data_2li0_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 2li0 _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 ' 3' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 4' ' ' THR . 1.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.496 ' N ' ' OG1' ' A' ' 3' ' ' THR . 4.1 p -150.14 -175.64 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' ' N ' ' A' ' 7' ' ' LEU . 7.6 p -148.87 154.36 39.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.697 2.265 . . . . 0.0 111.737 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.664 ' HG1' ' H ' ' A' ' 4' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.793 0.33 . . . . 0.0 110.551 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.664 ' H ' ' HG1' ' A' ' 3' ' ' THR . 64.9 p -150.72 171.44 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.807 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.2 157.86 39.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.433 ' O ' HD21 ' A' ' 7' ' ' LEU . 2.9 Cg_endo -44.67 64.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.834 0 C-N-CA 123.032 2.488 . . . . 0.0 111.944 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.68 -171.31 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -147.99 156.0 43.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.58 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.006 2.471 . . . . 0.0 112.042 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.536 ' CG2' ' H ' ' A' ' 4' ' ' THR . 25.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.536 ' H ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.74 -179.55 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -148.22 156.04 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 106.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.034 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.764 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.44 170.9 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.34 159.82 35.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 84.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.044 2.496 . . . . 0.0 111.967 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.655 ' HG1' ' H ' ' A' ' 4' ' ' THR . 55.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.338 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.655 ' H ' ' HG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.64 -178.44 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.548 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 6' ' ' PRO . 70.4 p -147.02 156.41 47.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.54 178.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.06 2.507 . . . . 0.0 111.946 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.46 ' HG1' ' N ' ' A' ' 4' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.46 ' N ' ' HG1' ' A' ' 3' ' ' THR . 0.3 OUTLIER -150.76 -168.7 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.3 p -147.88 155.44 44.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -41.35 126.04 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.12 2.547 . . . . 0.0 112.07 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.684 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 4' ' ' THR . 88.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.847 0.356 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.438 ' N ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.75 149.05 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.655 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.38 38.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 75.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.06 2.506 . . . . 0.0 111.966 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.3 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.66 164.99 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.3 159.79 36.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 87.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.978 2.452 . . . . 0.0 111.996 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 159.26 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 158.58 38.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.695 0.283 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.65 -173.89 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -147.55 156.3 45.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 128.49 8.49 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.995 2.463 . . . . 0.0 112.051 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.358 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -176.09 5.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.9 p -147.89 155.94 44.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.598 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 117.59 1.54 Allowed 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 123.072 2.515 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.873 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.783 0.325 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -171.55 3.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.208 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.5 p -147.98 156.14 43.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.225 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.01 112.9 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.2 2.6 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.64 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.842 0.354 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.67 145.69 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.21 158.63 38.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 70.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.995 2.464 . . . . 0.0 111.997 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.753 0.311 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.61 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.22 158.12 38.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.08 77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 112.072 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.787 0.327 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.62 165.73 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.805 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -149.24 158.23 38.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.69 66.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.023 2.482 . . . . 0.0 111.988 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.805 ' N ' ' O ' ' A' ' 5' ' ' THR . 46.9 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.63 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.24 158.87 36.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.017 2.478 . . . . 0.0 112.004 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.6 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.762 0.315 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.6 174.49 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 p -147.88 156.04 44.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.8 128.85 9.17 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.027 2.485 . . . . 0.0 112.101 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.54 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.8 OUTLIER -90.53 133.66 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.515 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.88 158.86 36.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -179.581 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 74.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.023 2.482 . . . . 0.0 111.96 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.5 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 175.39 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -148.1 156.52 43.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 142.63 4.74 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.994 2.462 . . . . 0.0 112.029 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.501 179.866 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.758 0.313 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.64 -171.28 3.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.758 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 p -147.93 155.73 44.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 117.2 1.65 Allowed 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 123.011 2.474 . . . . 0.0 112.295 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.622 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.802 0.334 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.69 160.18 44.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.787 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.27 158.29 38.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 67.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.998 2.465 . . . . 0.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 5' ' ' THR . 43.7 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.821 0.343 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.7 -174.33 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.9 p -148.05 156.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 108.38 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.02 2.48 . . . . 0.0 112.008 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.678 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 152.29 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.69 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.33 158.3 38.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.058 2.505 . . . . 0.0 111.919 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.69 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.9 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 4' ' ' THR . 17.7 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.422 ' N ' ' OG1' ' A' ' 3' ' ' THR . 12.2 p -150.42 157.33 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.2 158.84 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.013 2.475 . . . . 0.0 112.004 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.8 0.333 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.7 p -150.68 156.01 40.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.732 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -147.04 158.7 44.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.806 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.77 70.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.045 2.497 . . . . 0.0 111.984 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.38 160.81 43.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.29 158.81 37.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 80.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.013 2.476 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.9 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.43 147.29 27.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.29 159.3 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 83.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.019 2.479 . . . . 0.0 112.071 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 4' ' ' THR . 9.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.789 0.328 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.466 ' N ' ' CG2' ' A' ' 3' ' ' THR . 0.3 OUTLIER -150.7 -171.53 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 p -148.2 156.1 43.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 109.4 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.003 2.468 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 -179.772 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.12 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -148.13 155.78 43.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 127.97 8.0 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 123.021 2.481 . . . . 0.0 111.982 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.899 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.66 151.38 32.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.32 159.6 36.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.066 2.511 . . . . 0.0 111.953 -179.395 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 179.517 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 161.02 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.699 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.23 157.84 39.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 72.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.078 2.518 . . . . 0.0 112.008 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.699 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.3 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -175.9 5.