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.593 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.684 HG22 ' HB3' ' A' ' 30' ' ' HIS . 52.6 p -71.03 178.11 3.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.6 177.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -60.57 -38.37 84.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.73 0.3 . . . . 0.0 110.674 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -67.16 -43.0 83.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.44 -35.12 65.72 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -60.04 -42.65 94.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.286 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 67' ' ' ALA . 86.6 mt -59.0 -45.01 92.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.229 176.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.562 HD22 ' HD3' ' A' ' 96' ' ' PRO . 63.5 tp -60.6 -48.17 82.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.659 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.65 -52.97 62.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.001 178.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 92.3 mmm -62.93 -28.73 70.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.447 -178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.514 ' O ' HG23 ' A' ' 79' ' ' VAL . 75.9 t60 -68.12 -34.72 76.89 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.515 HD12 HG23 ' A' ' 53' ' ' ILE . 97.1 mt -69.7 -38.71 77.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.046 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.637 HD12 HD13 ' A' ' 53' ' ' ILE . 1.8 mp -59.38 -43.54 90.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 172.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -58.97 -41.84 88.51 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.1 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 75' ' ' HIS . 91.4 t -63.5 -45.35 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.425 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.65 72.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 19.4 mmt -64.37 -17.59 63.88 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.452 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.2 t -89.97 -10.85 43.47 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.961 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.11 23.27 32.78 Favored Glycine 0 C--N 1.333 0.391 0 C-N-CA 121.043 -0.598 . . . . 0.0 112.275 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -94.8 143.73 26.67 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.692 0.282 . . . . 0.0 111.318 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.1 Cg_exo -74.16 134.84 19.92 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.924 2.416 . . . . 0.0 111.431 174.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.8 mt -84.72 144.0 41.69 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.799 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -74.84 154.01 43.0 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.531 2.154 . . . . 0.0 112.502 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.16 -28.37 12.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.398 2.065 . . . . 0.0 111.665 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 t -128.38 152.7 36.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.5 tp -101.08 140.33 21.21 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 9.7 Cg_exo -74.21 153.73 46.16 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 122.789 2.326 . . . . 0.0 112.132 175.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.416 ' HA ' ' CD1' ' A' ' 95' ' ' ILE . 31.2 Cg_exo -60.68 -28.17 86.07 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 123.0 2.467 . . . . 0.0 113.01 -179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -65.25 -17.5 64.55 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.814 0.34 . . . . 0.0 111.525 -178.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -101.64 -1.07 33.56 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.305 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 92' ' ' PRO . 69.5 mt -78.3 124.8 85.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.691 0.281 . . . . 0.0 110.781 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.562 ' HD3' HD22 ' A' ' 72' ' ' LEU . 32.1 Cg_endo -63.88 154.43 69.89 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.102 2.535 . . . . 0.0 112.803 -178.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 48.3 Cg_exo -55.51 151.22 38.97 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.881 2.388 . . . . 0.0 112.046 178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.1 m 74.29 -36.54 0.33 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.272 0.629 . . . . 0.0 111.958 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.502 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.8 m-85 -88.41 7.87 30.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.116 0.484 . . . . 0.0 110.235 178.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 17.0 mtp180 -74.66 -0.28 17.46 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.961 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 -151.12 84.22 1.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.94 0.4 . . . . 0.0 110.244 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.4 m -104.41 88.0 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.623 0.725 . . . . 0.0 111.625 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.665 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 0.3 OUTLIER -155.35 125.32 6.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.604 177.411 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -112.1 -67.93 0.96 Allowed 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.58 153.84 40.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 0.0 111.355 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -95.22 -27.29 15.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.426 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -100.71 106.7 18.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.468 178.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -71.9 132.46 44.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.238 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.68 131.45 50.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.288 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -80.6 -50.86 9.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 m170 . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.752 -0.642 . . . . 0.0 109.797 173.787 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo . . . . . 0 N--CA 1.479 0.673 0 N-CA-C 110.548 -0.597 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.42 160.23 50.59 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.552 2.168 . . . . 0.0 112.489 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.1 t -92.59 122.3 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.73 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.18 -160.35 0.29 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.61 0.569 . . . . 0.0 110.272 -177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 66.13 13.0 8.9 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.453 0.644 . . . . 0.0 110.459 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.504 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 9.4 t90 66.03 104.47 0.04 OUTLIER 'General case' 0 C--O 1.235 0.295 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.629 -174.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.54 67.48 2.05 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.753 -169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.432 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 p -142.86 129.17 10.55 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.771 171.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 50.9 Cg_exo -54.48 141.99 71.71 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.07 2.513 . . . . 0.0 113.216 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.581 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 18.8 pt20 -60.43 -35.49 75.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.983 -177.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -61.75 -42.25 98.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.339 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.3 m -66.15 -42.17 89.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.193 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.581 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 18.3 mtp180 -58.72 -38.41 78.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.694 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.5 mt -71.36 -48.02 52.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.408 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.04 -43.37 98.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.603 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.455 ' HB2' HG12 ' A' ' 71' ' ' ILE . 53.4 m-85 -86.03 -7.08 58.88 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.803 -178.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -75.79 -28.49 58.39 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 168.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.81 -14.28 61.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.798 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.485 HD12 ' HB2' ' A' ' 22' ' ' SER . 9.7 tp -162.71 42.54 0.12 Allowed 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.006 -166.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -38.99 -82.49 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 119.648 3.203 . . . . 0.0 119.648 58.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -46.82 -41.08 14.95 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -150.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.485 ' HB2' HD12 ' A' ' 19' ' ' LEU . 34.0 m -59.21 -23.08 61.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 118.752 0.706 . . . . 0.0 111.394 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 -102.32 12.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -90.84 128.98 36.93 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -132.66 -72.87 0.51 Allowed 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.7 p -133.36 110.17 9.86 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -171.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 28' ' ' SER . 25.0 ptt? 55.76 136.27 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 115.558 1.688 . . . . 0.0 115.558 166.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 27' ' ' MET . 73.9 m 76.29 95.17 0.07 Allowed 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 114.124 -1.398 . . . . 0.0 109.302 179.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.19 58.39 0.41 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 114.606 -1.179 . . . . 0.0 113.039 -177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.3 p-80 -146.34 156.98 43.72 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.028 0.442 . . . . 0.0 111.405 173.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 93.1 mt -101.21 158.26 16.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.05 175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 p -90.03 173.61 8.11 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 121.119 -0.232 . . . . 0.0 111.322 -177.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.09 -64.46 3.97 Favored Glycine 0 C--N 1.331 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 113.378 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -52.17 -43.05 55.93 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.616 2.21 . . . . 0.0 112.594 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -63.4 -47.42 82.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.575 0.226 . . . . 0.0 110.954 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.533 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.74 -46.67 89.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.204 0.526 . . . . 0.0 110.58 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.51 -39.75 94.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.721 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.463 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 96.8 m -59.79 -45.25 92.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.954 -178.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -68.35 -39.26 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.963 0.411 . . . . 0.0 110.004 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.492 ' HB3' HD22 ' A' ' 50' ' ' LEU . 61.1 mt -57.39 -42.81 82.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.251 176.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 90.3 mtp -68.41 -18.79 64.53 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.613 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -79.5 1.58 25.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.1 m -78.91 -85.02 0.08 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.416 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.5 m 175.86 -32.77 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.678 0.791 . . . . 0.0 109.942 -173.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 69.0 mt -66.81 144.99 98.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.848 -173.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -79.76 177.85 7.95 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.846 2.364 . . . . 0.0 112.123 176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -57.19 -37.89 72.83 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.099 -175.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.09 -47.87 77.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.66 0.267 . . . . 0.0 111.333 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HB2' ' HB3' ' A' ' 45' ' ' LEU . 15.1 mm100 -73.46 -38.96 65.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.522 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 40' ' ' LEU . 51.6 mt -62.15 -45.17 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.52 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.16 -36.65 83.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.738 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 t -62.47 -49.28 76.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.14 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.8 mt -64.69 -42.55 95.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.984 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' HZ2' ' HA2' ' A' ' 63' ' ' GLY . 37.8 t-105 -57.91 -48.49 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.042 0.448 . . . . 0.0 110.295 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -60.65 -33.87 73.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.721 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.6 mt -73.78 -37.45 64.98 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.522 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -78.97 -46.64 17.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -78.24 117.55 19.61 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.246 0.546 . . . . 0.0 110.41 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 21.4 mm -94.42 -26.48 4.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.241 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -100.04 -15.86 18.09 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.225 -172.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 72.29 21.9 3.69 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.523 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD2' ' HD3' ' A' ' 64' ' ' LYS . 22.7 t0 -73.77 -32.79 63.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.438 -176.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.402 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 95.98 1.36 61.45 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.221 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' HD3' ' OD2' ' A' ' 62' ' ' ASP . 10.3 mptt -114.63 140.2 49.01 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.533 HD12 ' HB1' ' A' ' 36' ' ' ALA . 29.7 mt -108.48 122.89 47.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 30' ' ' HIS . 43.6 p -78.64 -169.36 1.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 176.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.495 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.35 -47.2 71.15 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.101 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -67.98 -35.25 78.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.976 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.501 ' HB3' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -70.12 -38.98 75.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.036 0.446 . . . . 0.0 110.156 177.656 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -62.69 -46.01 90.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.682 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 67' ' ' ALA . 78.5 mt -59.56 -41.11 83.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.338 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.465 HD22 ' HD3' ' A' ' 96' ' ' PRO . 49.6 tp -62.13 -51.7 66.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.76 -48.18 78.42 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.204 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 96.3 mmm -67.38 -29.29 68.77 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.335 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.515 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.9 t60 -68.01 -36.32 79.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.76 -36.08 70.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.834 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' A' ' 81' ' ' MET . 24.4 mm -56.58 -49.78 76.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.903 173.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -58.6 -39.99 81.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.49 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 75' ' ' HIS . 97.6 t -64.51 -50.43 76.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.723 178.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -67.67 -32.96 73.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.5 OUTLIER -59.02 -27.22 65.25 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.33 0.652 . . . . 0.0 111.29 176.189 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.5 t -87.71 6.57 34.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.4 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.54 25.34 43.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.619 176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.421 ' HB2' HG12 ' A' ' 79' ' ' VAL . 30.4 mm-40 -100.8 147.83 34.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.549 0.214 . . . . 0.0 110.725 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.83 153.38 33.24 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.759 2.306 . . . . 0.0 112.463 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 80' ' ' ALA . 91.3 mt -95.97 144.26 27.52 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.662 -178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 74.2 Cg_endo -81.46 154.8 18.57 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.701 2.267 . . . . 0.0 112.496 178.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.4 Cg_exo -74.52 -32.67 5.96 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.723 2.282 . . . . 0.0 111.025 175.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 t -131.36 147.98 32.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.234 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.431 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.1 tp -102.99 141.95 23.54 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.896 -178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 16.2 Cg_exo -71.1 153.09 62.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.62 2.214 . . . . 0.0 112.209 175.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 33.8 Cg_exo -59.1 -30.81 94.21 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.247 2.631 . . . . 0.0 113.529 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.3 mp0 -60.98 -28.62 69.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.691 0.281 . . . . 0.0 111.488 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -93.46 -5.0 50.23 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.801 0.334 . . . . 0.0 110.699 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 92' ' ' PRO . 59.8 mt -90.57 126.65 55.47 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.676 -176.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.465 ' HD3' HD22 ' A' ' 72' ' ' LEU . 37.0 Cg_exo -61.83 157.86 40.89 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.986 2.457 . . . . 0.0 112.056 177.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.27 175.3 5.97 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.97 2.446 . . . . 0.0 112.688 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 102' ' ' VAL . 13.3 m 70.65 -65.92 0.31 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.812 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -63.91 -10.57 21.75 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -173.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -64.2 -29.36 70.48 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.43 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -135.9 26.93 3.3 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -173.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.454 HG13 ' O ' ' A' ' 98' ' ' SER . 19.2 m -82.77 4.54 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.224 0.535 . . . . 0.0 111.95 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.44 ' H ' ' HG3' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -92.76 137.18 32.59 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.113 177.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -153.33 69.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.681 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.15 84.93 6.42 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.642 0.734 . . . . 0.0 110.109 178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -117.58 19.74 13.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.069 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 34.1 m-70 -114.83 141.94 47.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.283 -0.872 . . . . 0.0 110.6 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -116.26 65.63 0.71 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 165.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.6 t-80 -62.85 -40.88 98.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.338 -1.301 . . . . 0.0 112.205 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -108.51 110.82 22.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.0 0.429 . . . . 0.0 111.556 -176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.6 t60 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.558 -0.734 . . . . 0.0 109.582 172.753 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 N--CA 1.481 0.755 0 N-CA-C 111.076 -0.394 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.453 ' O ' HG12 ' A' ' 3' ' ' VAL . 91.3 Cg_endo -82.07 102.1 1.19 Allowed 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.639 2.226 . . . . 0.0 112.838 -178.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.501 HG22 ' H ' ' A' ' 4' ' ' ALA . 0.5 OUTLIER 54.77 -174.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.698 0.799 . . . . 0.0 111.556 176.335 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.501 ' H ' HG22 ' A' ' 3' ' ' VAL . . . -82.6 57.9 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.15 0.5 . . . . 0.0 110.861 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -106.69 141.67 37.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.122 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -112.73 134.47 54.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.26 -28.84 63.32 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -76.99 126.97 84.86 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 76.4 Cg_exo -51.15 147.78 19.56 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.442 2.761 . . . . 0.0 113.28 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -58.48 -45.78 87.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.628 -175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.7 m -62.23 -34.15 75.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.916 0.388 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.4 m -70.79 -41.23 71.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.293 177.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 29.3 mtm180 -59.38 -38.04 79.48 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.653 179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.5 mt -61.85 -47.81 83.36 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 88.0 tttt -63.66 -42.63 98.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.412 -176.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.446 ' HB2' HG12 ' A' ' 71' ' ' ILE . 16.5 m-85 -79.08 -18.21 53.79 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.81 -177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.6 tpt180 -75.02 -26.79 59.77 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 54.0 mt-30 -76.18 -17.38 59.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.638 179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 22' ' ' SER . 5.2 tp -156.32 43.49 0.4 Allowed 'General case' 0 C--N 1.308 -1.214 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.483 -168.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 6.2 t80 -38.67 -85.37 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 119.945 3.313 . . . . 0.0 119.945 57.764 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -47.13 -44.3 21.48 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -149.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.558 ' HB2' HD12 ' A' ' 19' ' ' LEU . 35.5 m -59.46 -23.33 62.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 118.349 0.522 . . . . 0.0 112.007 -178.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -103.14 9.78 38.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.73 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -110.16 142.96 40.96 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' HG2' ' H ' ' A' ' 25' ' ' LYS . 43.2 pttt -92.27 -8.56 44.91 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.824 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.41 ' HB ' ' H ' ' A' ' 27' ' ' MET . 1.1 m -98.23 -80.07 0.46 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.605 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.41 ' H ' ' HB ' ' A' ' 26' ' ' THR . 26.5 ttt 173.79 -38.96 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.264 -177.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.618 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 15.7 t -167.03 35.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.423 -177.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.0 41.15 2.39 Favored Glycine 0 C--O 1.228 -0.272 0 C-N-CA 120.805 -0.712 . . . . 0.0 114.096 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.535 ' HB3' HG22 ' A' ' 66' ' ' THR . 13.1 p-80 54.16 157.74 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.907 1.283 . . . . 0.0 113.844 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 99.0 mt -116.57 154.44 30.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.986 173.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.6 p -81.7 171.75 14.21 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.437 0.161 . . . . 0.0 110.8 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.2 -64.71 4.04 Favored Glycine 0 CA--C 1.518 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 113.34 -176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -56.38 -41.09 80.0 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.526 2.151 . . . . 0.0 112.381 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -64.55 -44.19 91.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.718 0.294 . . . . 0.0 110.8 -178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -61.05 -48.5 81.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 110.303 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -65.8 -29.14 69.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.941 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.3 m -60.77 -41.45 95.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.859 0.361 . . . . 0.0 110.506 176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.15 -38.34 54.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 177.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.652 HD22 HD11 ' A' ' 77' ' ' ILE . 71.7 mt -60.37 -39.58 87.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.053 178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.4 tpt -62.48 -23.21 66.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.357 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -72.48 -9.99 59.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.931 0.396 . . . . 0.0 111.097 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.7 t -83.8 -12.61 55.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.301 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.8 t 64.95 25.22 12.73 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.43 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.517 HD11 HG23 ' A' ' 77' ' ' ILE . 85.9 mt -79.83 151.41 73.67 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.586 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.02 154.35 52.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.327 2.018 . . . . 0.0 111.758 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -63.39 -24.98 68.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.825 -175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.47 -47.89 82.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.866 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -73.27 -39.13 65.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.423 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.2 mt -59.92 -42.74 94.58 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.73 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.76 -33.15 75.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.842 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 t -73.81 -47.69 36.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.08 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' ' 76' ' ' LEU . 81.6 mt -60.97 -48.45 89.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 42.9 t-105 -59.54 -46.9 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.996 0.427 . . . . 0.0 110.354 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -60.18 -33.06 71.68 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.508 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.6 mt -74.46 -39.52 62.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.525 176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 p -77.79 -37.93 47.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -69.49 111.82 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.722 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 42.9 mm -108.65 -52.71 6.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.888 -179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -116.07 -22.79 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -166.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.602 ' NE2' HG23 ' A' ' 66' ' ' THR . 43.2 mt-30 -96.85 -22.48 16.88 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.637 0.976 . . . . 0.0 113.637 -166.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.2 t70 68.11 13.98 9.2 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.652 0.739 . . . . 0.0 110.844 175.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.2 28.77 0.02 OUTLIER Glycine 0 C--N 1.319 -0.396 0 C-N-CA 119.915 -1.136 . . . . 0.0 113.228 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' HB2' ' CD ' ' A' ' 61' ' ' GLN . 59.5 mttp -148.73 161.07 42.51 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.57 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.4 mt -125.39 117.03 22.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.712 0.291 . . . . 0.0 110.858 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.602 HG23 ' NE2' ' A' ' 61' ' ' GLN . 23.0 p -74.69 -175.82 2.59 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 172.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.497 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.28 -41.53 85.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.079 0.466 . . . . 0.0 109.794 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.735 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 35.2 mp0 -64.25 -42.92 96.27 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.771 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.08 -33.26 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.041 0.448 . . . . 0.0 110.365 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.505 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 9.3 t80 -66.03 -45.45 81.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.579 178.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 67' ' ' ALA . 79.9 mt -57.31 -45.02 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-O 121.108 0.48 . . . . 0.0 110.499 178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 65.3 tp -60.5 -45.42 93.