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.604 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 p -147.95 156.02 44.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 116.71 1.19 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.03 2.487 . . . . 0.0 111.983 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.875 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.727 0.299 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.42 144.01 25.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.28 157.75 39.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 70.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.048 2.499 . . . . 0.0 112.002 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.612 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 -172.93 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 p -147.72 156.16 44.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 128.91 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.01 2.474 . . . . 0.0 112.052 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' H ' HD13 ' A' ' 7' ' ' LEU . 2.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.607 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.69 172.26 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -148.36 156.04 42.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 103.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.005 2.47 . . . . 0.0 111.975 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.859 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.812 0.339 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 148.64 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.697 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.26 38.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.009 2.473 . . . . 0.0 112.014 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.697 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.0 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.63 132.0 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.74 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -150.13 158.23 36.77 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.475 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 70.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.989 2.459 . . . . 0.0 112.023 -179.542 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.74 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.506 ' C ' ' HG1' ' A' ' 4' ' ' THR . 8.0 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.83 0.348 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.506 ' HG1' ' C ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -150.65 163.35 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.31 159.33 37.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 80.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.039 2.493 . . . . 0.0 111.974 -179.391 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.684 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.728 0.299 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.62 -172.34 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -147.56 155.37 45.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.11 104.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.331 2.021 . . . . 0.0 112.139 -179.775 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.395 -179.578 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.815 0.34 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.7 -168.11 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 6' ' ' PRO . 41.0 p -147.96 156.85 44.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.68 144.93 3.04 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.988 2.458 . . . . 0.0 111.987 -178.865 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.524 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 7.1 mp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.753 0.311 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -176.83 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -148.16 156.11 43.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.956 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.01 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.045 2.496 . . . . 0.0 111.95 -179.834 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 -179.795 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.42 ' HG1' ' H ' ' A' ' 5' ' ' THR . 7.4 t -152.06 -153.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.42 ' H ' ' HG1' ' A' ' 4' ' ' THR . 14.9 p -150.87 156.89 35.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.768 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 105.16 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.033 2.489 . . . . 0.0 111.964 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.791 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.341 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 -178.25 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.9 p -146.86 164.86 21.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 152.09 37.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.041 2.494 . . . . 0.0 111.943 -178.755 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 -179.679 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.846 0.355 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -169.85 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.553 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -148.02 155.96 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 123.47 4.7 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.014 2.476 . . . . 0.0 112.042 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 179.816 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.521 ' CG2' ' H ' ' A' ' 4' ' ' THR . 7.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.521 ' H ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.69 151.26 32.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.964 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.754 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.34 158.55 38.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 69.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.089 2.526 . . . . 0.0 111.975 -179.347 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.581 179.549 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.744 0.307 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -151.74 -157.26 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 p -150.88 156.61 35.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 -179.853 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -42.48 97.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.056 2.504 . . . . 0.0 111.969 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.758 0.314 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 t -151.87 -153.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -151.2 157.08 35.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.815 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.41 2.22 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.069 2.513 . . . . 0.0 111.926 -179.789 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.876 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -151.16 12.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -151.27 159.29 33.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.828 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 93.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.008 2.472 . . . . 0.0 111.994 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 -179.895 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.75 178.93 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.776 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.49 157.67 38.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.836 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 67.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.999 2.466 . . . . 0.0 112.052 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.39 163.53 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 179.928 . . . . . . . . 2 2 . 1 . 051 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 p -151.59 157.11 34.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 -179.564 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 112.05 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.003 2.469 . . . . 0.0 111.973 -179.772 . . . . . . . . 1 1 . 1 . 051 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 -179.795 . . . . . . . . 0 0 . 1 . 052 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' A' ' 4' ' ' THR . 29.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.321 . . . . 0.0 110.655 . . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.612 ' H ' ' HG1' ' A' ' 3' ' ' THR . 62.2 p -150.71 156.46 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.939 . . . . . . . . 2 2 . 1 . 052 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.91 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.25 157.47 39.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.995 . . . . . . . . 3 3 . 1 . 052 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 56.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.004 2.469 . . . . 0.0 112.032 -178.982 . . . . . . . . 1 1 . 1 . 052 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.91 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 179.392 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 053 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.947 . . . . . . . . 2 2 . 1 . 053 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.916 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.23 157.69 39.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.99 . . . . . . . . 3 3 . 1 . 053 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 55.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.091 2.528 . . . . 0.0 111.946 -179.046 . . . . . . . . 1 1 . 1 . 053 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.916 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.334 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 -178.75 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.697 -179.971 . . . . . . . . 2 2 . 1 . 054 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -147.89 155.51 44.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.61 108.39 0.13 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.911 2.407 . . . . 0.0 111.876 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.746 . . . . . . . . 0 0 . 1 . 055 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.839 0.352 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 144.5 25.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 157.48 39.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.98 . . . . . . . . 3 3 . 1 . 055 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 63.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.027 2.485 . . . . 0.0 112.007 -179.051 . . . . . . . . 1 1 . 1 . 055 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 5' ' ' THR . 24.7 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 179.493 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.512 ' CG2' ' H ' ' A' ' 4' ' ' THR . 6.9 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.512 ' H ' ' CG2' ' A' ' 3' ' ' THR . 0.2 OUTLIER -150.67 -170.3 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -148.17 155.78 43.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 127.91 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.035 2.49 . . . . 0.0 111.994 -179.833 . . . . . . . . 1 1 . 1 . 056 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.607 179.942 . . . . . . . . 0 0 . 1 . 057 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.432 ' CG2' ' H ' ' A' ' 4' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.555 . . . . . . . . . 2 2 . 1 . 057 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.432 ' H ' ' CG2' ' A' ' 3' ' ' THR . 0.1 OUTLIER -150.65 -171.54 3.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 -179.992 . . . . . . . . 3 3 . 1 . 057 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -148.21 155.79 43.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 110.23 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.026 2.484 . . . . 0.0 112.042 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.725 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 4' ' ' THR . 10.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.746 0.308 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.44 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.7 -176.59 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 179.938 . . . . . . . . 3 3 . 1 . 058 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p -148.18 155.99 43.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 105.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.034 -179.875 . . . . . . . . 1 1 . 1 . 058 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.836 . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.849 0.357 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 059 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 059 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -147.39 155.18 46.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 107.09 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.98 2.453 . . . . 0.0 112.34 -179.464 . . . . . . . . 1 1 . 1 . 059 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 179.776 . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.768 0.318 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 060 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -151.98 -151.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.955 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.7 p -151.08 157.29 35.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 -179.805 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.66 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.035 2.49 . . . . 0.0 111.986 -179.871 . . . . . . . . 1 1 . 1 . 060 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 -179.947 . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 061 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -151.4 125.71 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 061 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 p -91.5 154.45 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.789 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 110.37 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.064 2.509 . . . . 0.0 112.031 -179.538 . . . . . . . . 1 1 . 1 . 061 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.821 . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.853 0.359 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 062 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 -173.54 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 062 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 p -147.85 156.11 44.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.55 -179.949 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 129.34 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.993 2.462 . . . . 0.0 111.99 -179.745 . . . . . . . . 1 1 . 1 . 062 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.401 HD11 ' H ' ' A' ' 7' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.435 ' C ' ' H ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 25.58 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.02 2.48 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 4' ' ' THR . 1.8 t -151.4 -176.77 5.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.496 ' N ' ' OG1' ' A' ' 3' ' ' THR . 4.1 p -150.14 -175.64 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' ' N ' ' A' ' 7' ' ' LEU . 7.6 p -148.87 154.36 39.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.697 2.265 . . . . 0.0 111.737 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -72.81 -164.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -78.76 42.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.124 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 -67.37 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.04 2.493 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.664 ' HG1' ' H ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -151.45 178.34 9.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.664 ' H ' ' HG1' ' A' ' 3' ' ' THR . 64.9 p -150.72 171.44 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.807 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.2 157.86 39.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.433 ' O ' HD21 ' A' ' 7' ' ' LEU . 2.9 Cg_endo -44.67 64.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.834 0 C-N-CA 123.032 2.488 . . . . 0.0 111.944 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -167.93 39.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -78.74 -0.86 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 168.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.052 2.501 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.4 -65.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.68 -171.31 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -147.99 156.0 43.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.58 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.006 2.471 . . . . 0.0 112.042 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.32 141.08 48.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -161.29 133.35 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.523 ' C ' ' HG1' ' A' ' 3' ' ' THR . 2.9 Cg_endo -44.67 -53.53 4.97 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.031 2.487 . . . . 0.0 112.002 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.536 ' CG2' ' H ' ' A' ' 4' ' ' THR . 25.4 m -151.42 -122.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.536 ' H ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.74 -179.55 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -148.22 156.04 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 106.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.034 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.47 172.69 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -161.26 -36.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 172.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.0 2.467 . . . . 0.0 112.017 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.48 67.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.44 170.9 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.34 159.82 35.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 84.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.044 2.496 . . . . 0.0 111.967 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -167.7 -173.07 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 179.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -161.34 -45.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.144 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 -28.36 2.72 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.001 2.467 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.655 ' HG1' ' H ' ' A' ' 4' ' ' THR . 55.9 p -88.57 -57.78 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.655 ' H ' ' HG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.64 -178.44 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.548 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 6' ' ' PRO . 70.4 p -147.02 156.41 47.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' C ' ' H ' ' A' ' 8' ' ' LYS . 2.9 Cg_endo -44.54 178.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.06 2.507 . . . . 0.0 111.946 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 3.8 mm? -72.63 18.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.581 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.544 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -161.82 75.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.601 ' HN1' ' C1 ' ' A' ' 10' ' ' A2G . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.601 ' C1 ' ' HN1' ' A' ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 170.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.06 2.506 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.46 ' HG1' ' N ' ' A' ' 4' ' ' THR . 0.5 OUTLIER -151.34 152.12 32.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.534 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.46 ' N ' ' HG1' ' A' ' 3' ' ' THR . 0.3 OUTLIER -150.76 -168.7 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.3 p -147.88 155.44 44.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -41.35 126.04 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.12 2.547 . . . . 0.0 112.07 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 mp -72.22 92.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.684 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -78.7 -57.34 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 175.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.992 2.462 . . . . 0.0 112.03 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 4' ' ' THR . 88.3 m -88.67 164.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.438 ' N ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.75 149.05 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.655 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.38 38.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 75.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.06 2.506 . . . . 0.0 111.966 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.3 tp -167.85 -144.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 14.5 tttm -161.23 -135.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.43 ' O7 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.417 ' CH3' ' HG1' ' A' ' 4' ' ' THR . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 -69.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.049 2.5 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -88.59 49.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.417 ' HG1' ' CH3' ' A' ' 1' ' ' ACE . 63.9 p -150.66 164.99 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.3 159.79 36.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 87.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.978 2.452 . . . . 0.0 111.996 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.562 ' CD2' ' H ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -167.64 -169.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.562 ' H ' ' CD2' ' A' ' 7' ' ' LEU . 23.3 mtmt -78.72 48.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.1 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 161.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.995 2.463 . . . . 0.0 111.937 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -88.6 21.42 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 159.26 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 158.58 38.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp -167.65 13.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -161.25 139.89 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.409 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.66 175.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.023 2.482 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.56 81.8 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.65 -173.89 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -147.55 156.3 45.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 128.49 8.49 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.995 2.463 . . . . 0.0 112.051 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp -71.94 136.66 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 19.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.131 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.39 106.38 2.26 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.972 2.448 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -88.62 27.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -176.09 5.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.9 p -147.89 155.94 44.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.598 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 117.59 1.54 Allowed 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 123.072 2.515 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.873 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.74 177.59 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.621 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.27 136.34 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.539 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.87 -39.84 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.183 2.589 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -38.38 14.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -171.55 3.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.208 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.5 p -147.98 156.14 43.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.225 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.01 112.9 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.2 2.6 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.3 162.91 28.82 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.64 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -78.71 178.67 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.189 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.025 2.484 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -151.49 151.42 31.