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.458 177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.13 -52.32 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.759 -179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.505 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 36.3 mtp -67.98 -26.91 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.826 -177.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.9 t60 -69.31 -37.47 77.79 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.739 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 89.0 mt -67.19 -37.61 83.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.197 0.523 . . . . 0.0 109.608 174.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.652 HD11 HD22 ' A' ' 40' ' ' LEU . 62.6 mt -61.77 -46.15 97.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.832 175.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.14 -38.67 73.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.143 0.497 . . . . 0.0 110.984 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' HIS . 98.6 t -70.52 -45.46 74.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.834 177.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.401 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -65.77 -34.33 77.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.157 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -57.51 -40.41 78.64 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 123.267 0.627 . . . . 0.0 110.754 177.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -67.53 -29.88 69.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.017 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.21 9.11 26.34 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.509 -176.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.407 ' HB2' HG12 ' A' ' 79' ' ' VAL . 15.6 mm100 -76.12 144.99 76.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.25 . . . . 0.0 110.618 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.9 Cg_exo -68.63 139.11 43.46 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.747 2.298 . . . . 0.0 111.94 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 ' HB2' ' A' ' 80' ' ' ALA . 85.7 mt -87.1 144.88 37.0 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.876 178.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.49 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 46.1 Cg_endo -71.74 153.35 59.23 Favored 'Trans proline' 0 CA--C 1.53 0.28 0 C-N-CA 122.178 1.919 . . . . 0.0 112.514 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.6 Cg_exo -78.94 -36.19 0.8 Allowed 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.796 2.33 . . . . 0.0 110.791 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.466 ' O ' ' HB2' ' A' ' 87' ' ' PRO . 26.9 m -114.28 161.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.683 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.497 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 15.5 tp -119.02 138.88 26.61 Favored Pre-proline 0 C--N 1.319 -0.725 0 C-N-CA 120.418 -0.513 . . . . 0.0 109.814 176.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.2 Cg_exo -83.28 153.92 14.2 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 123.182 2.588 . . . . 0.0 112.369 176.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 24.3 Cg_exo -65.41 -13.29 39.05 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.333 2.689 . . . . 0.0 113.448 -178.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.36 -14.57 49.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 175.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -95.11 -25.41 16.44 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 173.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 69.4 mt -70.95 129.71 89.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.755 177.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.735 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 52.6 Cg_exo -55.77 153.6 29.8 Favored 'Trans proline' 0 C--O 1.237 0.458 0 C-N-CA 122.85 2.366 . . . . 0.0 112.904 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 50.4 Cg_exo -54.85 150.05 39.0 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.965 2.444 . . . . 0.0 112.034 179.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.3 m 75.41 -28.36 0.19 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.457 0.703 . . . . 0.0 111.542 -178.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.701 ' HA ' ' HB ' ' A' ' 102' ' ' VAL . 95.4 m-85 -91.4 -15.45 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.591 0.234 . . . . 0.0 110.417 178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -56.99 -41.69 78.87 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.32 -179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -139.66 75.92 1.54 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.731 0.777 . . . . 0.0 109.168 167.104 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.701 ' HB ' ' HA ' ' A' ' 99' ' ' PHE . 8.9 p -85.34 3.52 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.35 -174.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 54.96 96.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.324 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 93.8 mt -80.46 137.57 36.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.472 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -151.25 111.9 4.22 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.708 176.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -149.78 109.52 4.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.317 0.58 . . . . 0.0 110.111 179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -103.61 -38.49 7.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.479 ' CE1' ' HA ' ' A' ' 111' ' ' HIS . 27.5 t-80 -135.25 89.83 2.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.416 175.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.14 99.29 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 52.23 -87.32 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.153 0.981 . . . . 0.0 111.766 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.479 ' HA ' ' CE1' ' A' ' 108' ' ' HIS . 11.6 p80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.734 -0.65 . . . . 0.0 109.56 176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.473 0.29 0 N-CA-C 109.863 -0.86 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -57.04 143.45 92.77 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.582 2.188 . . . . 0.0 111.637 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 m -67.96 128.09 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 CA-C-O 121.079 0.466 . . . . 0.0 111.285 -178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.25 97.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.118 0.485 . . . . 0.0 109.952 176.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.9 160.17 43.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 -174.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -124.02 119.01 28.3 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.81 41.65 0.28 Allowed 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -172.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.98 125.08 24.78 Favored Pre-proline 0 C--N 1.321 -0.671 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 172.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -51.22 148.9 17.39 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.992 2.461 . . . . 0.0 112.472 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.466 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -64.43 -37.84 88.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.675 -175.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 m -66.94 -40.43 87.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.004 0.431 . . . . 0.0 110.154 177.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -67.64 -43.51 80.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.124 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 10.8 ptp180 -63.89 -33.06 74.84 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.656 0.265 . . . . 0.0 110.7 -177.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 63.1 mt -71.12 -40.19 71.59 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.268 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -58.32 -47.46 83.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.42 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HD2' HG23 ' A' ' 71' ' ' ILE . 7.3 m-85 -80.61 -30.0 36.82 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.737 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.545 ' HB2' HD11 ' A' ' 71' ' ' ILE . 49.3 ttp85 -67.19 -25.32 66.07 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 121.168 0.509 . . . . 0.0 109.951 177.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.24 -12.96 60.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.597 177.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD12 ' HB3' ' A' ' 22' ' ' SER . 10.3 tp -153.21 38.36 0.5 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 118.345 -0.836 . . . . 0.0 110.531 -171.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 8.6 t80 -36.39 -85.41 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 119.615 3.191 . . . . 0.0 119.615 61.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -49.01 -38.28 22.97 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 -152.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.54 ' HB3' HD12 ' A' ' 19' ' ' LEU . 36.3 t -65.4 -27.76 68.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 118.608 0.64 . . . . 0.0 111.214 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -91.64 -17.41 25.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.842 0.354 . . . . 0.0 110.663 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.68 148.43 25.89 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.704 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -114.83 18.55 16.44 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.5 p -140.76 -70.81 0.37 Allowed 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.182 0.515 . . . . 0.0 110.926 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 46.8 ttm 178.61 -38.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.622 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.559 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 26.9 t -164.0 47.32 0.12 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.477 -178.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -83.5 14.28 41.86 Favored Glycine 0 C--O 1.228 -0.236 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.382 -177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.559 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.6 p-80 59.32 153.77 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.246 1.419 . . . . 0.0 113.487 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.8 mt -111.12 141.78 44.16 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.657 172.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 40.0 p -84.67 177.8 7.91 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.201 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.667 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -51.46 -64.66 3.69 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.81 -0.632 . . . . 0.0 113.218 -177.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.46 -48.24 23.02 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.877 2.384 . . . . 0.0 112.728 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -61.72 -55.15 33.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.494 -176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.575 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -60.37 -45.21 94.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.404 -178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HA ' HD12 ' A' ' 40' ' ' LEU . 9.0 ttm180 -70.78 -29.75 66.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.483 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 52.7 m -62.59 -42.74 99.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.593 0.235 . . . . 0.0 110.387 177.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 52.9 mt -61.68 -42.37 94.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.403 0.621 . . . . 0.0 109.579 176.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.9 mt -59.26 -44.71 92.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.973 -1.012 . . . . 0.0 111.247 176.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -67.66 -34.0 76.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.12 -177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 38' ' ' THR . 47.0 mt-30 -74.5 0.71 13.85 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -177.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.6 m -77.51 -80.32 0.11 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.643 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 66.0 m -171.38 -39.96 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.803 0.335 . . . . 0.0 110.819 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 50.6 mt -61.42 144.79 91.72 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.322 -170.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 18.8 Cg_exo -65.94 161.63 38.72 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.819 3.012 . . . . 0.0 112.706 177.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -27.8 65.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.514 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.95 -51.31 64.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.995 0.426 . . . . 0.0 110.454 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -65.36 -37.92 88.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.972 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 86.7 mt -59.77 -44.94 93.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.808 178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.73 -44.12 91.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.467 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.6 m -58.74 -49.34 77.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.149 178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.463 ' CD1' HD13 ' A' ' 77' ' ' ILE . 90.3 mt -66.06 -41.61 89.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.189 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.667 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 50.9 t-105 -61.13 -48.14 82.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.907 0.384 . . . . 0.0 110.349 178.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -59.13 -37.23 76.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.469 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.31 -29.13 61.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.787 177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.401 ' OG ' ' HB2' ' A' ' 73' ' ' ALA . 23.0 t -82.9 -48.78 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.051 -171.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -79.57 104.53 10.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.181 0.515 . . . . 0.0 109.747 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.6 mm -71.0 -23.26 23.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.295 -175.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -109.15 3.81 22.27 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.664 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 43.45 40.55 2.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.061 0.944 . . . . 0.0 111.339 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -88.36 -41.05 13.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.127 -174.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.84 32.76 3.0 Favored Glycine 0 N--CA 1.44 -1.037 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -172.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 64' ' ' LYS . 9.6 mtmp? -138.16 139.77 39.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.32 . . . . 0.0 110.616 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.575 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.3 mt -124.71 105.95 9.7 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.613 172.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.559 HG22 ' HB3' ' A' ' 30' ' ' HIS . 53.3 p -79.56 -171.75 2.94 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 174.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.575 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -57.63 -52.48 65.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.788 0.328 . . . . 0.0 111.226 -177.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -66.97 -34.4 77.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.655 -176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -74.89 -40.35 60.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.226 0.536 . . . . 0.0 110.085 -176.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.539 ' HE1' ' SD ' ' A' ' 74' ' ' MET . 28.5 t80 -67.35 -37.46 83.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.802 -178.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 67' ' ' ALA . 82.3 mt -55.74 -44.17 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 121.099 0.476 . . . . 0.0 110.346 176.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.73 -47.09 87.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.328 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.96 -53.97 52.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.157 -177.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.539 ' SD ' ' HE1' ' A' ' 70' ' ' PHE . 29.6 mtp -68.01 -24.78 65.15 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.692 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' O ' HG23 ' A' ' 79' ' ' VAL . 62.1 t60 -73.09 -34.41 66.18 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.602 -0.839 . . . . 0.0 109.81 176.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HB2' HG23 ' A' ' 53' ' ' ILE . 97.1 mt -65.7 -35.54 81.05 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 173.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.474 ' HB ' ' O ' ' A' ' 74' ' ' MET . 30.6 mm -56.84 -49.81 77.43 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 173.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -58.09 -39.58 78.95 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.129 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 75' ' ' HIS . 96.3 t -63.37 -47.64 90.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.659 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.5 -29.98 69.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.772 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' ' 77' ' ' ILE . 19.3 mmt -60.33 -30.36 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.814 174.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -80.56 0.19 34.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.646 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.41 21.37 67.17 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.15 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -93.18 144.48 28.41 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 10.4 Cg_exo -71.97 134.73 24.02 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.939 2.426 . . . . 0.0 111.725 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.14 146.15 66.66 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.689 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -84.32 153.15 12.3 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.543 2.162 . . . . 0.0 112.288 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -86.09 -7.47 8.1 Favored 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 122.567 2.178 . . . . 0.0 111.555 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.5 t -132.79 151.25 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 177.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 22.9 tp -104.28 140.15 20.8 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 11.1 Cg_exo -74.42 154.23 45.38 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.535 2.157 . . . . 0.0 111.692 174.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.431 ' HA ' HD12 ' A' ' 95' ' ' ILE . 22.9 Cg_exo -64.62 -26.49 61.43 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.721 2.281 . . . . 0.0 112.126 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -66.67 -14.72 62.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.576 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -106.9 8.3 30.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.318 -0.238 . . . . 0.0 111.125 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 92' ' ' PRO . 66.3 mt -96.29 115.85 65.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.767 0.318 . . . . 0.0 110.533 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 36.1 Cg_endo -65.34 154.45 73.57 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.654 2.236 . . . . 0.0 112.673 -178.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 35.3 Cg_exo -60.38 159.83 25.8 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.796 2.331 . . . . 0.0 112.051 178.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.2 m 72.41 -50.19 0.7 Allowed 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.69 0.619 . . . . 0.0 111.269 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -72.08 -5.87 38.4 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.856 0.36 . . . . 0.0 111.311 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 80.6 mtp180 -66.09 -23.41 66.51 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.182 0.515 . . . . 0.0 110.103 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 101' ' ' ARG . 18.9 ptt85 -146.91 102.21 3.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.879 175.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.7 t -97.87 14.64 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 0.0 110.36 -176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -79.46 76.68 6.05 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.399 0.618 . . . . 0.0 110.389 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.2 mp -126.35 26.67 6.35 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -81.45 64.69 6.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.087 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -135.82 95.24 3.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.52 173.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -115.12 98.71 6.95 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.209 0.528 . . . . 0.0 110.252 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -122.04 87.5 2.76 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -143.81 89.33 2.04 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.386 0.612 . . . . 0.0 111.458 -175.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -111.66 -10.62 14.08 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.304 176.807 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.047 -0.79 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -60.59 120.6 8.43 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.584 2.189 . . . . 0.0 111.809 178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.4 t -101.49 106.4 19.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.177 0.513 . . . . 0.0 110.71 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.91 114.39 20.94 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.946 177.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -81.72 97.55 7.99 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.256 0.551 . . . . 0.0 110.521 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.401 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 10.3 t90 -147.87 118.05 7.3 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.379 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.1 70.2 10.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.331 0.586 . . . . 0.0 111.785 -173.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 p -135.03 117.0 12.5 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.877 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 55.0 Cg_exo -38.01 130.91 0.9 Allowed 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.704 2.936 . . . . 0.0 113.348 177.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.556 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 1.9 tt0 -55.93 -29.93 60.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.126 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 p -56.84 -41.53 78.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 177.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.9 m -70.32 -43.49 70.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.989 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 14.8 ptt180 -77.17 -32.03 55.87 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.34 -37.55 87.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.159 0.504 . . . . 0.0 110.663 174.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.552 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 39.1 tttp -66.11 -44.14 85.17 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.559 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.474 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 63.5 t80 -71.42 -32.12 68.03 Favored 'General case' 0 C--O 1.219 -0.517 0 C-N-CA 120.309 -0.556 . . . . 0.0 112.006 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 43.4 ttp180 -57.53 -24.39 55.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 121.32 -0.862 . . . . 0.0 109.137 177.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.552 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 15.2 mt-30 -82.84 -13.27 56.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.039 -1.437 . . . . 0.0 112.585 178.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -157.4 42.7 0.33 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.535 0.734 . . . . 0.0 110.304 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.5 -81.09 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 120.0 3.333 . . . . 0.0 120.0 57.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.48 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.7 t-20 -46.88 -46.13 20.91 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 -151.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.2 m -62.19 -25.43 67.78 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.595 0.634 . . . . 0.0 112.137 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -96.88 -44.21 7.14 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.616 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -68.1 125.05 25.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.379 -174.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -143.2 25.6 1.72 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.589 -179.418 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.4 t -162.45 -165.99 1.28 Allowed 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 tpt -90.15 73.16 7.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.24 0.543 . . . . 0.0 109.553 177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.0 m -79.79 -61.04 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.069 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.86 -29.53 3.02 Favored Glycine 0 CA--C 1.521 0.444 0 C-N-CA 120.953 -0.642 . . . . 0.0 112.156 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.673 ' HB3' HG22 ' A' ' 66' ' ' THR . 19.9 p-80 -156.04 151.06 26.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 70' ' ' PHE . 83.0 mt -100.67 165.86 11.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 53.9 p -87.58 165.68 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.755 0.312 . . . . 0.0 110.955 -176.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.416 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -49.85 -64.0 3.8 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.62 -0.718 . . . . 0.0 113.375 179.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -52.07 -45.73 37.04 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.602 2.201 . . . . 0.0 112.577 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -59.3 -53.19 61.02 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.621 0.248 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -57.64 -49.18 77.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.657 178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 41' ' ' MET . 16.6 mtp180 -64.58 -34.35 78.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.807 -176.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 85.7 m -61.56 -43.02 99.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.491 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.68 -38.24 65.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.094 0.473 . . . . 0.0 110.094 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 74.6 mt -58.27 -41.94 85.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.682 178.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.414 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 92.5 mtp -69.78 -18.42 63.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 38' ' ' THR . 78.4 mm-40 -73.81 -1.61 20.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.652 -174.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.3 p -79.74 -17.52 53.32 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.381 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 60.6 m 69.54 15.84 8.2 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.992 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -78.62 154.14 78.61 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.515 174.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.652 ' HG2' ' HG3' ' A' ' 49' ' ' GLN . 31.2 Cg_endo -65.09 145.49 84.95 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.144 1.896 . . . . 0.0 112.093 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -57.96 -28.7 64.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.566 -178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.51 -45.63 88.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.939 0.4 . . . . 0.0 110.687 177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' HG3' ' HG2' ' A' ' 46' ' ' PRO . 38.6 mt-30 -73.25 -36.53 66.42 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.037 178.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.79 -43.53 98.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.449 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.85 89.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.824 0.345 . . . . 0.0 110.662 178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -66.62 -42.54 86.63 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.96 177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 49' ' ' GLN . 82.8 mt -60.02 -47.36 92.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.196 176.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 56.1 t-105 -59.46 -49.89 76.06 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.926 0.393 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.461 HD22 ' HA ' ' A' ' 55' ' ' ASN . 1.9 t-20 -61.32 -31.4 71.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.288 -177.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.2 mt -74.73 -38.59 62.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.466 175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.475 ' O ' HD12 ' A' ' 59' ' ' ILE . 71.0 p -77.85 -41.36 37.15 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -174.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -85.13 100.95 12.07 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.545 HG21 ' HB3' ' A' ' 99' ' ' PHE . 3.1 mp -73.16 -45.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.753 -178.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.26 -26.71 52.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.335 -174.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 64.64 73.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.575 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -122.06 -24.34 5.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.151 175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.75 32.33 2.92 Favored Glycine 0 N--CA 1.44 -1.037 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.29 -174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -142.28 170.61 15.38 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.574 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.5 mt -137.93 115.63 11.38 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.469 176.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 30' ' ' HIS . 70.8 p -72.75 175.81 6.13 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 174.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.587 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.75 -45.0 93.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.135 0.493 . . . . 0.0 110.638 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 96' ' ' PRO . 16.0 mt-10 -65.99 -37.55 86.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.328 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' HG2' HD13 ' A' ' 59' ' ' ILE . 49.2 mt-10 -75.46 -41.91 54.52 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.159 0.504 . . . . 0.0 111.432 -177.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.463 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -65.8 -36.14 82.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.443 -177.338 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 67' ' ' ALA . 70.0 mt -55.71 -46.58 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 CA-C-O 121.062 0.458 . . . . 0.0 109.931 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.9 tp -59.17 -43.75 92.