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.67 145.69 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.21 158.63 38.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 70.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.995 2.464 . . . . 0.0 111.997 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp -167.99 -3.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -78.75 -48.42 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.58 -16.3 0.11 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.083 2.522 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' ACE . 4.1 p -88.58 -56.74 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.61 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.22 158.12 38.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.08 77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 112.072 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp -167.68 -145.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.494 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 4.3 tttp -161.25 -16.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.053 -1.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.512 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 -12.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.045 2.496 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.6 OUTLIER -151.38 16.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.583 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.62 165.73 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.805 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -149.24 158.23 38.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.69 66.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.023 2.482 . . . . 0.0 111.988 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.805 ' N ' ' O ' ' A' ' 5' ' ' THR . 46.9 tp -75.28 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.83 57.99 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.444 ' O7 ' ' CD1' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 147.44 32.04 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.992 2.462 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 t -88.55 156.93 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.63 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.24 158.87 36.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.017 2.478 . . . . 0.0 112.004 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.6 tp -167.73 15.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -78.56 119.73 22.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.167 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 -64.67 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.58 -70.81 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.6 174.49 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 p -147.88 156.04 44.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.8 128.85 9.17 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.027 2.485 . . . . 0.0 112.101 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.9 mp -72.09 160.09 33.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.29 105.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 2.08 7.26 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.988 2.459 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 p -88.51 43.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.54 ' H ' ' HG1' ' A' ' 4' ' ' THR . 0.8 OUTLIER -90.53 133.66 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.515 -179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.88 158.86 36.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -179.581 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 74.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.023 2.482 . . . . 0.0 111.96 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.5 tp -167.85 18.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.67 145.8 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.5 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.63 -13.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.005 2.47 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 1' ' ' ACE . 39.6 p -88.53 -46.52 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 175.39 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -148.1 156.52 43.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 142.63 4.74 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.994 2.462 . . . . 0.0 112.029 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.08 98.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.501 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.75 149.44 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.03 -47.85 24.3 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.163 1.908 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.41 -53.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.479 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.64 -171.28 3.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.758 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 p -147.93 155.73 44.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 117.2 1.65 Allowed 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 123.011 2.474 . . . . 0.0 112.295 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.47 157.93 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.73 23.44 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.117 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.442 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -16.84 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.969 2.446 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.2 OUTLIER -88.51 21.36 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.69 160.18 44.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.787 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.27 158.29 38.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 67.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.998 2.465 . . . . 0.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 5' ' ' THR . 43.7 tp -75.09 -96.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 179.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -78.73 -29.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.427 ' O7 ' ' CD1' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 -54.08 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.039 2.493 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t -88.59 24.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 -179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.7 -174.33 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.9 p -148.05 156.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 108.38 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.02 2.48 . . . . 0.0 112.008 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.678 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.27 174.17 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 -179.822 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -78.65 -179.29 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 173.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.075 2.517 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -88.56 68.7 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 152.29 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.69 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.33 158.3 38.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.058 2.505 . . . . 0.0 111.919 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.69 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.9 tp -167.95 -137.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.689 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.507 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 7.5 ttmt -161.32 161.95 30.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.15 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.425 ' O7 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 168.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.055 2.504 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 4' ' ' THR . 17.7 p -88.66 -133.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.422 ' N ' ' OG1' ' A' ' 3' ' ' THR . 12.2 p -150.42 157.33 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.2 158.84 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.013 2.475 . . . . 0.0 112.004 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp -167.29 -148.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.623 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 36.7 mtmt -78.67 -128.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.51 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 -45.17 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.076 2.517 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -151.42 157.86 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.7 p -150.68 156.01 40.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.732 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -147.04 158.7 44.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.806 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.77 70.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.045 2.497 . . . . 0.0 111.984 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp -168.02 24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.8 158.49 28.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 169.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.036 2.49 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.38 98.62 2.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.38 160.81 43.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.29 158.81 37.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 80.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.013 2.476 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.9 tp -167.21 -148.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 179.539 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 22.3 tttt -78.77 68.01 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -62.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.056 2.504 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 p -88.59 32.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.43 147.29 27.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.29 159.3 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 83.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.019 2.479 . . . . 0.0 112.071 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tt -167.04 -61.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -161.37 4.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 -20.7 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.01 2.473 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' A' ' 4' ' ' THR . 9.8 t -88.52 -50.35 6.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.466 ' N ' ' CG2' ' A' ' 3' ' ' THR . 0.3 OUTLIER -150.7 -171.53 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 p -148.2 156.1 43.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 109.4 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.003 2.468 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.51 167.57 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -78.74 112.81 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 165.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.047 2.498 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 p -151.28 -48.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.12 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -148.13 155.78 43.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 127.97 8.0 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 123.021 2.481 . . . . 0.0 111.982 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -72.14 157.57 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.71 81.88 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 155.29 40.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.067 2.511 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.48 65.87 8.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.66 151.38 32.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.32 159.6 36.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.066 2.511 . . . . 0.0 111.953 -179.395 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.45 -52.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 179.517 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 16.