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.302 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.4 -50.96 71.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.342 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 90.0 mtp -62.25 -33.93 75.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.527 ' CE1' ' HD2' ' A' ' 9' ' ' PRO . 81.0 t60 -69.17 -38.93 78.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.542 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.0 mt -64.66 -36.22 83.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.323 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 72.1 mt -58.33 -49.71 81.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.823 176.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.0 -37.01 83.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.563 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 75' ' ' HIS . 84.7 t -67.31 -48.24 78.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.813 177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 84' ' ' GLN . . . -62.08 -41.87 98.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.018 0.437 . . . . 0.0 110.739 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.0 -21.71 66.34 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.078 178.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.8 t -79.42 -4.35 50.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.787 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.46 0.51 55.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.074 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 80' ' ' ALA . 15.8 mm100 -91.83 144.41 29.31 Favored Pre-proline 0 N--CA 1.448 -0.57 0 CA-C-O 120.623 0.249 . . . . 0.0 110.535 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.38 174.29 11.46 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 122.578 2.185 . . . . 0.0 111.598 173.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 91.3 mt -96.58 143.08 25.5 Favored Pre-proline 0 C--N 1.32 -0.683 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 6.5 Cg_exo -73.97 154.18 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.698 2.266 . . . . 0.0 112.169 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.21 -24.29 20.14 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.687 2.258 . . . . 0.0 111.696 177.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -138.13 147.08 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.402 177.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.444 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 19.0 tp -93.96 141.57 23.87 Favored Pre-proline 0 C--N 1.32 -0.686 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 178.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.483 ' O ' HG13 ' A' ' 95' ' ' ILE . 6.3 Cg_exo -76.35 152.86 35.04 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.409 2.072 . . . . 0.0 111.702 176.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.501 ' HA ' HD12 ' A' ' 95' ' ' ILE . 39.5 Cg_exo -58.21 -35.1 99.04 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.942 2.428 . . . . 0.0 112.497 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -57.43 -34.66 69.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.037 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -96.28 -2.45 45.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.555 -173.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 92' ' ' PRO . 73.7 mt -79.45 124.03 84.14 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 27.5 Cg_endo -62.41 155.35 58.14 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.961 2.441 . . . . 0.0 112.369 179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 22.2 Cg_exo -64.74 176.21 3.08 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.665 2.243 . . . . 0.0 111.892 177.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.4 m 69.89 -59.28 0.51 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.207 0.603 . . . . 0.0 111.618 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.545 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.0 m-85 -84.71 17.59 2.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.65 -175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -79.15 -3.03 43.57 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.007 0.432 . . . . 0.0 111.007 178.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.7 tpt85 -124.58 93.67 3.97 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 172.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t -84.86 120.42 35.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.569 -173.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.447 HH11 ' HD3' ' A' ' 103' ' ' ARG . 37.1 ttp180 71.95 105.45 0.07 Allowed 'General case' 0 N--CA 1.466 0.361 0 O-C-N 124.259 0.974 . . . . 0.0 112.099 172.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.9 tp -121.41 -34.7 3.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.141 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.594 ' OE2' ' HB2' ' A' ' 107' ' ' HIS . 0.0 OUTLIER -146.29 153.6 40.74 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.882 178.545 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -106.86 22.51 15.83 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.446 0.641 . . . . 0.0 109.548 -175.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.594 ' HB2' ' OE2' ' A' ' 105' ' ' GLU . 23.0 t-80 -80.35 102.99 9.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.787 -173.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -149.66 116.41 5.9 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -61.22 124.33 20.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.236 0.541 . . . . 0.0 110.909 -175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -70.21 146.77 50.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.422 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 76.7 m80 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.581 -0.723 . . . . 0.0 109.583 177.037 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo . . . . . 0 N--CA 1.476 0.498 0 N-CA-C 110.424 -0.645 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -72.99 119.86 6.3 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.212 1.941 . . . . 0.0 112.04 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.1 t -96.06 126.46 48.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.003 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.95 165.82 15.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.683 -179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 64.95 -163.49 0.26 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.923 0.764 . . . . 0.0 109.37 -178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -73.66 122.94 23.11 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.13 49.81 0.7 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -172.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.419 HG21 HG22 ' A' ' 71' ' ' ILE . 7.2 p -133.73 130.85 20.89 Favored Pre-proline 0 C--N 1.317 -0.832 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 172.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.35 142.27 22.83 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.559 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 48.0 mt-30 -65.06 -35.8 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.492 -177.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -60.01 -40.31 88.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.199 0.523 . . . . 0.0 110.483 176.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.7 t -68.99 -45.33 70.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.768 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptp180 -67.77 -30.41 69.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.698 0.285 . . . . 0.0 110.804 -177.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.0 mt -71.96 -46.51 57.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.883 0.373 . . . . 0.0 110.94 175.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -60.81 -40.02 91.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.681 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.561 ' HB2' HG12 ' A' ' 71' ' ' ILE . 59.3 m-85 -87.62 -2.88 58.91 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.751 -0.38 . . . . 0.0 111.918 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 39.1 ttt180 -76.53 -33.18 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 162.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 26.3 mt-30 -79.54 -12.64 59.85 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.168 -1.378 . . . . 0.0 111.92 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HB3' ' A' ' 22' ' ' SER . 15.4 tp -155.71 44.28 0.45 Allowed 'General case' 0 C--N 1.308 -1.238 0 CA-C-N 114.891 -1.05 . . . . 0.0 108.799 -172.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.472 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 2.3 m-85 -37.92 -83.93 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 120.246 3.424 . . . . 0.0 120.246 55.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' HA ' ' HB3' ' A' ' 24' ' ' ASP . 3.3 t-20 -46.64 -37.22 7.91 Favored 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -151.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.479 ' HB3' HD12 ' A' ' 19' ' ' LEU . 32.3 t -60.52 -24.05 65.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 118.438 0.563 . . . . 0.0 111.195 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -110.75 16.94 21.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.479 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HB3' ' HA ' ' A' ' 21' ' ' ASN . 3.0 t70 -129.97 139.52 51.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.1 0.476 . . . . 0.0 111.558 -175.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -97.99 34.79 1.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.503 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.8 p 53.7 34.49 19.03 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.794 0.837 . . . . 0.0 111.436 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 41.4 ttp -163.2 21.33 0.08 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.21 -177.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.5 m -88.92 -47.88 7.84 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.14 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.88 -40.47 1.64 Allowed Glycine 0 C--N 1.333 0.409 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.275 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.537 ' HB3' HG22 ' A' ' 66' ' ' THR . 36.7 p-80 -147.55 152.8 38.58 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 83.8 mt -95.14 157.18 16.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 173.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.7 p -90.44 169.6 10.92 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.618 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.55 -64.84 2.91 Favored Glycine 0 CA--C 1.518 0.232 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.946 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -49.69 -45.04 33.41 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.705 2.27 . . . . 0.0 112.721 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -57.71 -54.98 40.8 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.865 0.364 . . . . 0.0 111.066 179.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.09 -47.55 84.13 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.15 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 33.9 mtp180 -65.11 -33.49 76.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.965 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.546 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.8 m -65.58 -41.67 92.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.627 -0.261 . . . . 0.0 110.57 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.3 mt -72.79 -36.84 53.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 110.106 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 65.6 mt -60.62 -43.53 97.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.683 178.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.458 ' HG3' ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.15 -17.32 61.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.751 -175.287 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.546 ' HG3' ' O ' ' A' ' 38' ' ' THR . 93.0 mt-30 -63.02 -16.15 58.82 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.84 0.352 . . . . 0.0 111.484 -178.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.3 t -75.66 -6.36 50.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.921 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.0 m 66.45 15.52 10.13 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 122.885 0.474 . . . . 0.0 111.668 176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.0 mt -81.72 151.21 67.63 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.496 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -51.04 135.87 44.5 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.902 2.402 . . . . 0.0 111.847 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -65.76 -16.09 63.46 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -175.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.1 86.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.068 0.461 . . . . 0.0 109.93 172.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -72.46 -32.57 66.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.353 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 47' ' ' GLN . 91.6 mt -61.59 -44.01 97.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.38 177.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.21 90.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.446 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 67.1 m -60.62 -49.14 78.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.732 177.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.23 -42.83 94.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.889 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.0 t-105 -57.46 -50.66 72.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.058 0.456 . . . . 0.0 109.932 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.35 -31.97 73.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.285 -177.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 52' ' ' SER . 72.3 mt -70.09 -36.09 74.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.473 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.4 t -94.29 -20.76 19.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.564 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -65.3 123.89 20.78 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.007 0.432 . . . . 0.0 111.445 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.6 mm -85.62 -58.99 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.221 0.534 . . . . 0.0 109.575 173.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -165.68 39.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 174.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' OE1' ' HE2' ' A' ' 64' ' ' LYS . 15.5 mm-40 -86.93 -51.23 6.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.062 -173.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.4 t70 75.58 -35.42 0.27 Allowed 'General case' 0 N--CA 1.464 0.259 0 O-C-N 124.292 0.995 . . . . 0.0 110.906 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -155.05 34.84 0.66 Allowed Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.284 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HE2' ' OE1' ' A' ' 61' ' ' GLN . 35.3 mtmm -146.47 161.22 40.89 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.544 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.3 mt -152.03 115.88 4.88 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.432 0.457 . . . . 0.0 109.813 173.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.537 HG22 ' HB3' ' A' ' 30' ' ' HIS . 72.7 p -76.54 175.93 8.78 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 176.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -55.11 -51.59 65.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.917 0.389 . . . . 0.0 111.584 -175.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.82 -29.63 68.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.708 -176.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.47 ' HB3' HD22 ' A' ' 65' ' ' LEU . 47.2 mt-10 -74.42 -43.85 54.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.232 0.539 . . . . 0.0 109.932 178.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -58.36 -41.97 85.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.701 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.561 HG12 ' HB2' ' A' ' 16' ' ' TYR . 75.5 mt -59.9 -44.24 93.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.86 178.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD22 ' HD3' ' A' ' 96' ' ' PRO . 57.6 tp -62.24 -49.12 76.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.581 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.71 -44.1 85.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.337 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.534 ' O ' ' HB ' ' A' ' 77' ' ' ILE . 93.4 mmm -69.85 -28.34 65.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.327 -178.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -71.51 -34.08 69.79 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.697 -0.401 . . . . 0.0 109.984 175.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.8 mt -67.28 -29.49 69.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 175.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' HB ' ' O ' ' A' ' 74' ' ' MET . 31.2 mm -56.57 -48.61 80.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.304 174.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.8 -44.42 73.76 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.604 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 49.1 t -62.08 -51.19 75.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.753 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.21 70.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.29 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 22.4 ttt -63.99 -21.01 66.31 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.346 0.658 . . . . 0.0 111.508 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.2 t -90.36 3.36 53.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.305 0.574 . . . . 0.0 110.267 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 19.49 60.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.546 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.465 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 16.3 mm100 -95.82 144.65 28.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 120.612 0.244 . . . . 0.0 110.99 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 5.1 Cg_exo -74.37 146.53 35.58 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.921 2.414 . . . . 0.0 111.862 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 84.7 mt -85.34 143.9 39.83 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.153 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 13.0 Cg_exo -70.28 153.08 66.86 Favored 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.535 2.157 . . . . 0.0 111.904 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -74.02 -22.96 16.56 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.579 2.186 . . . . 0.0 111.801 177.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 24.1 m -132.63 150.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.467 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 21.0 tp -99.91 141.25 22.42 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 15.9 Cg_exo -71.25 153.33 61.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.535 2.157 . . . . 0.0 111.888 174.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 23.7 Cg_exo -64.52 -29.74 61.57 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.929 2.419 . . . . 0.0 112.779 -177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.94 -13.8 61.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.519 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -91.24 -16.24 27.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.954 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.75 123.18 87.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.177 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.531 ' HD3' HD22 ' A' ' 72' ' ' LEU . 22.0 Cg_endo -61.57 154.42 59.86 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.762 2.308 . . . . 0.0 112.62 -177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.25 156.54 24.91 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.106 2.538 . . . . 0.0 112.159 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.7 m 69.61 -53.78 0.6 Allowed 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.375 0.67 . . . . 0.0 111.848 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -65.03 -9.51 22.51 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 122.691 0.397 . . . . 0.0 111.908 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 31.3 mtp180 -67.47 -22.63 65.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 111.195 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -146.4 -28.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -85.05 85.97 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.18 0.515 . . . . 0.0 110.663 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -133.31 6.01 3.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.017 176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 8.0 tt -101.67 116.25 32.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.872 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -128.86 134.5 48.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.586 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -122.82 102.29 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.219 171.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -108.23 134.84 50.51 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -169.49 145.05 3.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.68 0.276 . . . . 0.0 110.454 -175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.8 p80 -150.54 154.98 38.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.14 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -81.06 132.74 35.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.574 173.383 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.476 0.472 0 N-CA-C 110.438 -0.639 . . . . 0.0 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.45 99.35 0.92 Allowed 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.569 2.179 . . . . 0.0 111.627 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -90.26 121.43 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.39 147.23 24.17 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.122 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 0.6 OUTLIER -92.94 15.06 15.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.346 0.593 . . . . 0.0 110.306 -179.219 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.416 ' HH2' ' HB ' ' A' ' 71' ' ' ILE . 6.4 t90 -109.03 120.69 43.28 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.334 -174.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -88.4 69.33 9.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.188 0.518 . . . . 0.0 112.016 -176.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.33 129.14 14.28 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.01 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -47.83 136.11 22.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 123.327 2.685 . . . . 0.0 112.839 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.416 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 59.7 tt0 -59.68 -42.18 92.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.153 -176.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -57.87 -34.14 69.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.94 0.4 . . . . 0.0 110.779 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.3 t -71.69 -39.11 70.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.018 -178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -76.97 -32.29 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 0.0 110.789 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 73.6 mt -60.32 -42.61 95.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.295 171.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 45.4 tttp -58.4 -39.48 79.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.765 176.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.516 ' OH ' ' HA ' ' A' ' 67' ' ' ALA . 81.2 t80 -77.98 -32.79 51.48 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 120.216 -0.594 . . . . 0.0 112.139 179.05 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 32.7 ttp180 -58.0 -24.3 57.63 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.405 -0.81 . . . . 0.0 109.073 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' HB2' ' O ' ' A' ' 15' ' ' LYS . 5.2 mt-30 -74.25 -14.13 60.88 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.199 -1.364 . . . . 0.0 112.4 176.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.0 tp -161.67 43.38 0.15 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.644 0.778 . . . . 0.0 109.912 -167.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -39.59 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 120.039 3.348 . . . . 0.0 120.039 57.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.7 t-20 -46.09 -43.57 14.84 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 -151.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.4 m -67.48 -23.77 65.52 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -112.69 -5.76 13.93 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -77.91 127.15 31.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.248 0.547 . . . . 0.0 111.106 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.98 75.54 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.2 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.4 p 51.53 43.0 29.96 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.507 -178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.409 ' SD ' HD23 ' A' ' 31' ' ' LEU . 14.9 ttt -91.17 154.62 19.2 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -177.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.5 m -78.8 51.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.41 -6.29 38.57 Favored Glycine 0 CA--C 1.519 0.289 0 N-CA-C 114.296 0.479 . . . . 0.0 114.296 170.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.657 ' HB3' HG22 ' A' ' 66' ' ' THR . 27.7 p-80 -148.71 150.01 32.43 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 117.214 0.507 . . . . 0.0 111.495 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD23 ' SD ' ' A' ' 27' ' ' MET . 95.4 mt -92.16 165.18 13.27 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.01 175.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.9 p -85.91 166.06 16.28 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.504 -178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.27 -63.75 3.81 Favored Glycine 0 N--CA 1.451 -0.332 0 O-C-N 123.639 0.587 . . . . 0.0 112.768 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.13 -46.58 32.92 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.922 2.415 . . . . 0.0 113.061 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 35' ' ' GLN . 5.9 mt-30 -61.86 -43.1 99.53 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 117.674 0.215 . . . . 0.0 111.362 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.72 -48.13 80.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.066 0.46 . . . . 0.0 110.317 177.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -64.57 -30.61 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.4 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.586 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 80.2 m -59.28 -53.35 59.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.543 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.1 mt -66.51 -36.55 77.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.035 0.445 . . . . 0.0 110.413 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.9 mt -60.75 -45.1 95.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.516 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 86.6 mmm -67.62 -22.94 65.31 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.211 0.448 . . . . 0.0 112.211 -177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 38' ' ' THR . 72.9 mm-40 -67.7 -18.6 64.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.835 0.35 . . . . 0.0 111.025 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.1 t -69.43 -21.89 63.71 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.489 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.8 m 68.56 24.42 6.97 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.565 177.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.558 HD21 ' HG2' ' A' ' 81' ' ' MET . 77.5 mt -81.02 164.11 52.18 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.818 178.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.504 ' HD2' ' HB3' ' A' ' 45' ' ' LEU . 12.4 Cg_endo -57.97 128.78 30.21 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.736 2.29 . . . . 0.0 112.497 176.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.07 -34.23 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.691 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.6 -46.68 86.49 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.003 0.43 . . . . 0.0 110.739 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -66.34 -43.25 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.135 177.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.0 mt -58.88 -39.46 81.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.398 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.02 94.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.13 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.2 t -70.2 -45.69 66.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.008 178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 84.4 mt -58.75 -42.98 86.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -59.46 -50.95 71.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.849 0.357 . . . . 0.0 110.653 176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -58.37 -38.02 76.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.554 -178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.9 mt -73.54 -35.25 65.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.42 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 t -71.72 -48.04 49.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.024 -172.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -73.54 111.15 8.41 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.0 mm -81.0 -37.57 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.405 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 61' ' ' GLN . 18.0 t70 -79.61 -28.68 40.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.092 -177.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 60' ' ' ASP . 78.7 mt-30 70.59 37.97 1.37 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.782 0.801 . . . . 0.0 109.366 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -90.07 -31.59 17.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.446 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.73 26.95 5.12 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.141 -176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -140.91 -178.29 5.48 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD12 ' HB1' ' A' ' 36' ' ' ALA . 17.5 mt -144.42 116.95 8.59 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 122.989 0.181 . . . . 0.0 110.663 177.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.657 HG22 ' HB3' ' A' ' 30' ' ' HIS . 67.4 p -72.25 174.19 7.59 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 173.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.633 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.75 -53.59 53.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.083 0.468 . . . . 0.0 111.041 178.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.566 ' HB3' ' HB3' ' A' ' 96' ' ' PRO . 45.8 mt-10 -67.7 -29.01 68.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.039 -174.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.5 -42.99 61.13 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.065 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.538 ' O ' ' HD1' ' A' ' 70' ' ' PHE . 0.8 OUTLIER -63.01 -33.45 75.46 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.535 176.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.633 HG13 ' O ' ' A' ' 67' ' ' ALA . 63.2 mt -57.44 -47.82 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-O 121.106 0.479 . . . . 0.0 110.059 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 66.7 tp -59.3 -43.92 92.57 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.182 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.05 -48.88 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.63 176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.406 ' HA ' ' CE ' ' A' ' 74' ' ' MET . 3.3 mmt -58.05 -39.31 78.13 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.907 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.449 ' O ' HG23 ' A' ' 79' ' ' VAL . 68.8 t60 -65.31 -41.48 94.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 87.3 mt -69.3 -38.19 78.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.548 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 73' ' ' ALA . 32.0 mm -58.45 -46.52 89.54 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.118 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.672 176.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.94 -42.84 99.94 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.913 0.387 . . . . 0.0 110.597 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 75' ' ' HIS . 75.7 t -61.86 -48.97 86.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.855 177.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.1 98.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.274 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.558 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -60.42 -36.09 77.35 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.988 177.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 23.0 t -72.74 -18.57 61.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.3 27.86 10.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.256 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.467 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 79.4 mt-30 -103.34 144.39 28.55 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.6 Cg_exo -69.43 149.88 69.56 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.993 2.462 . . . . 0.0 113.024 -177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -102.94 146.92 33.31 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.846 177.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -77.86 154.41 30.0 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.443 2.096 . . . . 0.0 112.319 178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.41 -27.41 16.05 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.412 2.074 . . . . 0.0 111.765 176.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.7 m -132.22 147.97 32.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.566 177.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 16.8 tp -92.38 141.56 24.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.1 Cg_exo -77.11 153.43 32.09 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.741 2.294 . . . . 0.0 111.784 175.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 31.5 Cg_exo -60.15 -33.89 94.69 Favored 'Trans proline' 0 CA--C 1.529 0.237 0 C-N-CA 122.886 2.391 . . . . 0.0 112.483 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.85 -28.0 69.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.631 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -90.2 -4.39 57.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.444 -176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 48.6 mt -85.2 126.44 67.39 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.566 ' HB3' ' HB3' ' A' ' 68' ' ' GLU . 39.9 Cg_exo -57.22 153.19 41.1 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.931 2.421 . . . . 0.0 112.913 -176.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 35.8 Cg_exo -60.21 157.41 35.23 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.823 2.349 . . . . 0.0 111.91 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.5 m 71.74 -54.89 0.67 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.163 0.585 . . . . 0.0 111.269 -177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -71.75 -26.21 62.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 110.602 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -70.8 -11.1 60.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.258 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -92.05 72.21 5.52 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.86 109.18 17.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -144.08 -59.48 0.39 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.588 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.86 123.87 37.49 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.252 -176.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -95.83 88.15 4.86 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.056 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 60.8 m80 61.16 -177.2 0.11 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.992 -1.004 . . . . 0.0 112.669 177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -154.39 157.99 39.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.418 178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -127.44 111.75 14.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.948 0.404 . . . . 0.0 110.672 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -158.64 137.84 11.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.538 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -98.61 157.65 16.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.042 0.449 . . . . 0.0 110.889 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.448 -0.787 . . . . 0.0 110.136 178.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 8.8 Cg_endo . . . . . 0 N--CA 1.482 0.824 0 N-CA-C 110.667 -0.551 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 15.4 Cg_exo -69.34 109.29 2.19 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.819 2.346 . . . . 0.0 111.848 178.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.29 114.18 41.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.401 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.81 26.19 11.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.896 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -78.7 87.71 4.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.135 0.493 . . . . 0.0 111.137 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -77.83 139.02 39.27 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 172.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.92 13.88 0.34 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -174.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 5.0 p -117.01 126.76 27.21 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 172.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 53.4 Cg_exo -53.98 143.46 61.13 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 123.106 2.537 . . . . 0.0 112.961 -176.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.54 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 19.9 pt20 -66.51 -29.76 69.94 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.534 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -64.07 -43.15 96.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.521 0.2 . . . . 0.0 110.862 177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 p -72.03 -32.77 67.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.759 0.314 . . . . 0.0 110.819 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 78.9 mtp180 -61.0 -45.54 94.42 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.258 177.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 82.1 mt -58.63 -40.85 84.53 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.394 179.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -63.39 -49.21 74.71 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.588 -177.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.572 ' HB2' HG12 ' A' ' 71' ' ' ILE . 20.6 m-85 -79.0 -20.38 49.23 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.522 -177.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 0.7 OUTLIER -66.21 -29.31 69.55 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 170.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.59 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.5 mm100 -80.1 -12.69 59.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.316 -177.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.494 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.6 tp -156.76 40.53 0.34 Allowed 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.15 -172.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -37.01 -80.56 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 119.718 3.229 . . . . 0.0 119.718 59.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.59 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 27.6 t-20 -47.01 -45.92 21.51 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -153.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.494 ' HB2' HD12 ' A' ' 19' ' ' LEU . 25.4 m -59.89 -24.79 64.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 118.196 0.453 . . . . 0.0 111.758 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -93.19 -15.64 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 177.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.607 ' HA ' ' CB ' ' A' ' 27' ' ' MET . 39.0 t70 -89.9 -3.16 58.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.382 0.611 . . . . 0.0 110.943 -176.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -56.11 -35.71 67.37 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.417 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 26' ' ' THR . 10.9 m -118.54 9.18 12.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.51 0.672 . . . . 0.0 110.287 179.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.702 ' HG3' ' H ' ' A' ' 28' ' ' SER . 6.9 tpt -96.8 -166.72 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.883 -176.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.702 ' H ' ' HG3' ' A' ' 27' ' ' MET . 13.0 t -132.04 45.2 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 111.189 -173.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.01 7.76 87.5 Favored Glycine 0 C--N 1.329 0.18 0 C-N-CA 120.79 -0.719 . . . . 0.0 113.502 173.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.606 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.0 p-80 -168.3 148.86 4.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.737 0.303 . . . . 0.0 110.334 177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD23 ' HG2' ' A' ' 27' ' ' MET . 89.4 mt -99.33 163.43 12.54 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.338 175.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.5 p -98.68 169.57 9.39 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 121.028 -0.269 . . . . 0.0 110.709 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -50.83 -65.83 2.81 Favored Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.63 0.581 . . . . 0.0 113.593 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.17 -39.96 88.28 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.721 2.281 . . . . 0.0 112.912 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -69.49 -42.67 74.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.953 -178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.626 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -62.8 -45.41 92.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.009 0.433 . . . . 0.0 110.483 176.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -61.59 -29.95 70.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.914 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.9 m -61.5 -42.87 99.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.566 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 63.7 mt -73.34 -40.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.173 0.511 . . . . 0.0 109.932 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 86.5 mt -58.48 -36.43 73.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.169 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 22.9 ttt -64.65 -21.87 66.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.594 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -76.03 3.44 10.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.748 0.309 . . . . 0.0 111.572 -173.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 p -93.76 -11.59 31.04 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.289 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.3 m 63.35 23.84 13.94 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.436 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.8 mt -82.9 149.8 60.44 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.12 176.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -60.93 146.92 96.96 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.914 2.409 . . . . 0.0 111.829 177.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -58.84 -33.95 71.01 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.938 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.63 -46.88 77.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.081 177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.54 -36.78 65.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.526 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 71.1 mt -61.58 -44.62 96.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.015 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.69 87.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.926 0.394 . . . . 0.0 110.514 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 m -62.76 -49.56 74.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.797 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.536 HD13 HD12 ' A' ' 77' ' ' ILE . 88.3 mt -61.87 -42.04 93.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.672 178.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.428 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 51.9 t-105 -55.93 -54.08 49.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.496 177.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -66.47 -30.35 70.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.328 -176.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -73.12 -28.37 62.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.486 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -93.69 -54.49 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.219 -176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' CG ' ' H ' ' A' ' 62' ' ' ASP . 8.5 t70 -63.21 117.48 6.63 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.841 0.353 . . . . 0.0 110.45 -176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mm -69.72 -67.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.258 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -141.73 17.82 2.16 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.012 0.434 . . . . 0.0 111.69 -174.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.561 HE22 ' HG3' ' A' ' 69' ' ' GLU . 41.2 mt-30 -95.88 -42.53 8.27 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.693 -171.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 19.8 t70 57.02 23.47 8.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.641 177.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.96 22.33 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 119.971 -1.109 . . . . 0.0 114.072 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -149.3 133.3 17.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 117.394 0.597 . . . . 0.0 109.771 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.626 HD12 ' HB1' ' A' ' 36' ' ' ALA . 13.7 mt -118.7 115.3 24.21 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.749 0.309 . . . . 0.0 110.227 175.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.606 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.3 p -88.32 -169.11 2.43 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 177.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.89 90.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.72 0.295 . . . . 0.0 110.514 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.5 mp0 -65.42 -43.88 89.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.325 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HG3' HE22 ' A' ' 61' ' ' GLN . 5.1 mm-40 -73.0 -43.04 62.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.616 -173.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.5 ' CE2' ' HG3' ' A' ' 74' ' ' MET . 58.1 t80 -60.07 -45.01 94.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.966 -176.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 16' ' ' TYR . 74.3 mt -62.32 -40.48 88.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.745 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.6 tp -64.6 -53.14 52.34 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.505 178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.38 70.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.764 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.5 ' HG3' ' CE2' ' A' ' 70' ' ' PHE . 95.5 mmm -66.16 -27.95 68.4 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -175.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -71.07 -34.33 71.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 53' ' ' ILE . 95.5 mt -69.12 -35.49 76.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.801 175.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.536 HD12 HD13 ' A' ' 53' ' ' ILE . 1.4 mp -57.68 -42.69 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.462 175.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.8 -48.47 81.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.052 0.453 . . . . 0.0 110.686 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.444 HG12 ' HB2' ' A' ' 84' ' ' GLN . 52.5 t -62.71 -46.4 96.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.912 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.46 80.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.511 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -64.63 -20.38 66.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 121.069 0.461 . . . . 0.0 111.055 177.771 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.416 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 8.8 t -87.28 5.75 36.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.914 177.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.25 26.71 69.77 Favored Glycine 0 C--N 1.333 0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.335 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.444 ' HB2' HG12 ' A' ' 79' ' ' VAL . 28.1 mm-40 -89.87 144.05 31.01 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-O 120.585 0.231 . . . . 0.0 110.553 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 8.4 Cg_exo -73.22 138.41 27.67 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.961 2.441 . . . . 0.0 111.842 177.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 94.8 mt -91.76 143.94 28.65 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.291 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.4 Cg_exo -75.44 154.31 40.35 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 123.01 2.474 . . . . 0.0 112.084 178.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.41 -37.14 74.07 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.497 2.131 . . . . 0.0 112.013 177.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.4 m -136.25 142.36 38.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 109.898 176.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.2 tp -82.74 142.37 45.46 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 -178.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 16.5 Cg_exo -69.66 152.92 69.93 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.18 1.92 . . . . 0.0 111.842 176.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 24.7 Cg_exo -64.37 -19.13 65.19 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 123.08 2.52 . . . . 0.0 112.924 -177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -69.93 -24.74 63.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.131 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -94.48 -14.54 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.786 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 55.8 mt -81.37 124.95 80.05 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.81 152.8 40.41 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.584 2.189 . . . . 0.0 112.686 -176.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.05 143.73 99.67 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.874 2.382 . . . . 0.0 111.897 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.8 m 73.51 -22.56 0.23 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.268 0.627 . . . . 0.0 111.994 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -95.25 5.73 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.185 0.517 . . . . 0.0 110.051 175.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -77.49 6.18 7.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.685 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -132.67 117.11 17.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 176.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 32.7 t -122.62 95.94 3.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.042 -178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -124.28 84.59 2.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.193 0.52 . . . . 0.0 110.522 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -174.79 150.53 1.3 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.246 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -92.18 -46.13 7.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.596 177.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.6 t60 59.62 28.82 18.32 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.806 0.813 . . . . 0.0 109.714 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -119.74 32.83 5.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.646 -172.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -63.7 -15.38 58.29 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.411 -176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 -101.05 112.04 24.4 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -60.66 111.77 1.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.258 0.551 . . . . 0.0 112.329 -170.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 . . . . . 0 C--O 1.243 0.723 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.304 172.024 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo . . . . . 0 N--CA 1.478 0.597 0 N-CA-C 110.764 -0.514 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -80.96 -178.31 4.31 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.752 2.301 . . . . 0.0 111.804 176.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.5 t -84.85 103.6 12.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 69.76 163.97 0.25 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.982 0.801 . . . . 0.0 110.453 -173.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.17 68.24 8.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.25 0.548 . . . . 0.0 110.771 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -161.92 119.96 2.25 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.414 -0.812 . . . . 0.0 108.826 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.88 49.63 0.93 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 -171.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.642 HG13 ' HD3' ' A' ' 13' ' ' ARG . 7.6 p -140.13 130.79 14.04 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.724 173.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.552 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.1 Cg_endo -50.04 129.41 24.88 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.477 2.785 . . . . 0.0 113.197 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.6 -39.94 74.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.521 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 m -55.48 -45.43 76.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.942 0.401 . . . . 0.0 110.566 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.5 m -70.96 -34.04 71.05 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.56 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.642 ' HD3' HG13 ' A' ' 8' ' ' VAL . 20.1 mtm180 -62.6 -47.02 85.64 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.2 mt -64.73 -51.21 63.56 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.837 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -59.41 -41.78 90.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.19 -175.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.591 ' HD1' ' HE1' ' A' ' 70' ' ' PHE . 34.6 m-85 -98.45 -2.0 40.06 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.515 ' HG3' ' HB1' ' A' ' 67' ' ' ALA . 22.6 ttt180 -77.82 -27.74 50.09 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 162.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -78.56 -12.43 60.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 113.91 -1.495 . . . . 0.0 111.962 177.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.547 HD12 ' HB3' ' A' ' 22' ' ' SER . 14.1 tp -158.67 44.68 0.28 Allowed 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 114.899 -1.046 . . . . 0.0 108.686 -174.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -37.21 -80.7 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 119.142 3.015 . . . . 0.0 119.142 58.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 42.3 t-20 -47.26 -47.82 24.8 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -154.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.547 ' HB3' HD12 ' A' ' 19' ' ' LEU . 38.8 t -61.75 -23.23 66.03 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.035 -0.416 . . . . 0.0 111.995 -178.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -92.73 1.65 57.16 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -74.69 142.42 44.46 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 176.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' A' ' 28' ' ' SER . 45.8 pttt -61.99 -41.33 97.92 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.657 -0.247 . . . . 0.0 110.682 -179.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.5 m -170.89 -63.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 177.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.2 ttt -146.25 69.2 1.2 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.491 178.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.49 ' HB2' ' HE2' ' A' ' 25' ' ' LYS . 18.5 t -91.16 -50.47 5.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.831 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.93 -10.14 61.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.203 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.516 ' HB3' HG22 ' A' ' 66' ' ' THR . 23.0 p-80 -158.31 155.03 28.07 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.942 0.401 . . . . 0.0 110.41 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 98.1 mt -106.05 147.51 28.82 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.7 p -97.34 179.02 5.03 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.582 178.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.537 ' HA2' ' CH2' ' A' ' 54' ' ' TRP . . . -44.62 -64.82 1.95 Allowed Glycine 0 CA--C 1.522 0.51 0 O-C-N 123.751 0.657 . . . . 0.0 113.598 -178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -56.95 -47.52 22.72 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.553 2.169 . . . . 0.0 113.174 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -64.17 -44.39 92.21 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.831 0.348 . . . . 0.0 111.123 -176.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.586 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -64.63 -44.17 91.36 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.446 178.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.5 mtp180 -62.26 -30.42 71.1 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.527 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.41 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.1 m -61.04 -48.1 83.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.743 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 55.3 mt -73.16 -36.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.168 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 82.0 mt -59.58 -37.35 78.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.333 0.587 . . . . 0.0 110.64 175.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 27.8 ttt -66.73 -26.52 67.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.219 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.492 ' HA ' ' OE1' ' A' ' 42' ' ' GLN . 10.1 mm-40 -77.85 -9.27 58.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.159 -177.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.0 t -75.29 -14.85 60.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.344 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.4 m 69.85 21.3 6.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.325 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.99 149.61 40.38 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.067 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.483 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 51.7 Cg_endo -70.37 158.87 54.84 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.499 2.132 . . . . 0.0 112.221 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -61.46 -33.22 73.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.069 -177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.47 -44.62 72.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.954 0.407 . . . . 0.0 110.948 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.483 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.9 mm100 -73.49 -42.84 61.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.419 178.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 40' ' ' LEU . 77.5 mt -59.43 -41.57 89.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.682 -178.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.65 -40.83 92.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.935 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.8 t -63.15 -45.29 92.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.967 178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 85.2 mt -63.9 -45.7 96.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.744 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.537 ' CH2' ' HA2' ' A' ' 33' ' ' GLY . 52.0 t-105 -59.16 -50.3 74.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 110.722 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -36.18 76.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.194 -177.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.1 mt -74.18 -38.88 63.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.819 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 14.3 t -74.54 -54.53 7.32 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.856 -172.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -61.76 120.31 10.43 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.1 mm -66.12 -35.2 74.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.922 -174.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -119.38 -5.59 10.35 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.916 0.389 . . . . 0.0 111.452 -173.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 67.56 32.77 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.524 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -77.57 -34.13 53.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.786 -176.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.401 ' HA2' ' HZ2' ' A' ' 54' ' ' TRP . . . 108.02 32.89 3.15 Favored Glycine 0 N--CA 1.442 -0.954 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -175.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -136.02 148.73 48.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.779 0.323 . . . . 0.0 110.488 177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD12 ' HB1' ' A' ' 36' ' ' ALA . 26.7 mt -131.57 105.94 7.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.389 172.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 30' ' ' HIS . 45.0 p -73.13 -177.36 2.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.515 ' HB1' ' HG3' ' A' ' 17' ' ' ARG . . . -56.35 -52.83 63.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.997 0.427 . . . . 0.0 111.46 -177.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.548 ' HA ' HD12 ' A' ' 71' ' ' ILE . 45.8 mt-10 -69.22 -28.06 66.03 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.96 -177.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -74.16 -36.37 64.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.181 0.515 . . . . 0.0 109.826 177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' HE1' ' HD1' ' A' ' 16' ' ' TYR . 47.0 t80 -59.03 -40.69 85.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.869 174.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 68' ' ' GLU . 72.2 mt -60.12 -46.09 94.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.446 176.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.84 -47.18 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.721 178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.33 -45.92 87.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.018 178.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 15.9 mmt -64.84 -32.89 74.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.423 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.491 ' O ' HG23 ' A' ' 79' ' ' VAL . 84.1 t60 -66.25 -37.79 86.33 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.71 -38.47 76.95 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.142 177.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.13 -44.63 98.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.248 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -57.77 -44.61 86.31 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.988 177.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 75' ' ' HIS . 73.4 t -62.52 -44.96 99.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.662 176.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.83 -33.07 75.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.389 179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.25 -35.2 78.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.34 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.3 p -84.68 10.43 11.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.898 0.38 . . . . 