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 115.98 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.95 2.433 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -88.57 -19.37 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 161.02 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.98 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.699 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.23 157.84 39.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 72.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.078 2.518 . . . . 0.0 112.008 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.699 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.3 tp -168.01 20.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.762 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -124.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 163.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.045 2.496 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -88.56 4.38 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -175.9 5.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.604 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 p -147.95 156.02 44.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 116.71 1.19 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.03 2.487 . . . . 0.0 111.983 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.38 141.93 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -78.72 -104.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -47.76 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.021 2.481 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.39 17.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.42 144.01 25.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.28 157.75 39.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 70.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.048 2.499 . . . . 0.0 112.002 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -168.54 25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.612 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -78.76 -61.29 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.141 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.063 2.509 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -88.58 10.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 -172.93 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 p -147.72 156.16 44.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 128.91 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.01 2.474 . . . . 0.0 112.052 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' H ' HD13 ' A' ' 7' ' ' LEU . 2.1 mp -71.82 177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.607 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -78.69 -102.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 105.05 2.01 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.076 2.517 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.2 p -88.59 -61.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.69 172.26 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -148.36 156.04 42.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 103.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.005 2.47 . . . . 0.0 111.975 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 pp -72.45 174.83 6.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.859 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 7' ' ' LEU . 2.1 mtpm? -159.51 -171.29 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.884 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.175 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 -57.81 1.83 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 123.03 2.487 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 33.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 148.64 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.697 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.26 38.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.009 2.473 . . . . 0.0 112.014 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.697 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.0 tp -167.93 -138.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.7 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.495 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -161.29 132.32 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 113.77 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.026 2.484 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -151.45 35.67 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.63 132.0 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.74 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -150.13 158.23 36.77 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.475 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 70.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.989 2.459 . . . . 0.0 112.023 -179.542 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.74 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp -168.14 -134.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.516 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 4.3 ptpp? -161.35 -39.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.416 ' N ' ' O7 ' ' A' ' 10' ' ' A2G . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.434 ' HO3' ' HO4' ' A' ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -15.54 19.77 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.989 2.459 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.506 ' C ' ' HG1' ' A' ' 4' ' ' THR . 8.0 t -151.43 81.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.506 ' HG1' ' C ' ' A' ' 3' ' ' THR . 0.1 OUTLIER -150.65 163.35 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.992 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.31 159.33 37.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 80.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.039 2.493 . . . . 0.0 111.974 -179.391 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -166.37 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -161.1 -170.79 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.204 -1.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.438 ' C ' ' HG1' ' A' ' 3' ' ' THR . 2.8 Cg_endo -44.65 169.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.017 2.478 . . . . 0.0 112.027 . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.438 ' HG1' ' C ' ' A' ' 2' ' ' PRO . 11.0 m -151.4 66.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 179.981 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.62 -172.34 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -147.56 155.37 45.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.11 104.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.331 2.021 . . . . 0.0 112.139 -179.775 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -72.23 -175.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.395 -179.578 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -161.25 -31.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 -67.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 p -151.36 56.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.7 -168.11 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 6' ' ' PRO . 41.0 p -147.96 156.85 44.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.68 144.93 3.04 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.988 2.458 . . . . 0.0 111.987 -178.865 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.524 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 7.1 mp -71.29 -175.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 9' ' ' NH2 . 0.4 OUTLIER -161.27 -131.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . 0.469 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.116 -1.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 99.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.013 2.475 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.3 p -151.37 64.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -176.83 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -148.16 156.11 43.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.956 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.01 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.045 2.496 . . . . 0.0 111.95 -179.834 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.48 171.62 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 -179.795 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -161.2 111.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 -66.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.096 2.531 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.52 -41.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.42 ' HG1' ' H ' ' A' ' 5' ' ' THR . 7.4 t -152.06 -153.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.42 ' H ' ' HG1' ' A' ' 4' ' ' THR . 14.9 p -150.87 156.89 35.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.768 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 105.16 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.033 2.489 . . . . 0.0 111.964 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.37 174.48 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.791 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -161.3 96.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.179 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.52 -39.61 13.02 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.009 2.473 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.45 80.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 -178.25 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.9 p -146.86 164.86 21.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 152.09 37.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.041 2.494 . . . . 0.0 111.943 -178.755 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 tt -71.49 117.38 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 -179.679 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.23 11.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.961 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.149 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -67.58 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.955 2.437 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.622 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -169.85 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.553 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -148.02 155.96 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 123.47 4.7 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.014 2.476 . . . . 0.0 112.042 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.01 136.51 46.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -78.61 -66.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.098 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 124.5 5.48 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.987 2.458 . . . . 0.0 112.046 . . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.521 ' CG2' ' H ' ' A' ' 4' ' ' THR . 7.7 m -88.59 -128.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.521 ' H ' ' CG2' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.69 151.26 32.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.964 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.754 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.34 158.55 38.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 69.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.089 2.526 . . . . 0.0 111.975 -179.347 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -168.82 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.581 179.549 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -78.8 45.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.187 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 -68.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.45 -38.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -151.74 -157.26 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.983 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 p -150.88 156.61 35.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 -179.853 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -42.48 97.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.056 2.504 . . . . 0.0 111.969 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -72.47 -175.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.568 -179.884 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -78.79 -68.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 -44.95 13.52 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.013 2.475 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -88.54 122.51 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 t -151.87 -153.