0.0 111.083 177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.36 23.01 77.75 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 116.009 -0.541 . . . . 0.0 113.152 175.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.431 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . 28.0 mm-40 -92.65 144.43 28.66 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.73 146.21 37.98 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.603 2.202 . . . . 0.0 113.269 -176.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.1 mt -93.92 143.34 26.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.004 178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.7 Cg_endo -79.76 155.93 24.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.797 2.332 . . . . 0.0 112.742 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -75.35 -33.51 4.2 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.763 2.308 . . . . 0.0 111.062 175.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.3 t -124.36 149.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 17.8 tp -101.53 139.94 20.82 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -177.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.495 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.1 Cg_exo -79.54 152.95 23.34 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.706 2.271 . . . . 0.0 111.535 176.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.53 -29.24 77.79 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.313 2.675 . . . . 0.0 113.588 -176.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.55 -28.12 68.28 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.876 0.369 . . . . 0.0 110.818 -179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -95.86 -14.74 22.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.793 -177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 91' ' ' PRO . 59.9 mt -77.17 128.08 81.76 Favored Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 45.3 Cg_exo -56.86 152.59 41.98 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.39 2.06 . . . . 0.0 111.969 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 13.5 Cg_exo -69.41 158.66 56.61 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.873 2.382 . . . . 0.0 112.076 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.7 m 73.02 -54.32 0.7 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.781 0.675 . . . . 0.0 111.921 177.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -60.2 -15.39 23.96 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.838 0.351 . . . . 0.0 111.636 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -64.78 -56.96 10.33 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.541 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.6 mtt180 -135.1 58.78 1.75 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -174.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.7 m -115.47 10.04 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.436 0.636 . . . . 0.0 109.72 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' H ' ' HG2' ' A' ' 103' ' ' ARG . 11.5 ptm180 -90.25 124.53 34.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.266 -178.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.5 tp -115.98 94.4 4.65 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -128.47 114.87 17.34 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.593 -177.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -138.55 8.29 2.61 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.007 -179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -56.92 113.58 1.73 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.03 177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -143.43 165.14 28.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.798 0.332 . . . . 0.0 111.26 -173.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -123.61 168.19 12.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 171.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.1 m170 67.84 151.92 0.08 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.822 0.82 . . . . 0.0 112.999 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.11 170.54 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_endo . . . . . 0 N--CA 1.479 0.633 0 N-CA-C 110.245 -0.713 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -55.81 115.02 2.16 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.957 2.438 . . . . 0.0 112.671 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.7 t -106.63 122.22 60.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.313 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 69.95 4.4 4.77 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.766 175.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -95.61 106.4 18.49 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 t90 71.99 114.1 0.06 Allowed 'General case' 0 CA--C 1.532 0.266 0 O-C-N 124.316 1.01 . . . . 0.0 109.483 -172.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 93' ' ' GLU . . . -59.81 -29.29 68.13 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.783 1.031 . . . . 0.0 113.783 -168.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.402 HG22 ' HB3' ' A' ' 13' ' ' ARG . 7.7 p -63.11 120.9 65.55 Favored Pre-proline 0 C--O 1.235 0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.641 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.22 134.49 44.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.014 2.476 . . . . 0.0 112.611 -178.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.524 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 15.3 pt20 -51.58 -47.79 63.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.274 -176.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.1 m -59.69 -43.6 93.98 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.917 0.389 . . . . 0.0 110.777 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.487 ' O ' ' HB3' ' A' ' 15' ' ' LYS . 17.3 m -70.54 -41.42 72.52 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.6 ptt180 -72.96 -30.83 64.14 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.169 -174.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -66.39 -36.18 82.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.186 0.517 . . . . 0.0 110.278 173.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' SER . 80.9 tttt -60.22 -47.08 87.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.03 175.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.525 ' HD2' HG23 ' A' ' 71' ' ' ILE . 5.3 m-85 -74.79 -27.9 60.5 Favored 'General case' 0 C--O 1.222 -0.357 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.176 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.613 ' O ' ' HD2' ' A' ' 17' ' ' ARG . 1.7 tmm_? -65.07 -27.32 68.69 Favored 'General case' 0 C--O 1.223 -0.305 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 175.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -78.55 -13.22 59.93 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.994 -1.003 . . . . 0.0 112.266 -179.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.599 HD12 ' HB3' ' A' ' 22' ' ' SER . 8.5 tp -153.82 38.58 0.47 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.79 -173.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' CE1' ' HG ' ' A' ' 31' ' ' LEU . 19.4 t80 -34.77 -79.33 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 119.134 3.013 . . . . 0.0 119.134 61.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.522 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 2.1 t-20 -47.24 -47.76 24.54 Favored 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -154.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.599 ' HB3' HD12 ' A' ' 19' ' ' LEU . 24.1 t -64.28 -24.43 67.65 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -177.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.5 m-70 -92.0 -11.49 35.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.691 0.281 . . . . 0.0 110.964 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -94.89 145.94 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.075 0.464 . . . . 0.0 110.396 178.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.701 ' HG3' ' HG2' ' A' ' 27' ' ' MET . 14.2 ptpt -87.96 27.27 1.2 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.129 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.1 p 52.29 36.07 18.68 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.98 -1.009 . . . . 0.0 112.619 176.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.701 ' HG2' ' HG3' ' A' ' 25' ' ' LYS . 26.2 ptm -156.42 11.4 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.647 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.6 m -103.14 -52.24 3.08 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.651 -0.419 . . . . 0.0 110.725 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.83 -13.67 58.41 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.834 -0.698 . . . . 0.0 111.707 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.69 ' HB3' HG22 ' A' ' 66' ' ' THR . 17.8 p-80 -155.81 150.46 26.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 0.0 110.303 179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' HG ' ' CE1' ' A' ' 20' ' ' PHE . 85.3 mt -97.22 146.4 25.14 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 p -73.83 165.63 24.78 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.697 -178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' N ' ' HD2' ' A' ' 34' ' ' PRO . . . -47.61 -62.9 3.75 Favored Glycine 0 N--CA 1.452 -0.283 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.521 174.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 33' ' ' GLY . 10.2 Cg_endo -51.32 -46.45 31.29 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.903 2.402 . . . . 0.0 112.803 177.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -58.64 -52.35 66.03 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.738 0.304 . . . . 0.0 111.081 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -56.82 -47.22 80.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.821 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.512 ' O ' ' HG2' ' A' ' 41' ' ' MET . 23.9 mtm180 -67.92 -37.28 81.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.891 -177.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 89.8 m -62.11 -41.35 98.13 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -70.04 -38.42 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.266 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 58.6 mt -60.31 -43.73 96.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.188 177.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 93.6 mmm -61.12 -24.41 66.23 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.487 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 38' ' ' THR . 15.3 mm-40 -70.08 -10.25 58.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.712 -176.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -77.01 -16.3 59.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.724 0.297 . . . . 0.0 110.214 177.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.8 m 68.22 13.3 9.04 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.064 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.9 mt -80.91 148.14 63.83 Favored Pre-proline 0 N--CA 1.454 -0.255 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.127 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 31.8 Cg_endo -65.62 156.04 65.88 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.688 2.259 . . . . 0.0 112.761 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -30.77 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.114 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.93 -42.44 80.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.539 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.7 mm100 -73.72 -45.0 54.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.02 177.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.6 mt -58.96 -45.24 90.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.791 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.65 95.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.28 -47.31 77.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.466 HG23 HD12 ' A' ' 76' ' ' LEU . 87.3 mt -62.84 -42.1 95.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.4 t-105 -60.27 -50.19 74.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.803 0.335 . . . . 0.0 110.53 178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -60.6 -33.89 73.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.195 0.522 . . . . 0.0 110.538 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' A' ' 90' ' ' LEU . 80.3 mt -73.3 -37.93 66.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.375 176.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.516 ' HA ' HD23 ' A' ' 72' ' ' LEU . 23.0 t -79.26 -42.76 25.12 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.882 -173.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -81.98 99.31 9.04 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.53 HG21 ' HB3' ' A' ' 99' ' ' PHE . 4.2 mp -74.88 -26.19 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.501 -171.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -117.56 5.6 12.44 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 46.72 45.76 14.73 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.108 -0.951 . . . . 0.0 111.317 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -85.72 -19.83 30.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.58 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 87.33 17.83 58.25 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.547 -0.835 . . . . 0.0 112.722 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -137.27 151.62 48.89 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.563 HD12 ' HB1' ' A' ' 36' ' ' ALA . 24.9 mt -122.87 109.33 14.04 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.623 0.249 . . . . 0.0 110.88 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 30' ' ' HIS . 45.3 p -71.35 -174.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -59.77 -53.7 54.95 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.783 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -62.14 -36.82 82.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.444 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -72.01 -43.51 64.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.945 0.403 . . . . 0.0 110.216 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.644 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 52.7 t80 -63.81 -37.18 86.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.447 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.525 HG23 ' HD2' ' A' ' 16' ' ' TYR . 58.3 mt -55.82 -45.93 79.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.617 176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 57' ' ' SER . 65.4 tp -61.57 -48.08 82.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.876 179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.63 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.72 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.644 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 2.0 mmt -63.28 -33.13 74.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.348 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' O ' HG23 ' A' ' 79' ' ' VAL . 74.6 t60 -69.14 -39.89 78.57 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.114 179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.466 HD12 HG23 ' A' ' 53' ' ' ILE . 99.1 mt -64.07 -36.19 83.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.164 176.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mm -60.66 -50.8 78.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.561 174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -57.41 -43.84 84.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.919 0.39 . . . . 0.0 110.582 -178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 84' ' ' GLN . 95.9 t -63.05 -47.98 90.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.126 178.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.529 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -66.08 -27.87 68.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.949 0.404 . . . . 0.0 111.072 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 76.4 mmm -67.86 -23.33 65.12 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.267 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -87.48 -0.27 56.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.127 0.489 . . . . 0.0 110.195 177.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.4 7.69 63.32 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.9 -0.667 . . . . 0.0 113.031 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.483 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 15.7 mm100 -75.92 144.02 75.35 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.731 0.265 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 7.1 Cg_exo -74.17 133.9 18.56 Favored 'Trans proline' 0 C--O 1.237 0.444 0 C-N-CA 122.682 2.255 . . . . 0.0 112.066 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 80' ' ' ALA . 91.9 mt -81.43 143.41 51.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.291 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 72.8 Cg_endo -82.8 154.03 15.17 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.527 2.151 . . . . 0.0 112.258 177.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 6.7 Cg_exo -75.19 -30.54 6.8 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 176.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 t -127.99 151.19 34.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.12 -0.946 . . . . 0.0 109.002 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.416 ' HB2' HD22 ' A' ' 56' ' ' LEU . 21.1 tp -99.28 142.25 24.28 Favored Pre-proline 0 C--N 1.32 -0.711 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 11.8 Cg_exo -72.87 153.3 53.04 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.596 2.197 . . . . 0.0 111.784 175.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.488 ' HA ' HD12 ' A' ' 95' ' ' ILE . 27.6 Cg_exo -62.52 -27.4 76.77 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 123.046 2.497 . . . . 0.0 113.059 -175.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 7' ' ' ALA . 42.5 mp0 -66.18 -26.55 67.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.137 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -93.24 -4.72 51.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.164 -178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 92' ' ' PRO . 69.4 mt -86.38 125.68 66.93 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.58 154.54 64.28 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 122.887 2.391 . . . . 0.0 112.088 179.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_endo -62.15 157.5 44.3 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.693 2.262 . . . . 0.0 112.124 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.0 m 75.01 -27.83 0.19 Allowed 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.573 0.749 . . . . 0.0 111.654 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.53 ' HB3' HG21 ' A' ' 59' ' ' ILE . 94.9 m-85 -91.24 -0.52 57.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.018 0.437 . . . . 0.0 110.241 175.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -82.48 -47.19 12.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.952 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -162.33 148.84 13.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.542 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 61.2 t 69.45 91.25 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 123.763 0.664 . . . . 0.0 110.975 177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -89.22 -38.76 14.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 105' ' ' GLU . 2.6 pp -144.95 -43.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.895 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.561 ' N ' HD12 ' A' ' 104' ' ' LEU . 7.6 tp10 57.84 104.09 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.537 0.684 . . . . 0.0 110.938 -173.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -104.84 16.38 26.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.344 -178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -109.9 109.87 20.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.787 178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 56.3 m170 -73.24 105.68 4.75 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -75.24 103.69 5.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.08 -170.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -102.21 179.26 4.37 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 172.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.62 -0.705 . . . . 0.0 110.211 -179.541 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 1.8 Cg_endo . . . . . 0 N--CA 1.476 0.478 0 N-CA-C 110.96 -0.438 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 21.7 Cg_exo -66.78 128.91 19.79 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.889 2.393 . . . . 0.0 111.695 177.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.31 15.06 8.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.885 0.85 . . . . 0.0 109.666 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.84 79.6 0.22 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.63 -1.168 . . . . 0.0 111.144 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -170.05 157.8 6.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.774 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -69.94 126.53 29.95 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.14 29.69 0.09 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.5 p -122.57 132.53 24.25 Favored Pre-proline 0 C--N 1.318 -0.77 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.421 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 50.7 Cg_exo -53.76 146.96 42.66 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.998 2.465 . . . . 0.0 112.473 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.57 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 48.7 tt0 -62.54 -42.7 99.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.08 -174.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 m -59.66 -38.02 80.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.981 0.42 . . . . 0.0 110.193 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -71.87 -38.6 70.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.589 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.57 ' HD3' ' HA ' ' A' ' 10' ' ' GLN . 28.9 mtp180 -55.3 -50.83 68.56 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.64 -39.61 91.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.188 177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -58.98 -48.0 83.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.704 -0.68 . . . . 0.0 112.118 -178.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.536 ' HB2' HG23 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.01 -25.48 29.91 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.221 -178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.0 ttt85 -69.72 -24.77 63.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 3.8 mt-30 -72.35 -14.01 61.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.023 -0.989 . . . . 0.0 111.814 176.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.574 ' O ' ' HE2' ' A' ' 70' ' ' PHE . 8.4 tp -155.46 43.79 0.45 Allowed 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.288 -170.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.522 ' CZ ' ' HG ' ' A' ' 31' ' ' LEU . 0.2 OUTLIER -40.19 -77.23 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 120.507 3.521 . . . . 0.0 120.507 58.483 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 25.2 t-20 -46.47 -36.68 6.88 Favored 'General case' 0 N--CA 1.485 1.315 0 N-CA-C 115.505 1.668 . . . . 0.0 115.505 -150.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.451 ' HB2' HD12 ' A' ' 19' ' ' LEU . 46.2 m -57.99 -24.28 57.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.006 0.821 . . . . 0.0 111.787 176.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -102.43 -12.64 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.965 -178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.455 ' HB2' ' HD2' ' A' ' 20' ' ' PHE . 23.8 t70 -82.61 130.14 35.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.697 -177.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.38 20.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.38 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.1 t -133.45 -174.27 3.46 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 -175.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 28.1 ttt -98.26 125.38 43.32 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.7 m 75.89 84.83 0.09 Allowed 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -63.91 83.71 0.05 OUTLIER Glycine 0 N--CA 1.441 -0.984 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.069 -175.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.615 ' HB3' HG22 ' A' ' 66' ' ' THR . 4.1 p-80 -126.33 138.9 53.63 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 120.813 0.339 . . . . 0.0 110.766 168.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 20' ' ' PHE . 91.7 mt -103.53 160.72 14.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.88 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 54.8 p -86.32 174.52 8.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.767 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.82 -64.13 4.51 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.845 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -53.39 -41.59 71.83 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.762 2.308 . . . . 0.0 112.789 178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -55.62 -53.54 55.23 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.823 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.582 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -59.83 -50.49 73.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.779 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -62.91 -34.73 78.04 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.807 -175.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.423 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 95.5 m -66.02 -47.26 75.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.627 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.04 -38.25 80.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.037 0.446 . . . . 0.0 110.167 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 57.8 mt -55.43 -45.7 76.75 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.306 177.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.9 ttt -73.02 -28.16 62.19 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.454 -176.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 38' ' ' THR . 74.0 mt-30 -80.07 7.57 8.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 25.7 m -80.4 -86.22 0.08 Allowed 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.408 -0.517 . . . . 0.0 109.89 175.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 43.4 m -175.46 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.119 0.568 . . . . 0.0 111.231 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -105.97 145.7 31.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 O-C-N 122.131 -0.356 . . . . 0.0 111.738 -169.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.477 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 83.8 Cg_endo -79.07 171.02 16.98 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.93 2.42 . . . . 0.0 112.349 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -57.55 -31.53 66.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.795 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.39 80.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 111.163 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -72.8 -39.23 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.48 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 46' ' ' PRO . 79.4 mt -58.57 -41.04 84.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -178.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.99 -45.09 90.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.712 0.291 . . . . 0.0 111.001 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.6 t -67.89 -42.73 80.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.57 -178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.45 HD13 HD13 ' A' ' 77' ' ' ILE . 82.8 mt -66.07 -42.65 91.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.747 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 52.1 t-105 -61.9 -47.88 82.98 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -52.16 -41.64 62.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.315 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.5 mt -73.89 -41.53 62.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.939 178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.1 t -77.72 -36.57 50.81 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -171.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.35 85.14 2.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.256 0.551 . . . . 0.0 109.554 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.583 HG21 ' HB3' ' A' ' 99' ' ' PHE . 36.9 mm -72.28 -45.24 61.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.952 -172.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -89.17 11.35 18.92 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.003 -175.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 43.99 38.17 2.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.969 0.908 . . . . 0.0 112.05 178.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -110.93 -7.95 14.53 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.307 -175.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 79.31 27.5 55.19 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.845 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.8 mttt -137.09 127.3 26.27 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.582 HD12 ' HB1' ' A' ' 36' ' ' ALA . 20.0 mt -101.74 113.11 26.0 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.84 0.352 . . . . 0.0 110.58 -177.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.615 HG22 ' HB3' ' A' ' 30' ' ' HIS . 67.7 p -75.02 176.1 7.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.781 175.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -54.27 -53.28 55.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.607 0.241 . . . . 0.0 111.395 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.0 mp0 -61.59 -35.8 78.88 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.463 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -73.66 -43.14 60.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.923 0.392 . . . . 0.0 110.235 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HE2' ' O ' ' A' ' 19' ' ' LEU . 65.2 t80 -64.54 -39.57 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.559 179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' A' ' 16' ' ' TYR . 89.7 mt -60.34 -43.08 92.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-O 121.061 0.457 . . . . 0.0 110.111 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' A' ' 90' ' ' LEU . 63.8 tp -61.54 -46.46 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.257 176.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.486 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -58.06 -47.83 81.96 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.332 178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 74' ' ' MET . 30.8 mmt -59.18 -37.6 77.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.909 178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.469 ' O ' HG23 ' A' ' 79' ' ' VAL . 80.3 t60 -68.64 -39.14 80.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.329 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -65.04 -36.07 83.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.846 0.355 . . . . 0.0 110.122 176.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.514 ' O ' ' HB2' ' A' ' 81' ' ' MET . 27.3 mm -56.52 -51.07 69.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.726 176.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -64.06 -38.37 90.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 -176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 75' ' ' HIS . 91.9 t -63.03 -49.41 83.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.847 0.356 . . . . 0.0 110.649 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.79 -33.19 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.846 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.514 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -61.53 -28.68 69.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.465 175.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -79.86 -11.38 59.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.177 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.95 6.65 55.95 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.774 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HB2' HG12 ' A' ' 79' ' ' VAL . 15.2 mm100 -82.92 143.58 46.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.591 0.234 . . . . 0.0 110.758 -178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.33 150.1 22.21 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.474 2.116 . . . . 0.0 112.248 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.502 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 77.2 mt -110.54 143.45 28.17 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.472 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.5 Cg_exo -75.63 154.48 39.6 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 123.043 2.495 . . . . 