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 -179.997 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -151.2 157.08 35.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.815 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.41 2.22 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.069 2.513 . . . . 0.0 111.926 -179.789 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.01 138.05 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.876 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -70.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.033 2.488 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m -88.51 133.94 34.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -151.16 12.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -151.27 159.29 33.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.828 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 93.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.008 2.472 . . . . 0.0 111.994 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.79 -170.44 0.7 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.22 -49.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.6 175.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.01 2.473 . . . . 0.0 112.015 . . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.37 100.0 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -150.75 178.93 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.978 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.776 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.49 157.67 38.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.836 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 67.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.999 2.466 . . . . 0.0 112.052 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp -169.07 47.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -78.15 -162.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 -66.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.056 2.504 . . . . 0.0 111.942 . . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.48 167.25 13.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.39 163.53 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 179.928 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 p -151.59 157.11 34.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 -179.564 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 112.05 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.003 2.469 . . . . 0.0 111.973 -179.772 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.48 165.92 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 -179.795 . . . . . . . . 1 1 . 1 . 051 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.75 109.47 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 133.44 9.88 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.006 2.471 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.612 ' HG1' ' H ' ' A' ' 4' ' ' THR . 29.9 p -88.52 -104.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.976 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.612 ' H ' ' HG1' ' A' ' 3' ' ' THR . 62.2 p -150.71 156.46 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.939 . . . . . . . . 2 2 . 1 . 052 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.91 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.25 157.47 39.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.995 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 56.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.004 2.469 . . . . 0.0 112.032 -178.982 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.91 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -75.65 -78.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 179.392 . . . . . . . . 3 3 . 1 . 052 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -78.71 -121.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 -179.99 . . . . . . . . 1 1 . 1 . 052 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.45 161.42 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.973 2.449 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -88.62 117.75 27.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.958 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.947 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.916 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.23 157.69 39.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.99 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 55.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.091 2.528 . . . . 0.0 111.946 -179.046 . . . . . . . . 1 1 . 1 . 053 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.916 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -75.53 -78.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.334 . . . . . . . . 3 3 . 1 . 053 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 3.0 tppt? -78.67 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.583 179.937 . . . . . . . . 2 2 . 1 . 053 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 168.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -48.27 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.967 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 -178.75 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.697 -179.971 . . . . . . . . 2 2 . 1 . 054 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -147.89 155.51 44.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.61 108.39 0.13 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.911 2.407 . . . . 0.0 111.876 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.42 168.49 18.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -78.72 -90.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 054 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -52.12 6.36 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.034 2.489 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.42 127.58 10.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.982 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 144.5 25.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 157.48 39.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.98 . . . . . . . . 3 3 . 1 . 055 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 63.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.027 2.485 . . . . 0.0 112.007 -179.051 . . . . . . . . 1 1 . 1 . 055 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 5' ' ' THR . 24.7 tp -75.62 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 179.493 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 161.95 26.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . 0.496 ' O7 ' ' CD2' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 -58.7 1.39 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.994 2.463 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.512 ' CG2' ' H ' ' A' ' 4' ' ' THR . 6.9 m -151.37 -128.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.512 ' H ' ' CG2' ' A' ' 3' ' ' THR . 0.2 OUTLIER -150.67 -170.3 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -148.17 155.78 43.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 127.91 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.035 2.49 . . . . 0.0 111.994 -179.833 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -72.15 144.82 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.607 179.942 . . . . . . . . 1 1 . 1 . 056 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -64.17 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.026 2.484 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.432 ' CG2' ' H ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -88.58 -148.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 179.979 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.432 ' H ' ' CG2' ' A' ' 3' ' ' THR . 0.1 OUTLIER -150.65 -171.54 3.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 -179.992 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -148.21 155.79 43.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 110.23 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.026 2.484 . . . . 0.0 112.042 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.725 ' CD1' ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.04 157.19 38.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.947 . . . . . . . . 3 3 . 1 . 057 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -78.77 176.02 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 057 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 -53.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.124 2.55 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 4' ' ' THR . 10.0 t -151.5 -134.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 058 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.44 ' N ' ' OG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.7 -176.59 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 179.938 . . . . . . . . 3 3 . 1 . 058 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p -148.18 155.99 43.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 105.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.034 -179.875 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.33 173.23 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.836 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -161.29 133.52 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.0 -44.85 12.03 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.112 2.541 . . . . 0.0 112.134 . . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.1 p -88.55 149.78 23.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 059 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -147.39 155.18 46.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 107.09 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.98 2.453 . . . . 0.0 112.34 -179.464 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.32 163.42 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -78.71 -73.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.511 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 101.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.042 2.495 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -151.45 -43.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.5 t -151.98 -151.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.955 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.7 p -151.08 157.29 35.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 -179.805 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.66 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.035 2.49 . . . . 0.0 111.986 -179.871 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.2 139.97 48.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -161.26 145.98 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 060 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.479 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -14.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.025 2.483 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 1' ' ' ACE . 22.7 m -88.54 63.08 6.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -151.4 125.71 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 061 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 p -91.5 154.45 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.789 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 110.37 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.064 2.509 . . . . 0.0 112.031 -179.538 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.45 173.33 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.821 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -161.25 -42.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 -179.96 . . . . . . . . 1 1 . 1 . 061 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 166.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.042 2.495 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -88.55 84.76 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 -173.54 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 p -147.85 156.11 44.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.55 -179.949 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 129.34 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.993 2.462 . . . . 0.0 111.99 -179.745 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.401 HD11 ' H ' ' A' ' 7' ' ' LEU . 2.2 mp -72.1 101.81 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -161.15 -18.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 062 nuclear orig full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.154 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear orig full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 4' ' ' THR . 