0.0 112.134 178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -70.21 -29.91 21.02 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.462 2.108 . . . . 0.0 111.597 175.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.4 136.82 54.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.536 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.449 ' CD2' HD21 ' A' ' 72' ' ' LEU . 22.0 tp -92.8 141.2 24.05 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -176.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.519 ' O ' HG13 ' A' ' 95' ' ' ILE . 25.6 Cg_exo -65.53 152.66 81.17 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.451 2.101 . . . . 0.0 111.951 174.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 17.2 Cg_exo -67.49 -22.84 44.38 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.874 2.382 . . . . 0.0 112.773 -175.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -71.92 -14.56 61.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -102.89 -19.87 14.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.417 177.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 91' ' ' PRO . 37.6 mt -83.26 123.81 76.74 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.061 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.3 Cg_endo -60.68 153.17 63.9 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 122.296 1.998 . . . . 0.0 111.905 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 27.8 Cg_exo -62.55 152.86 75.17 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.91 2.407 . . . . 0.0 112.094 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 m 73.3 -40.84 0.48 Allowed 'General case' 0 CA--C 1.536 0.422 0 O-C-N 123.918 0.761 . . . . 0.0 111.742 178.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.583 ' HB3' HG21 ' A' ' 59' ' ' ILE . 88.5 m-85 -67.04 -19.38 65.67 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.139 0.495 . . . . 0.0 110.831 176.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -61.99 -42.49 99.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.095 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.5 ttp180 50.05 86.02 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.927 0.891 . . . . 0.0 113.089 172.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.5 m -99.92 118.94 47.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.337 0.589 . . . . 0.0 109.859 172.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 103' ' ' ARG . 7.9 tpt180 -141.2 40.65 1.78 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.969 -175.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 46.3 tp -75.62 95.73 3.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.312 0.577 . . . . 0.0 111.006 -177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.49 153.11 39.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 65.8 m80 62.02 80.69 0.22 Allowed 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.55 0.531 . . . . 0.0 110.405 -176.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -126.7 97.71 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.103 0.478 . . . . 0.0 111.374 -178.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 61.6 m-70 -140.72 -57.81 0.52 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 17.6 t60 60.64 -88.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.442 -1.254 . . . . 0.0 112.381 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -175.52 133.36 0.29 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.679 0.276 . . . . 0.0 110.766 -174.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 . . . . . 0 C--O 1.241 0.642 0 CA-C-O 118.499 -0.762 . . . . 0.0 108.998 169.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_endo . . . . . 0 N--CA 1.478 0.586 0 N-CA-C 110.379 -0.662 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -79.34 108.15 2.29 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.813 2.342 . . . . 0.0 113.234 -176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 85.6 t 65.82 122.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 115.194 -0.912 . . . . 0.0 113.212 176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.54 146.74 16.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.446 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -88.47 9.91 22.02 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.835 -178.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -85.16 116.77 23.71 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.12 4.82 11.47 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 113.137 0.791 . . . . 0.0 113.137 -170.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 p -83.16 125.55 74.36 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.29 149.34 37.57 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.677 2.251 . . . . 0.0 112.75 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -61.71 -37.15 83.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.167 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -63.91 -42.69 97.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.527 176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.0 m -62.78 -44.47 96.1 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.71 178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -54.26 -54.23 42.86 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.7 mt -59.41 -37.35 77.8 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 123.536 0.522 . . . . 0.0 111.591 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -58.07 -49.44 76.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.039 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.07 -15.92 27.12 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.498 -0.481 . . . . 0.0 110.192 -179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 17' ' ' ARG . 23.6 ttt85 -68.84 -25.64 64.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 174.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -73.44 -14.8 61.31 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.27 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' HB2' ' A' ' 22' ' ' SER . 10.4 tp -156.85 40.13 0.33 Allowed 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.354 -169.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -36.94 -83.87 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 119.423 3.12 . . . . 0.0 119.423 60.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.08 -42.64 29.3 Favored 'General case' 0 N--CA 1.483 1.197 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -151.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.496 ' HB2' HD12 ' A' ' 19' ' ' LEU . 28.3 m -61.67 -30.95 71.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.379 0.536 . . . . 0.0 111.662 -178.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -89.64 -26.67 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.052 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -66.56 129.76 40.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.283 0.563 . . . . 0.0 111.122 -176.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -131.53 11.93 4.91 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.934 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 m -122.9 -4.73 8.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.213 -175.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 62.9 mtt 66.77 80.18 0.22 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.368 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 75.0 m 59.96 51.73 5.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.076 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.15 24.97 25.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.075 177.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.616 ' HB3' HG22 ' A' ' 66' ' ' THR . 7.1 p-80 52.95 169.04 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.888 1.275 . . . . 0.0 112.836 -176.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 95.1 mt -106.88 160.27 15.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.69 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.6 p -87.37 168.91 12.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.107 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.92 -63.63 4.62 Favored Glycine 0 CA--C 1.519 0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 113.132 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.75 -45.75 30.46 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.8 2.333 . . . . 0.0 113.054 178.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -61.77 -48.4 80.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.728 0.299 . . . . 0.0 110.833 -179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.631 ' O ' ' HG ' ' A' ' 40' ' ' LEU . . . -57.8 -48.35 79.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.673 177.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 41' ' ' MET . 87.0 mtt180 -64.18 -36.35 83.77 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.541 -178.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.4 m -63.42 -45.92 88.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.2 mt -67.37 -33.68 64.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.276 0.56 . . . . 0.0 110.06 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 59.1 mt -59.08 -41.55 88.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.062 175.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 37' ' ' ARG . 67.7 mtt -66.71 -21.42 66.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.832 -177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -66.54 -14.8 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.439 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.3 p -85.71 -15.77 41.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.381 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m 64.98 16.6 10.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.472 -177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 97.1 mt -74.38 151.92 87.73 Favored Pre-proline 0 C--O 1.236 0.352 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.888 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.8 142.21 83.81 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.056 2.504 . . . . 0.0 112.257 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -32.01 68.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.621 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.54 -51.12 71.22 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 110.577 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.423 ' O ' HG13 ' A' ' 53' ' ' ILE . 12.9 mm100 -59.83 -47.0 87.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.308 176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 72.9 mt -58.43 -41.98 86.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.538 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.62 -43.68 92.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.855 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -63.94 -44.29 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.822 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.714 HD13 HD12 ' A' ' 77' ' ' ILE . 95.7 mt -61.27 -46.07 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.836 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.9 t-105 -60.25 -49.69 76.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.41 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -58.05 -36.38 72.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.714 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' ' 90' ' ' LEU . 55.5 mt -74.22 -39.08 63.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.862 177.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -77.43 -39.66 46.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.754 -174.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.749 ' OD2' ' HA ' ' A' ' 61' ' ' GLN . 16.6 t70 -68.75 103.26 1.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.6 mm -67.52 -65.52 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.499 -0.773 . . . . 0.0 112.788 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -113.22 21.25 15.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.324 0.583 . . . . 0.0 110.963 -172.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.749 ' HA ' ' OD2' ' A' ' 58' ' ' ASP . 69.8 mt-30 68.39 85.9 0.14 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.382 177.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -133.42 -26.93 1.6 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.233 175.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.44 24.87 66.96 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.936 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -138.03 128.68 26.67 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.5 mt -94.6 115.29 27.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.896 0.379 . . . . 0.0 110.991 -175.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.616 HG22 ' HB3' ' A' ' 30' ' ' HIS . 81.5 p -76.29 -170.32 1.43 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.069 173.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.44 -53.45 42.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.672 0.272 . . . . 0.0 111.15 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.33 -34.46 78.19 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.59 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -73.41 -41.1 63.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.936 0.398 . . . . 0.0 110.091 -178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -62.65 -40.96 98.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.472 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.15 -44.43 91.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.526 177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 65.2 tp -63.08 -49.57 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.698 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.63 -53.97 51.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.942 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.435 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 11.9 mtp -68.85 -19.85 64.27 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.68 -177.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -72.52 -38.09 68.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 174.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.52 HD12 HG23 ' A' ' 53' ' ' ILE . 97.6 mt -64.53 -41.66 96.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.595 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.714 HD12 HD13 ' A' ' 53' ' ' ILE . 1.6 mp -59.9 -44.06 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 173.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -63.69 -40.36 96.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.75 -175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.3 t -73.79 -44.67 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.925 178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.83 -29.95 70.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.797 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.532 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -59.92 -17.56 38.48 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.246 176.009 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.6 m -84.5 -1.81 56.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.405 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.82 -7.6 59.24 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.844 -0.693 . . . . 0.0 113.279 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 13.4 mm100 -92.74 144.32 28.42 Favored Pre-proline 0 N--CA 1.449 -0.501 0 CA-C-O 120.727 0.298 . . . . 0.0 111.308 -177.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 6.4 Cg_exo -74.85 174.53 12.58 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.103 2.535 . . . . 0.0 112.525 178.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.6 mt -120.55 154.58 56.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.916 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 31.4 Cg_exo -61.76 153.88 64.6 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.138 2.559 . . . . 0.0 112.488 177.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.87 -31.81 23.98 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.684 2.256 . . . . 0.0 112.407 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 31.6 m -127.08 152.04 34.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.76 177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB2' HD22 ' A' ' 56' ' ' LEU . 19.2 tp -83.71 140.78 41.04 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 -178.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 6.4 Cg_exo -76.73 154.81 34.77 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 122.765 2.31 . . . . 0.0 112.136 175.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.86 -21.3 71.97 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.91 2.407 . . . . 0.0 112.749 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.18 -15.05 61.03 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -108.75 10.45 26.73 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.275 -178.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.6 HG22 ' HB3' ' A' ' 100' ' ' ARG . 47.2 mt -89.25 117.77 68.53 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.83 151.34 84.67 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.586 2.19 . . . . 0.0 112.492 -175.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -65.95 -36.09 32.09 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.844 2.363 . . . . 0.0 111.561 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.0 m -73.24 0.77 10.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.73 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.07 -36.72 1.31 Allowed 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.6 ' HB3' HG22 ' A' ' 95' ' ' ILE . 12.4 ptm180 -62.22 -33.4 74.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.66 0.267 . . . . 0.0 110.929 -178.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -172.85 91.53 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.876 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 7.8 p -116.99 5.04 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.941 0.877 . . . . 0.0 110.289 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -132.3 -172.21 2.84 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.421 -176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.6 tt 72.39 106.19 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 124.31 1.006 . . . . 0.0 109.719 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -87.87 164.72 15.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.799 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -63.77 116.0 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -136.93 139.59 41.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.252 -176.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -73.33 130.58 40.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.648 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -169.74 100.99 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.711 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -124.31 127.95 48.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.274 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.6 p80 . . . . . 0 C--O 1.245 0.845 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.558 177.716 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.475 0.437 0 N-CA-C 110.448 -0.635 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_endo -61.8 124.91 15.42 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.706 2.271 . . . . 0.0 111.796 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 p -69.1 121.52 18.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.554 0.692 . . . . 0.0 110.967 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -132.13 25.53 4.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.024 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.42 ' O ' ' HB3' ' A' ' 6' ' ' TRP . 6.3 mm-40 71.24 145.02 0.06 Allowed 'General case' 0 C--O 1.235 0.341 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.547 -174.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.42 ' HB3' ' O ' ' A' ' 5' ' ' GLU . 20.2 t90 74.61 118.09 0.05 Allowed 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.444 0.64 . . . . 0.0 111.016 174.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.46 65.68 7.7 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -170.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.63 124.55 24.23 Favored Pre-proline 0 C--N 1.316 -0.866 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.119 167.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.6 135.82 48.75 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.867 2.378 . . . . 0.0 112.393 -177.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.563 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 7.0 tt0 -56.37 -48.67 76.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.143 -176.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.2 m -60.26 -35.42 75.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -178.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.4 m -75.19 -45.89 37.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.563 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 16.2 ptm180 -67.35 -31.73 72.17 Favored 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.057 -175.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.9 mt -63.7 -39.33 94.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.986 0.422 . . . . 0.0 110.85 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -61.04 -39.53 90.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.63 178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' HD2' HG23 ' A' ' 71' ' ' ILE . 4.5 m-85 -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.268 -0.573 . . . . 0.0 109.952 178.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.56 ' HB2' HD11 ' A' ' 71' ' ' ILE . 20.6 ttt180 -63.78 -24.36 67.73 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 174.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.583 ' HA ' ' HB3' ' A' ' 21' ' ' ASN . 5.0 mt-30 -72.42 -14.08 61.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.024 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.534 HD12 ' HB2' ' A' ' 22' ' ' SER . 12.6 tp -155.61 38.46 0.38 Allowed 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.292 -172.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' HE2' ' H ' ' A' ' 28' ' ' SER . 4.2 t80 -35.62 -81.41 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 119.738 3.236 . . . . 0.0 119.738 61.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.583 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 26.5 t-20 -47.44 -40.9 19.18 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 115.235 1.568 . . . . 0.0 115.235 -154.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.534 ' HB2' HD12 ' A' ' 19' ' ' LEU . 45.1 m -61.42 -23.35 65.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.389 0.54 . . . . 0.0 111.757 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -94.8 -2.75 50.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.087 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -101.6 162.61 12.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -103.88 -23.55 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.809 0.337 . . . . 0.0 110.528 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.7 p -139.75 -79.0 0.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.449 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttm -170.9 122.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.082 178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.576 ' H ' ' HE2' ' A' ' 20' ' ' PHE . 44.7 m 65.69 39.75 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.639 0.587 . . . . 0.0 112.201 172.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.4 7.64 71.55 Favored Glycine 0 CA--C 1.519 0.315 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.556 ' HB3' HG22 ' A' ' 66' ' ' THR . 9.2 p-80 60.45 146.5 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.831 1.652 . . . . 0.0 113.914 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.1 mt -109.7 145.12 37.09 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.497 -1.229 . . . . 0.0 109.491 177.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 p -85.47 166.29 16.46 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.336 -177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.55 -63.22 2.85 Favored Glycine 0 CA--C 1.522 0.485 0 CA-C-N 115.694 -0.684 . . . . 0.0 113.686 178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -49.38 -47.43 22.42 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.724 2.282 . . . . 0.0 113.031 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -61.56 -46.8 88.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.026 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.21 -47.61 82.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.547 177.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 40.1 mtm105 -64.36 -35.41 80.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.501 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.1 m -61.84 -40.63 95.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.951 0.405 . . . . 0.0 110.496 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.412 HG21 ' HZ ' ' A' ' 70' ' ' PHE . 60.4 mt -74.44 -34.6 36.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.966 0.413 . . . . 0.0 110.434 176.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 71.9 mt -60.13 -40.35 89.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.674 175.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 89.5 mmm -64.18 -18.83 64.86 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.874 -179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -69.83 -12.23 61.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.262 -177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.2 p -75.41 -21.06 58.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.137 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 t 67.63 16.23 9.82 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.489 -178.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt -85.93 156.83 57.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.52 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HG2' ' HG2' ' A' ' 49' ' ' GLN . 20.0 Cg_endo -61.74 147.87 94.34 Favored 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.853 2.369 . . . . 0.0 112.681 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -58.0 -31.04 66.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.974 -178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -43.74 74.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.935 0.398 . . . . 0.0 110.619 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' HG2' ' HG2' ' A' ' 46' ' ' PRO . 14.1 mm100 -73.5 -42.3 62.01 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.096 178.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 98.4 mt -58.98 -47.79 83.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.379 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.67 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.745 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.4 t -63.85 -40.84 97.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.397 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.4 mt -68.17 -43.34 85.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.174 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.7 t-105 -59.21 -49.59 77.25 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.119 0.485 . . . . 0.0 110.361 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -59.19 -35.87 74.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.904 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.7 mt -75.14 -30.87 60.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.737 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 22.7 t -68.32 -50.99 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.597 -173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -92.77 119.46 32.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.201 0.524 . . . . 0.0 109.858 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 59' ' ' ILE . 3.4 mp -71.88 -34.9 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.251 -175.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -108.87 -13.53 14.74 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.58 -175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 66.28 54.31 0.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.151 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -89.93 -22.88 21.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 104.27 1.83 44.51 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.474 -0.87 . . . . 0.0 114.21 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 8.9 mptt -117.84 138.05 52.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.702 0.751 . . . . 0.0 110.22 178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 69' ' ' GLU . 18.8 mt -112.23 106.69 15.34 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.213 179.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 30' ' ' HIS . 17.5 p -83.77 -163.89 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 172.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.33 -53.18 61.24 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -64.04 -38.86 92.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.673 0.273 . . . . 0.0 111.575 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.561 ' HB3' HD22 ' A' ' 65' ' ' LEU . 2.0 mp0 -73.45 -41.91 62.62 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.961 0.41 . . . . 0.0 110.478 -175.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 56.9 t80 -68.91 -39.88 79.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.742 -178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 17' ' ' ARG . 61.5 mt -58.92 -38.61 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.431 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 57.2 tp -61.13 -50.63 72.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.277 177.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.2 -50.18 74.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.197 -179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -60.11 -38.15 82.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.309 179.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -69.79 -34.67 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.202 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 98.6 mt -67.94 -39.82 83.39 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 175.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.414 ' O ' ' HB2' ' A' ' 81' ' ' MET . 30.5 mm -58.82 -44.43 90.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.195 174.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -56.73 -41.29 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.028 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.2 t -74.58 -43.73 47.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.978 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.82 -33.46 76.03 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 -178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -58.66 -26.22 63.58 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 111.257 178.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.449 ' HB3' ' HG2' ' A' ' 84' ' ' GLN . 22.8 t -75.46 -13.21 60.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.978 0.418 . . . . 0.0 110.688 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.83 25.69 21.83 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.532 -176.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 14.4 mm100 -93.79 144.51 28.28 Favored Pre-proline 0 N--CA 1.447 -0.586 0 CA-C-O 120.606 0.241 . . . . 0.0 110.783 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 15.7 Cg_exo -69.21 151.75 72.19 Favored 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 122.985 2.457 . . . . 0.0 112.152 177.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.4 mt -94.85 144.33 27.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.082 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 8.3 Cg_exo -72.37 153.68 55.86 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.67 2.246 . . . . 0.0 111.965 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.86 -39.09 15.34 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.697 2.265 . . . . 0.0 111.77 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.83 157.47 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.526 176.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.17 140.81 49.5 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 4.8 Cg_exo -78.17 153.71 28.39 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.535 2.157 . . . . 0.0 111.959 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.534 ' HA ' HD12 ' A' ' 95' ' ' ILE . 51.9 Cg_exo -57.19 -28.08 77.67 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.989 2.459 . . . . 0.0 112.286 178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -60.18 -40.94 91.74 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.936 178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -95.77 13.28 27.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.437 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 92' ' ' PRO . 68.2 mt -86.61 113.18 51.53 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 175.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 8.1 Cg_exo -72.5 155.88 54.65 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.138 2.559 . . . . 