1.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.496 ' N ' ' OG1' ' A' ' 3' ' ' THR . 4.1 p -150.14 -175.64 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' ' N ' ' A' ' 7' ' ' LEU . 7.6 p -148.87 154.36 39.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.697 2.265 . . . . 0.0 111.737 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.793 0.33 . . . . 0.0 110.551 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 3' ' ' THR . 64.9 p -150.72 171.44 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.807 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.2 157.86 39.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 64.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.834 0 C-N-CA 123.032 2.488 . . . . 0.0 111.944 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.68 -171.31 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -147.99 156.0 43.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.58 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.006 2.471 . . . . 0.0 112.042 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.637 HG22 ' N ' ' A' ' 4' ' ' THR . 25.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.637 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.74 -179.55 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -148.22 156.04 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 106.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.034 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.764 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.44 170.9 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.34 159.82 35.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 84.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.044 2.496 . . . . 0.0 111.967 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.338 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.64 -178.44 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 6' ' ' PRO . 70.4 p -147.02 156.41 47.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.54 178.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.06 2.507 . . . . 0.0 111.946 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.76 -168.7 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.3 p -147.88 155.44 44.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -41.35 126.04 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.12 2.547 . . . . 0.0 112.07 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.3 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.684 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' N ' ' A' ' 4' ' ' THR . 88.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.847 0.356 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.605 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.75 149.05 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.655 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.38 38.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 75.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.06 2.506 . . . . 0.0 111.966 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.3 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.66 164.99 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.3 159.79 36.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 87.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.978 2.452 . . . . 0.0 111.996 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 159.26 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 158.58 38.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.695 0.283 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.65 -173.89 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -147.55 156.3 45.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 128.49 8.49 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.995 2.463 . . . . 0.0 112.051 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.358 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -176.09 5.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.9 p -147.89 155.94 44.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.598 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 117.59 1.54 Allowed 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 123.072 2.515 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.064 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.783 0.325 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -171.55 3.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.208 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.5 p -147.98 156.14 43.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.225 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.01 112.9 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.2 2.6 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.64 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.842 0.354 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.67 145.69 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.21 158.63 38.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 70.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.995 2.464 . . . . 0.0 111.997 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.753 0.311 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.61 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.22 158.12 38.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.08 77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 112.072 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.787 0.327 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.62 165.73 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.805 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -149.24 158.23 38.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.69 66.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.023 2.482 . . . . 0.0 111.988 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.805 ' N ' ' O ' ' A' ' 5' ' ' THR . 46.9 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.63 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.24 158.87 36.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.549 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.017 2.478 . . . . 0.0 112.004 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.6 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.762 0.315 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.6 174.49 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 p -147.88 156.04 44.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.8 128.85 9.17 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.027 2.485 . . . . 0.0 112.101 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.53 133.66 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.515 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.88 158.86 36.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -179.581 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 74.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.023 2.482 . . . . 0.0 111.96 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.5 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 175.39 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -148.1 156.52 43.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 142.63 4.74 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.994 2.462 . . . . 0.0 112.029 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.501 179.866 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.758 0.313 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.64 -171.28 3.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.758 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 p -147.93 155.73 44.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 117.2 1.65 Allowed 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 123.011 2.474 . . . . 0.0 112.295 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.435 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.802 0.334 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.69 160.18 44.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.787 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.27 158.29 38.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 67.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.998 2.465 . . . . 0.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 5' ' ' THR . 43.7 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 3' ' ' THR . 6.3 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.821 0.343 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.7 -174.33 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.9 p -148.05 156.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 108.38 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.02 2.48 . . . . 0.0 112.008 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.864 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 152.29 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.69 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.33 158.3 38.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.058 2.505 . . . . 0.0 111.919 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.69 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.9 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 4' ' ' THR . 17.7 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.422 ' N ' ' OG1' ' A' ' 3' ' ' THR . 12.2 p -150.42 157.33 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.2 158.84 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.013 2.475 . . . . 0.0 112.004 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.8 0.333 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.7 p -150.68 156.01 40.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.732 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -147.04 158.7 44.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.806 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.77 70.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.045 2.497 . . . . 0.0 111.984 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.38 160.81 43.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.29 158.81 37.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 80.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.013 2.476 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.9 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.43 147.29 27.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.29 159.3 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 83.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.019 2.479 . . . . 0.0 112.071 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.653 HG23 ' N ' ' A' ' 4' ' ' THR . 9.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.789 0.328 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.653 ' N ' HG23 ' A' ' 3' ' ' THR . 0.3 OUTLIER -150.7 -171.53 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 p -148.2 156.1 43.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 109.4 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.003 2.468 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 -179.772 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.12 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -148.13 155.78 43.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 127.97 8.0 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 123.021 2.481 . . . . 0.0 111.982 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.526 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.66 151.38 32.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.32 159.6 36.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.066 2.511 . . . . 0.0 111.953 -179.395 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 179.517 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' OG1' ' A' ' 4' ' ' THR . 8.8 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.5 ' OG1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.68 161.02 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.699 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.23 157.84 39.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 72.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.078 2.518 . . . . 0.0 112.008 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.699 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.3 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -175.9 5.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.604 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 p -147.95 156.02 44.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 116.71 1.19 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.03 2.487 . . . . 