0.0 112.547 -177.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 99' ' ' PHE . 32.5 Cg_exo -58.92 159.86 20.08 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.007 2.471 . . . . 0.0 111.84 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.0 m 71.71 -14.14 0.52 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.162 0.585 . . . . 0.0 111.63 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.4 ' H ' ' C ' ' A' ' 97' ' ' PRO . 87.3 m-85 -123.07 18.08 10.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.512 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -68.74 114.58 7.22 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' O ' ' HG3' ' A' ' 101' ' ' ARG . 14.2 ptt180 -68.34 100.9 1.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.637 0.732 . . . . 0.0 110.912 -176.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 m -125.57 96.53 3.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.021 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.547 ' H ' HD22 ' A' ' 104' ' ' LEU . 31.8 ptt180 -170.23 21.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.135 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.547 HD22 ' H ' ' A' ' 103' ' ' ARG . 2.8 mm? -78.21 -22.63 48.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.258 -174.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 105' ' ' GLU . 1.6 mp0 -64.59 -16.35 62.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.035 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -75.33 104.06 5.74 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.0 110.838 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -135.42 45.66 2.45 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -77.64 26.53 0.18 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.114 -167.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -137.03 100.9 4.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.842 0.353 . . . . 0.0 110.284 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -128.65 36.38 4.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.277 0.561 . . . . 0.0 110.728 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.224 -0.893 . . . . 0.0 109.358 174.617 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.478 0.592 0 N-CA-C 110.197 -0.732 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -58.37 152.89 50.83 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.387 2.058 . . . . 0.0 111.852 174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.0 p -77.41 148.67 6.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.181 -179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.98 164.38 19.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 65.14 68.65 0.5 Allowed 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.696 0.623 . . . . 0.0 109.616 -175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.566 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 7.0 t90 74.23 106.27 0.07 Allowed 'General case' 0 CA--C 1.529 0.141 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.062 -174.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.87 59.08 2.03 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.272 -0.876 . . . . 0.0 113.208 -168.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -137.53 128.28 15.92 Favored Pre-proline 0 C--N 1.317 -0.842 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.615 170.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.68 137.63 20.56 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.081 2.521 . . . . 0.0 112.993 -177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -65.19 -33.52 76.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.041 -175.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.2 p -62.19 -39.79 93.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.951 0.405 . . . . 0.0 110.311 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 m -69.98 -41.9 73.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.024 -0.534 . . . . 0.0 109.929 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -55.75 -53.0 62.0 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.614 178.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.5 mt -57.34 -45.79 83.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.727 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -67.67 -46.92 70.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.54 -175.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -83.55 -6.99 59.6 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.203 -176.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -75.91 -37.24 58.97 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 167.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -77.18 -14.41 59.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.755 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' A' ' 22' ' ' SER . 6.4 tp -157.01 44.26 0.37 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.538 -170.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.675 ' CE2' ' HG ' ' A' ' 31' ' ' LEU . 8.0 t80 -39.32 -88.33 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.686 3.217 . . . . 0.0 119.686 58.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' HA ' ' HD1' ' A' ' 20' ' ' PHE . 1.3 t-20 -51.67 -37.11 49.1 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.593 1.701 . . . . 0.0 115.593 -149.63 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.563 ' HB3' HD12 ' A' ' 19' ' ' LEU . 20.3 t -63.35 -23.57 67.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 118.527 0.603 . . . . 0.0 110.995 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -73.35 -9.89 59.17 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.7 0.285 . . . . 0.0 110.92 178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -134.38 -174.68 3.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.258 -178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -145.31 -5.25 0.68 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.883 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.58 78.82 2.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.838 -0.164 . . . . 0.0 111.132 -171.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.1 mtt 60.81 -161.85 0.28 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.0 m -72.51 -56.39 5.47 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 165.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.75 -7.39 0.46 Allowed Glycine 0 C--N 1.337 0.627 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 165.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.6 ' HB3' HG22 ' A' ' 66' ' ' THR . 5.4 p-80 54.08 165.93 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.279 1.032 . . . . 0.0 111.978 -173.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.675 ' HG ' ' CE2' ' A' ' 20' ' ' PHE . 79.9 mt -110.04 160.74 16.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -93.68 172.33 8.32 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.66 0.267 . . . . 0.0 111.456 -177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -64.34 3.63 Favored Glycine 0 C--N 1.331 0.264 0 CA-C-N 115.553 -0.749 . . . . 0.0 114.017 -176.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -52.86 -47.38 27.74 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.367 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -60.12 -51.91 67.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.329 -178.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.56 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.46 -47.26 84.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.512 . . . . 0.0 111.0 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 29.3 mtm180 -68.26 -28.61 67.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.972 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 93.8 m -64.73 -45.04 88.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.965 0.412 . . . . 0.0 110.21 176.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 67.0 mt -65.49 -40.86 89.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.191 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 76.4 mt -59.75 -40.45 88.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.999 176.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 28.2 ttt -65.93 -23.36 66.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.358 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' ' 38' ' ' THR . 80.1 mt-30 -66.66 -17.63 64.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.729 0.3 . . . . 0.0 111.477 -177.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -79.17 -8.12 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.52 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.3 m 60.05 27.11 16.5 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.85 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.71 150.17 72.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 177.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -52.36 143.92 41.92 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.778 2.319 . . . . 0.0 112.007 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -56.94 -38.06 72.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.553 -177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.21 -45.31 79.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.269 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.73 -42.25 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.366 178.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 53.2 mt -58.95 -44.18 91.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.376 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.22 -40.09 96.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.813 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.0 t -65.68 -48.56 71.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.236 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.419 HD13 HD12 ' A' ' 77' ' ' ILE . 91.1 mt -59.03 -46.06 91.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.691 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 61.6 t-105 -58.39 -53.81 54.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.368 177.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -60.1 -33.59 72.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.932 -176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 51.2 mt -68.51 -38.3 80.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.136 177.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.7 t -91.1 -1.07 57.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.31 -176.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -98.1 96.27 8.0 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 59' ' ' ILE . 4.1 mp -96.46 -41.76 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.473 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -80.89 -18.78 46.12 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.697 -174.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 65.5 24.45 11.86 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.421 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -96.28 -14.22 22.78 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 173.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 84.5 32.73 21.5 Favored Glycine 0 N--CA 1.445 -0.725 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.821 175.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -133.73 131.77 39.81 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.56 HD12 ' HB1' ' A' ' 36' ' ' ALA . 21.8 mt -103.34 117.7 35.09 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.94 -175.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.6 HG22 ' HB3' ' A' ' 30' ' ' HIS . 41.3 p -72.31 -172.25 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.566 175.5 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.97 -47.94 72.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.959 0.409 . . . . 0.0 110.23 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -59.48 -43.21 93.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.919 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.544 ' HB3' HD22 ' A' ' 65' ' ' LEU . 36.7 mt-10 -69.22 -33.79 73.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.754 0.311 . . . . 0.0 110.594 -178.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 21.1 t80 -58.44 -47.41 84.07 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 67' ' ' ALA . 71.8 mt -59.57 -45.5 93.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.346 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 58.5 tp -61.17 -48.47 81.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.872 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.99 -52.25 66.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 35.3 mtp -68.87 -21.23 64.27 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.347 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.545 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.2 t60 -68.62 -34.09 75.14 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 173.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.416 HD12 HG23 ' A' ' 53' ' ' ILE . 96.7 mt -67.34 -37.76 83.8 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.116 175.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.419 HD12 HD13 ' A' ' 53' ' ' ILE . 1.9 mp -64.64 -42.13 94.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 172.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -56.48 -39.47 73.27 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.78 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 75' ' ' HIS . 88.0 t -67.0 -50.63 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.899 175.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.01 90.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.421 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -24.9 67.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.37 178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 9.1 t -85.37 -2.38 58.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.346 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.56 9.78 61.11 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.427 178.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.425 ' HB2' HG12 ' A' ' 79' ' ' VAL . 13.6 mm100 -90.58 146.46 34.34 Favored Pre-proline 0 N--CA 1.447 -0.597 0 CA-C-O 120.567 0.222 . . . . 0.0 110.874 -177.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -79.67 178.49 7.26 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.664 2.242 . . . . 0.0 112.415 176.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.2 mt -112.38 144.45 30.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.523 -179.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 4.1 Cg_exo -80.19 153.37 21.57 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.056 2.504 . . . . 0.0 111.839 176.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 4.4 Cg_exo -74.65 -41.4 0.78 Allowed 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 111.423 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 t -113.82 149.59 16.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 18.2 tp -108.6 141.74 23.93 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 -177.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 12.4 Cg_exo -72.42 151.7 53.93 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.225 1.95 . . . . 0.0 112.227 177.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 34.5 Cg_exo -62.11 -22.67 74.61 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.339 2.693 . . . . 0.0 113.077 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.566 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 3.2 mp0 -66.59 -19.91 65.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.6 0.238 . . . . 0.0 111.161 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -95.87 3.37 53.69 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.871 0.367 . . . . 0.0 110.651 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.2 mt -98.29 120.23 60.02 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.7 154.4 37.44 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.753 2.302 . . . . 0.0 112.742 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.84 -30.38 85.05 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.448 2.766 . . . . 0.0 112.691 -177.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.5 m -58.46 -26.07 62.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.297 178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -111.58 25.08 12.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.766 -176.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.601 ' HA ' ' NE ' ' A' ' 100' ' ' ARG . 2.3 mmp_? -96.23 -39.98 9.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.125 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 43.3 mmt180 -106.31 16.91 24.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.968 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 9.4 p -87.44 3.02 5.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.832 0.348 . . . . 0.0 111.477 -172.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 54.43 103.32 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.275 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.2 mt -118.87 107.43 13.58 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.783 0.325 . . . . 0.0 110.591 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -86.08 76.83 9.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 109.781 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -91.13 62.94 4.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.13 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -87.26 -5.99 58.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.275 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -77.83 123.94 27.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.251 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -105.41 148.75 26.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 173.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -138.31 -62.02 0.58 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.053 -0.659 . . . . 0.0 112.162 -176.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.706 -168.907 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.45 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.9 Cg_exo . . . . . 0 N--CA 1.474 0.376 0 N-CA-C 110.689 -0.543 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 14.2 Cg_exo -69.84 118.7 5.84 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.864 2.376 . . . . 0.0 111.332 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.3 t -83.13 93.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.233 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.19 80.26 0.27 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.298 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -89.61 113.9 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 171.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.505 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 6.1 t90 70.17 103.2 0.06 Allowed 'General case' 0 C--N 1.331 -0.199 0 O-C-N 124.176 0.923 . . . . 0.0 109.107 -172.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.75 49.27 0.62 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.158 -168.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.2 p -123.96 125.73 25.78 Favored Pre-proline 0 C--N 1.32 -0.69 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 173.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 74.6 Cg_exo -52.23 145.65 34.32 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.261 2.641 . . . . 0.0 113.279 -177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -61.45 -43.22 99.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.197 -176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 m -59.74 -38.1 80.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.909 178.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.7 t -67.68 -43.48 80.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.83 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 9' ' ' PRO . 90.8 mtt180 -55.99 -51.9 66.11 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.564 178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.64 -45.95 91.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.748 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -63.05 -45.5 91.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.369 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -85.91 -9.34 57.08 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.318 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -75.41 -31.85 60.53 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -78.8 -13.69 59.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.592 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 22' ' ' SER . 6.8 tp -156.18 42.6 0.39 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.153 -171.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.625 ' CE2' ' HA ' ' A' ' 28' ' ' SER . 4.1 t80 -38.39 -85.23 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 119.653 3.205 . . . . 0.0 119.653 57.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -48.2 -31.35 5.66 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -150.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.551 ' HB2' HD12 ' A' ' 19' ' ' LEU . 44.3 m -60.14 -24.56 64.8 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.991 0.814 . . . . 0.0 110.831 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -102.12 4.52 39.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.497 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -90.92 142.48 27.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -176.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.3 pttt -97.88 -21.48 16.87 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.918 -174.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.586 ' HB ' ' SD ' ' A' ' 27' ' ' MET . 8.4 p -138.83 -85.93 0.25 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.792 0.329 . . . . 0.0 111.824 -175.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.586 ' SD ' ' HB ' ' A' ' 26' ' ' THR . 1.2 pmm? -155.38 87.29 1.1 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.389 0.614 . . . . 0.0 110.06 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.625 ' HA ' ' CE2' ' A' ' 20' ' ' PHE . 59.9 p 53.63 40.46 31.48 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.718 -179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.06 30.99 2.6 Favored Glycine 0 C--N 1.333 0.41 0 CA-C-N 115.653 -0.703 . . . . 0.0 113.113 -175.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.617 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.2 p-80 57.95 163.06 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.002 1.321 . . . . 0.0 113.525 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.6 mt -114.64 166.1 12.09 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.111 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.9 p -88.86 171.04 10.21 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.36 -65.21 3.56 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.448 -179.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.52 -42.2 68.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.629 2.219 . . . . 0.0 113.091 -179.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.62 -46.76 84.23 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.644 0.259 . . . . 0.0 110.716 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.556 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.23 -48.91 78.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.088 0.47 . . . . 0.0 110.366 176.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -64.97 -33.78 76.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.708 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 72.3 m -65.56 -42.18 92.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.694 -179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.58 -42.94 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 110.075 177.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 54.5 mt -57.81 -42.77 84.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.788 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.2 ttp -68.96 -18.17 64.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.607 -175.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 38' ' ' THR . 82.7 mm-40 -69.74 -6.4 31.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.701 0.286 . . . . 0.0 111.269 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -72.55 -10.21 59.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.708 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.5 m 67.71 20.81 9.43 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.978 179.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -85.47 151.51 56.2 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.914 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' OE1' ' A' ' 49' ' ' GLN . 34.2 Cg_exo -60.05 146.91 94.95 Favored 'Trans proline' 0 C--O 1.235 0.362 0 C-N-CA 122.637 2.225 . . . . 0.0 111.681 176.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -58.1 -27.27 63.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.678 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.11 -51.23 70.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 0.0 110.807 176.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' O ' HG13 ' A' ' 53' ' ' ILE . 49.1 mt-30 -68.48 -41.34 80.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.378 179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.01 -42.32 98.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.364 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.1 -39.66 94.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.49 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 32.8 t -62.9 -45.53 92.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.054 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.582 HD13 HD12 ' A' ' 77' ' ' ILE . 92.9 mt -61.63 -45.1 99.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 178.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 41.8 t-105 -59.69 -49.38 77.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.799 0.333 . . . . 0.0 110.358 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -62.06 -35.29 78.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.723 -178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 52' ' ' SER . 70.7 mt -73.46 -34.16 65.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.592 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.439 ' HA ' HD23 ' A' ' 72' ' ' LEU . 32.3 t -79.58 -56.26 4.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.023 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -69.98 98.21 1.25 Allowed 'General case' 0 C--O 1.237 0.397 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.1 mm -50.77 -60.82 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.792 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.09 11.72 31.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.333 0.587 . . . . 0.0 110.341 -175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 58.97 73.19 0.49 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.093 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -96.63 -39.49 9.48 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.704 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 107.98 6.72 32.0 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.489 -0.863 . . . . 0.0 112.904 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -131.54 128.05 38.49 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.556 HD12 ' HB1' ' A' ' 36' ' ' ALA . 23.0 mt -96.04 116.34 28.8 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.377 179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.617 HG22 ' HB3' ' A' ' 30' ' ' HIS . 69.6 p -82.06 -170.9 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.51 -41.96 83.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.029 0.443 . . . . 0.0 110.019 178.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 68' ' ' GLU . 1.7 mp0 -57.94 -46.71 84.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.385 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.08 -43.5 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.019 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.579 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 35.3 t80 -57.48 -46.49 83.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.182 -178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 67' ' ' ALA . 75.0 mt -61.2 -42.68 94.31 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-O 120.992 0.425 . . . . 0.0 110.505 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 57' ' ' SER . 62.1 tp -61.43 -50.35 73.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.38 178.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.95 -52.84 63.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.579 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 90.8 mmm -65.96 -25.82 67.29 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 79' ' ' VAL . 83.1 t60 -67.06 -34.46 77.72 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 173.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.487 HD12 HG23 ' A' ' 53' ' ' ILE . 94.5 mt -70.7 -40.09 73.08 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.149 176.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.582 HD12 HD13 ' A' ' 53' ' ' ILE . 1.7 mp -58.81 -42.88 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 173.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -57.0 -41.56 78.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.152 179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 75' ' ' HIS . 57.7 t -73.51 -51.07 26.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.956 178.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.76 -28.79 70.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.806 -175.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 77' ' ' ILE . 0.2 OUTLIER -55.42 -31.14 61.63 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 122.77 0.428 . . . . 0.0 111.722 178.487 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.6 t -78.88 -2.67 40.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.922 -178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.79 23.65 29.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.883 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -86.84 146.76 41.72 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 122.366 0.266 . . . . 0.0 110.733 -177.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -74.68 152.37 42.42 Favored 'Trans proline' 0 N--CA 1.463 -0.303 0 C-N-CA 122.591 2.194 . . . . 0.0 111.421 173.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 85.1 mt -110.58 144.03 29.38 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-O 120.609 0.243 . . . . 0.0 110.807 -178.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 16.2 Cg_exo -68.51 154.85 70.85 Favored 'Trans proline' 0 CA--C 1.528 0.211 0 C-N-CA 122.952 2.435 . . . . 0.0 112.281 179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -69.75 -36.31 11.05 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.568 2.179 . . . . 0.0 112.231 178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.8 m -129.01 166.93 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.77 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 15.1 tp -100.66 141.78 23.33 Favored Pre-proline 0 C--N 1.321 -0.667 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.71 ' HG2' ' HB2' ' A' ' 94' ' ' TYR . 51.8 Cg_endo -73.06 153.78 52.27 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.025 1.817 . . . . 0.0 112.157 177.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 91' ' ' PRO . 43.3 Cg_exo -58.09 -33.35 97.26 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.4 2.733 . . . . 0.0 114.054 -174.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' OE2' ' HB2' ' A' ' 91' ' ' PRO . 1.3 pm0 -80.22 -13.37 59.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.195 -0.315 . . . . 0.0 111.4 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.71 ' HB2' ' HG2' ' A' ' 91' ' ' PRO . 0.5 OUTLIER -89.75 -9.17 50.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.674 0.273 . . . . 0.0 110.68 177.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.461 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 58.4 mt -78.03 126.52 83.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.841 178.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 95' ' ' ILE . 24.4 Cg_exo -63.73 153.88 72.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.716 2.278 . . . . 0.0 112.79 -177.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.35 157.1 12.22 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 123.266 2.644 . . . . 0.0 112.139 177.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.5 m 75.59 -35.87 0.28 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.505 0.722 . . . . 0.0 111.16 -177.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HD2' ' HB2' ' A' ' 96' ' ' PRO . 85.1 m-85 -87.29 -16.2 35.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.274 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -68.96 -18.44 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.009 0.433 . . . . 0.0 110.853 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -117.83 97.79 6.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.977 176.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.512 HG22 ' HG3' ' A' ' 103' ' ' ARG . 12.7 p -156.96 152.67 7.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 178.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.512 ' HG3' HG22 ' A' ' 102' ' ' VAL . 89.6 mtt180 62.56 78.25 0.3 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-O 121.419 0.628 . . . . 0.0 109.748 -178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.7 mt -86.86 102.34 14.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.792 -172.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.38 114.98 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.109 175.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -111.81 110.45 20.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.434 0.635 . . . . 0.0 110.385 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -128.07 130.48 48.29 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.966 -176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -113.67 150.67 32.9 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.479 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -98.32 170.46 8.85 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 171.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -126.96 129.86 48.95 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 120.844 0.354 . . . . 0.0 110.724 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 11.5 m80 . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.958 176.818 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.459 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.6 Cg_exo . . . . . 0 N--CA 1.476 0.465 0 N-CA-C 110.671 -0.55 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 3.6 Cg_exo -75.74 101.46 1.49 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.795 2.33 . . . . 0.0 111.833 -178.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.2 84.3 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.267 0.556 . . . . 0.0 109.64 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.72 111.64 3.55 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.137 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 66.12 84.6 0.15 Allowed 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.81 0.694 . . . . 0.0 110.233 -177.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.432 ' HA ' ' O ' ' A' ' 93' ' ' GLU . 2.1 t90 70.12 110.52 0.06 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.847 -1.069 . . . . 0.0 109.9 -177.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.87 39.74 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.395 -0.82 . . . . 0.0 113.022 -170.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.6 p -124.78 116.72 26.26 Favored Pre-proline 0 C--N 1.316 -0.851 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.65 143.28 47.15 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.613 2.209 . . . . 0.0 112.017 179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.546 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 28.8 tt0 -57.21 -46.31 83.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -178.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.0 p -56.93 -37.54 71.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.125 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -71.77 -45.86 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.437 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 11.3 ptm180 -66.9 -32.31 73.48 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.653 0.263 . . . . 0.0 110.605 -177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 10' ' ' GLN . 55.2 mt -62.34 -38.69 90.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.888 177.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.35 -43.07 99.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.182 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' HB2' HG12 ' A' ' 71' ' ' ILE . 10.3 m-85 -81.42 -28.62 34.21 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.588 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 7.3 ttt180 -68.46 -25.62 65.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.444 0.64 . . . . 0.0 109.405 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -76.62 -12.64 60.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.859 -1.064 . . . . 0.0 111.836 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 22' ' ' SER . 7.9 tp -156.09 39.87 0.36 Allowed 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 118.526 -0.749 . . . . 0.0 110.23 -170.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -36.09 -81.86 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 119.204 3.038 . . . . 0.0 119.204 60.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.57 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 3.9 t30 -47.78 -45.25 29.18 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 -152.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.521 ' HB2' HD12 ' A' ' 19' ' ' LEU . 53.0 m -71.22 -24.52 62.21 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.432 0.56 . . . . 0.0 112.414 -178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -94.78 -6.43 43.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.717 0.294 . . . . 0.0 110.341 177.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -67.65 119.51 12.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.388 0.613 . . . . 0.0 110.878 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -161.36 19.24 0.12 Allowed 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.406 179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.2 p -124.75 129.72 51.03 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.13 -173.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.4 ttt -59.88 146.53 41.78 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.864 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.6 m 76.59 102.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.665 1.228 . . . . 0.0 108.22 -169.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.68 52.75 0.15 Allowed Glycine 0 CA--C 1.518 0.251 0 CA-C-N 114.956 -1.02 . . . . 0.0 114.267 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.766 ' HB3' HG22 ' A' ' 66' ' ' THR . 6.6 p-80 -157.96 137.94 12.35 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.153 0.581 . . . . 0.0 109.557 172.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.08 140.38 31.85 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.46 -175.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.0 p -77.41 175.17 10.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.802 177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.09 -63.71 4.08 Favored Glycine 0 C--N 1.33 0.217 0 CA-C-N 116.023 -0.535 . . . . 0.0 113.053 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -51.62 -43.22 52.04 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.731 2.288 . . . . 0.0 112.774 178.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -60.46 -53.22 60.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.799 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -58.72 -49.03 79.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.888 179.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -61.97 -36.59 81.91 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.953 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 42' ' ' GLN . 95.6 m -62.5 -40.95 98.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.901 -179.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.9 mt -74.46 -40.14 48.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 0.0 110.283 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 69.3 mt -56.65 -45.9 81.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.06 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -67.88 -16.64 64.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 38' ' ' THR . 76.6 mm-40 -71.41 -3.69 22.27 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 111.23 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.5 p -82.16 -3.93 55.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.844 178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 m 66.03 20.94 11.28 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.864 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 92.3 mt -97.49 147.74 33.43 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.253 177.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 45' ' ' LEU . 20.0 Cg_exo -62.33 148.7 92.83 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.144 2.562 . . . . 0.0 111.946 177.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.94 -20.05 65.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.14 -39.92 96.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.149 0.499 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -72.74 -42.01 64.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.694 176.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.81 -38.79 89.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.298 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.0 89.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.731 0.301 . . . . 0.0 111.107 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -48.21 73.01 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.572 HD13 HD12 ' A' ' 77' ' ' ILE . 89.8 mt -64.53 -37.63 80.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.052 179.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -58.79 -50.63 73.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.48 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -61.02 -33.85 73.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.55 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt -74.77 -31.28 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.641 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 t -83.7 -50.55 8.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -172.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -68.53 113.31 5.94 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.578 HG21 ' HB3' ' A' ' 99' ' ' PHE . 37.5 mm -91.95 -22.87 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 110.74 -175.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -96.85 -17.24 20.32 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.526 -178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 66.53 31.5 7.92 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -88.68 -10.91 46.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.645 -173.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 78.37 25.14 61.82 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -144.71 151.55 39.08 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD12 ' HB1' ' A' ' 36' ' ' ALA . 41.0 mt -122.27 118.27 28.14 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.82 0.343 . . . . 0.0 111.151 -177.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.766 HG22 ' HB3' ' A' ' 30' ' ' HIS . 71.3 p -74.72 -171.09 1.19 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 174.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -65.82 -53.22 42.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.516 0.198 . . . . 0.0 111.094 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -34.02 76.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.292 -179.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -72.91 -41.56 64.46 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.889 0.376 . . . . 0.0 110.229 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 74' ' ' MET . 59.5 t80 -59.6 -41.94 91.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.802 175.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 17' ' ' ARG . 65.0 mt -56.51 -46.85 82.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.122 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.828 175.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 76' ' ' LEU . 61.5 tp -60.71 -52.57 64.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.929 179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.97 -53.6 56.41 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.759 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 70' ' ' PHE . 96.7 mmm -65.81 -28.25 68.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.686 -0.233 . . . . 0.0 111.452 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.518 ' O ' HG23 ' A' ' 79' ' ' VAL . 79.7 t60 -69.42 -34.76 74.95 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 HG23 ' A' ' 53' ' ' ILE . 97.9 mt -69.71 -35.78 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 175.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.572 HD12 HD13 ' A' ' 53' ' ' ILE . 1.5 mp -58.38 -43.78 87.16 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.866 172.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.19 -41.67 99.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 75' ' ' HIS . 89.8 t -62.58 -44.8 99.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.488 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.418 ' HB2' HD21 ' A' ' 86' ' ' LEU . . . -62.68 -42.25 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.784 177.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -25.54 67.74 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.323 177.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.1 m -81.4 1.94 30.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.691 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.95 14.56 72.12 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.593 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 28.8 mm-40 -93.82 146.44 31.72 Favored Pre-proline 0 N--CA 1.449 -0.51 0 N-CA-C 110.539 -0.171 . . . . 0.0 110.539 -177.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 11.9 Cg_exo -70.87 150.81 62.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.896 2.398 . . . . 0.0 112.478 -179.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.428 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 93.0 mt -90.49 144.76 31.2 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.32 179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HA ' ' HD3' ' A' ' 88' ' ' PRO . 6.5 Cg_exo -73.94 153.71 47.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 178.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 87' ' ' PRO . 3.1 Cg_exo -77.28 -44.8 0.18 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.986 2.457 . . . . 0.0 111.183 175.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.2 t -122.54 153.32 27.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 13.9 tp -83.44 140.41 41.72 Favored Pre-proline 0 C--N 1.319 -0.726 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.697 -177.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 90' ' ' LEU . 5.4 Cg_exo -81.88 154.63 17.5 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.774 2.316 . . . . 0.0 111.881 177.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.66 -19.61 54.02 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.86 2.373 . . . . 0.0 112.514 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 6' ' ' TRP . 6.2 mm-40 -76.53 -19.87 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.022 179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.421 ' HB2' ' HD2' ' A' ' 91' ' ' PRO . 34.0 m-85 -100.71 3.17 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.146 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 64.9 mt -81.67 120.06 76.94 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 177.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 26.6 Cg_exo -63.41 151.72 83.53 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.46 2.107 . . . . 0.0 112.176 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 34.7 Cg_exo -62.54 -33.2 79.13 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.015 2.477 . . . . 0.0 112.947 -176.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.5 t -76.82 -21.62 54.81 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -176.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.578 ' HB3' HG21 ' A' ' 59' ' ' ILE . 97.2 m-85 -119.24 33.1 5.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.916 0.388 . . . . 0.0 111.383 -172.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 42.2 mtm180 -75.84 -40.85 53.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.585 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 20.4 mmt180 -128.71 111.56 13.29 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -171.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.3 m -135.46 147.15 28.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.212 171.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -95.01 93.87 7.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.147 0.499 . . . . 0.0 109.896 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.8 HD23 ' H ' ' A' ' 104' ' ' LEU . 2.4 pt? -95.14 136.49 35.41 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.442 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.446 ' H ' ' HG3' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -105.54 129.74 53.74 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.957 175.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -105.5 123.19 47.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.289 -175.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -94.88 178.58 5.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.838 -178.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -156.8 -59.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.34 176.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.527 ' O ' ' HB2' ' A' ' 110' ' ' HIS . 19.9 t-80 -173.47 -38.84 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.042 173.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.527 ' HB2' ' O ' ' A' ' 109' ' ' HIS . 38.3 m-70 72.96 177.1 0.26 Allowed 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.748 0.655 . . . . 0.0 110.078 -172.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 . . . . . 0 C--O 1.244 0.765 0 CA-C-O 118.463 -0.78 . . . . 0.0 109.357 174.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 5.4 Cg_exo . . . . . 0 N--CA 1.475 0.393 0 N-CA-C 110.428 -0.643 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 21.8 Cg_exo -65.38 117.71 4.82 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.944 2.43 . . . . 0.0 111.694 177.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.1 t 63.54 85.97 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-O 121.857 0.837 . . . . 0.0 111.17 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.61 47.48 0.97 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.501 177.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -79.12 146.25 33.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.375 -177.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -76.3 119.48 20.25 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 175.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.79 58.0 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -171.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 p -132.53 127.15 20.48 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.422 171.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.31 142.65 87.85 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.628 2.219 . . . . 0.0 112.591 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 6.1 tp60 -55.4 -48.26 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.918 179.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.3 m -57.88 -35.12 70.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.021 0.439 . . . . 0.0 110.843 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.9 t -75.63 -45.19 38.74 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.518 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.529 ' HG2' ' HA ' ' A' ' 10' ' ' GLN . 33.0 ptt180 -72.07 -32.34 66.96 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 -175.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.73 -39.2 93.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.528 0.68 . . . . 0.0 110.211 172.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -64.97 -38.83 92.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.9 -1.045 . . . . 0.0 111.869 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -91.83 -18.7 23.43 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.754 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.9 ttp180 -70.99 -25.83 62.86 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 170.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -70.88 -15.98 62.66 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.716 -1.129 . . . . 0.0 112.029 178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 22' ' ' SER . 9.6 tp -161.81 41.33 0.14 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.421 -166.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -37.45 -82.79 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 119.272 3.064 . . . . 0.0 119.272 60.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -48.12 -44.34 31.87 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -152.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.507 ' HB3' HD12 ' A' ' 19' ' ' LEU . 21.4 t -62.91 -23.87 67.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.708 0.685 . . . . 0.0 111.383 -178.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -92.38 -0.35 57.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.766 0.317 . . . . 0.0 111.235 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -92.04 136.0 33.52 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 176.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -158.84 17.21 0.19 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.365 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.2 t -157.78 -172.53 3.98 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -174.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 95.4 mmm -91.96 70.36 5.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.097 0.475 . . . . 0.0 110.484 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 33.3 t -148.79 97.0 2.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.152 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.28 42.7 2.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.153 178.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 35.6 p-80 -172.32 149.97 2.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.972 0.415 . . . . 0.0 109.989 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.2 mt -98.99 151.24 21.14 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.8 p -88.7 173.63 8.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.56 -64.97 3.06 Favored Glycine 0 CA--C 1.518 0.223 0 O-C-N 123.623 0.577 . . . . 0.0 113.191 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.72 -45.7 37.23 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.567 2.178 . . . . 0.0 112.597 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -61.83 -43.66 98.4 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.705 0.288 . . . . 0.0 111.068 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' HD12 ' A' ' 65' ' ' LEU . . . -65.5 -47.0 77.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.632 177.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 37' ' ' ARG . 23.0 mtp180 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.721 -177.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.453 ' O ' ' HG3' ' A' ' 42' ' ' GLN . 86.1 m -65.97 -36.79 84.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.939 177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 60.2 mt -73.5 -36.6 48.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.332 0.587 . . . . 0.0 109.904 175.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 36' ' ' ALA . 63.4 mt -62.2 -44.09 97.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.665 178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 38' ' ' THR . 23.0 ptp -66.77 -17.54 64.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.408 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 38' ' ' THR . 78.4 mt-30 -65.93 -14.6 61.84 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.875 0.369 . . . . 0.0 110.922 178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -82.42 -13.32 56.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.151 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 49.6 m 63.16 30.39 15.99 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.571 177.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 81' ' ' MET . 89.7 mt -87.82 150.61 48.43 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.398 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -52.59 140.99 54.16 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.84 2.36 . . . . 0.0 112.63 178.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -57.87 -37.06 73.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.261 -178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.37 -44.58 88.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.991 0.424 . . . . 0.0 110.749 177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -69.25 -40.38 77.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.219 177.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.37 -48.11 81.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.901 178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.64 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.073 179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -67.18 -42.22 84.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.618 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 75.5 mt -65.64 -41.62 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.9 t-105 -56.63 -49.99 73.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.811 175.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -61.17 -34.77 75.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.354 -179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.3 mt -73.67 -31.79 63.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.539 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.0 t -85.58 -25.68 26.57 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.6 140.56 30.49 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.489 0.662 . . . . 0.0 111.587 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 48.5 mt -124.31 -28.59 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.72 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -163.83 5.79 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -175.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -136.86 79.41 1.75 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 122.098 0.952 . . . . 0.0 110.15 -176.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.61 -16.54 49.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.236 -1.347 . . . . 0.0 112.017 -170.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.63 25.63 4.71 Favored Glycine 0 N--CA 1.44 -1.088 0 C-N-CA 119.552 -1.308 . . . . 0.0 113.775 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -142.8 138.2 30.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 117.533 0.666 . . . . 0.0 110.845 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 69' ' ' GLU . 18.9 mt -126.26 113.09 16.51 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 173.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 30' ' ' HIS . 30.1 p -77.23 -170.98 1.89 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' O ' HG13 ' A' ' 71' ' ' ILE . . . -67.71 -38.53 83.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -63.91 -43.76 94.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.42 177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.606 ' HB3' HD22 ' A' ' 65' ' ' LEU . 1.6 mp0 -72.47 -37.77 68.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.648 -178.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -62.04 -45.62 92.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.728 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 67' ' ' ALA . 83.2 mt -59.41 -43.86 91.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.27 177.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.448 HD11 HD21 ' A' ' 90' ' ' LEU . 53.7 tp -61.61 -49.91 74.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.555 177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 77' ' ' ILE . . . -56.38 -52.57 64.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.489 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 21.4 mtp -74.08 -19.23 60.67 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.945 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.43 ' O ' HG23 ' A' ' 79' ' ' VAL . 29.7 t60 -69.45 -36.12 76.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 171.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.7 mt -73.02 -38.72 66.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.787 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.489 ' HB ' ' HA ' ' A' ' 74' ' ' MET . 31.4 mm -56.33 -45.86 81.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.492 174.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.19 -36.45 75.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.122 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 75' ' ' HIS . 78.9 t -74.62 -46.99 40.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.696 177.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.46 -35.16 78.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.272 -179.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.403 ' HG2' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -64.3 -11.88 36.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.702 177.347 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.1 t -92.66 12.08 24.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.179 0.514 . . . . 0.0 109.989 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.05 15.44 81.65 Favored Glycine 0 N--CA 1.451 -0.326 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.329 178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.484 ' HA ' ' HD3' ' A' ' 85' ' ' PRO . 33.0 mm-40 -79.95 147.08 65.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.874 0.369 . . . . 0.0 111.501 -176.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.484 ' HD3' ' HA ' ' A' ' 84' ' ' GLN . 3.0 Cg_exo -76.34 153.94 35.94 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.017 2.478 . . . . 0.0 111.014 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 90.3 mt -100.65 143.15 26.01 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 121.016 -0.273 . . . . 0.0 110.363 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 1.4 Cg_endo -81.52 155.3 18.57 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 123.041 2.494 . . . . 0.0 112.279 178.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -62.65 -44.43 17.38 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.518 2.146 . . . . 0.0 111.493 175.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.9 t -121.06 155.02 24.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.448 HD21 HD11 ' A' ' 72' ' ' LEU . 18.6 tp -96.85 143.92 26.96 Favored Pre-proline 0 C--N 1.321 -0.635 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -59.35 152.47 60.49 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.07 1.847 . . . . 0.0 111.936 175.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.91 -40.66 20.27 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.796 2.331 . . . . 0.0 113.067 -174.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' HA ' ' NH2' ' A' ' 100' ' ' ARG . 0.3 OUTLIER -70.01 -14.84 62.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.831 0.348 . . . . 0.0 111.699 -178.132 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -82.94 -16.16 48.48 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.809 0.338 . . . . 0.0 110.178 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.6 mt -83.53 118.86 72.7 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 26.4 Cg_endo -62.31 153.37 70.74 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.524 2.15 . . . . 0.0 112.487 -176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 96' ' ' PRO . 31.5 Cg_exo -61.68 156.91 45.03 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.635 2.223 . . . . 0.0 111.615 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m 75.07 -42.63 0.49 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.36 0.664 . . . . 0.0 111.198 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -76.13 -8.79 57.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.054 0.455 . . . . 0.0 110.63 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.451 ' NH2' ' HA ' ' A' ' 93' ' ' GLU . 88.4 mtt180 -75.35 -15.3 60.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.031 173.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -95.31 96.58 9.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.224 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.4 t -123.94 70.26 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.962 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 40.7 67.37 0.52 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.309 -0.86 . . . . 0.0 112.169 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 7.1 tt -123.47 99.82 6.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.036 0.446 . . . . 0.0 111.131 -174.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -156.0 -59.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -101.01 104.67 15.83 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.716 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -101.12 20.41 15.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.014 0.435 . . . . 0.0 109.875 175.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 43.4 m170 68.83 89.37 0.1 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.747 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -120.74 101.12 7.51 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -71.11 122.91 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.314 0.578 . . . . 0.0 111.864 -171.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.6 t60 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.221 -0.899 . . . . 0.0 109.284 172.663 . . . . . . . . 0 0 . 1 stop_ save_