0.0 111.983 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.875 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.727 0.299 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.42 144.01 25.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.28 157.75 39.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 70.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.048 2.499 . . . . 0.0 112.002 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.612 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 -172.93 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 p -147.72 156.16 44.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 128.91 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.01 2.474 . . . . 0.0 112.052 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.533 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.607 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.69 172.26 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -148.36 156.04 42.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 103.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.005 2.47 . . . . 0.0 111.975 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.859 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.812 0.339 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 148.64 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.697 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.26 38.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.009 2.473 . . . . 0.0 112.014 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.697 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.0 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.63 132.0 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.74 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -150.13 158.23 36.77 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.475 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 70.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.989 2.459 . . . . 0.0 112.023 -179.542 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.74 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 3' ' ' THR . 8.0 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.83 0.348 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 163.35 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.31 159.33 37.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 80.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.039 2.493 . . . . 0.0 111.974 -179.391 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.684 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.728 0.299 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.62 -172.34 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -147.56 155.37 45.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.11 104.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.331 2.021 . . . . 0.0 112.139 -179.775 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.395 -179.578 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.815 0.34 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.7 -168.11 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 6' ' ' PRO . 41.0 p -147.96 156.85 44.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.68 144.93 3.04 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.988 2.458 . . . . 0.0 111.987 -178.865 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.1 mp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.753 0.311 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -176.83 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -148.16 156.11 43.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.956 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.01 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.045 2.496 . . . . 0.0 111.95 -179.834 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 -179.795 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 5' ' ' THR . 7.4 t -152.06 -153.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.606 ' N ' HG23 ' A' ' 4' ' ' THR . 14.9 p -150.87 156.89 35.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.768 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 105.16 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.033 2.489 . . . . 0.0 111.964 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.791 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.341 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 -178.25 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.9 p -146.86 164.86 21.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 152.09 37.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.041 2.494 . . . . 0.0 111.943 -178.755 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.5 tt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 -179.679 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.846 0.355 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -169.85 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.553 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -148.02 155.96 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 123.47 4.7 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.014 2.476 . . . . 0.0 112.042 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 179.816 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 4' ' ' THR . 7.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.574 ' H ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.69 151.26 32.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.964 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.754 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.34 158.55 38.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 69.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.089 2.526 . . . . 0.0 111.975 -179.347 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.581 179.549 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.744 0.307 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.607 HG23 ' N ' ' A' ' 5' ' ' THR . 5.7 t -151.74 -157.26 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.607 ' N ' HG23 ' A' ' 4' ' ' THR . 9.8 p -150.88 156.61 35.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 -179.853 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -42.48 97.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.056 2.504 . . . . 0.0 111.969 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.758 0.314 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 5' ' ' THR . 12.4 t -151.87 -153.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.532 ' N ' HG23 ' A' ' 4' ' ' THR . 20.9 p -151.2 157.08 35.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.41 2.22 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.069 2.513 . . . . 0.0 111.926 -179.789 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.876 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 4' ' ' THR . 1.3 t -151.16 12.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -151.27 159.29 33.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.828 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 93.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.008 2.472 . . . . 0.0 111.994 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 -179.895 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.528 HG23 ' N ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -150.75 178.93 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.978 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.776 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.49 157.67 38.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.836 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 67.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.999 2.466 . . . . 0.0 112.052 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.39 163.53 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 179.928 . . . . . . . . 2 2 . 1 . 051 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 p -151.59 157.11 34.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 -179.564 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 112.05 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.003 2.469 . . . . 0.0 111.973 -179.772 . . . . . . . . 1 1 . 1 . 051 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 -179.795 . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.321 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 052 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.2 p -150.71 156.46 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.91 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.25 157.47 39.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.995 . . . . . . . . 3 3 . 1 . 052 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 56.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.004 2.469 . . . . 0.0 112.032 -178.982 . . . . . . . . 1 1 . 1 . 052 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.91 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 179.392 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 053 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.947 . . . . . . . . 2 2 . 1 . 053 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.916 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.23 157.69 39.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.99 . . . . . . . . 3 3 . 1 . 053 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 55.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.091 2.528 . . . . 0.0 111.946 -179.046 . . . . . . . . 1 1 . 1 . 053 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.916 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.334 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 -178.75 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.697 -179.971 . . . . . . . . 2 2 . 1 . 054 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -147.89 155.51 44.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.61 108.39 0.13 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.911 2.407 . . . . 0.0 111.876 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.746 . . . . . . . . 0 0 . 1 . 055 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.839 0.352 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 144.5 25.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 157.48 39.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.98 . . . . . . . . 3 3 . 1 . 055 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 63.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.027 2.485 . . . . 0.0 112.007 -179.051 . . . . . . . . 1 1 . 1 . 055 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 5' ' ' THR . 24.7 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 179.493 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 4' ' ' THR . 6.9 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.554 ' H ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -150.67 -170.3 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -148.17 155.78 43.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 127.91 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.035 2.49 . . . . 0.0 111.994 -179.833 . . . . . . . . 1 1 . 1 . 056 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.607 179.942 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 4' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.555 . . . . . . . . . 2 2 . 1 . 057 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.583 ' H ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -150.65 -171.54 3.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 -179.992 . . . . . . . . 3 3 . 1 . 057 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -148.21 155.79 43.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 110.23 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.026 2.484 . . . . 0.0 112.042 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.87 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.593 HG23 ' N ' ' A' ' 4' ' ' THR . 10.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.746 0.308 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.593 ' N ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.7 -176.59 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 179.938 . . . . . . . . 3 3 . 1 . 058 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p -148.18 155.99 43.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 105.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.034 -179.875 . . . . . . . . 1 1 . 1 . 058 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.836 . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.849 0.357 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 059 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 059 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -147.39 155.18 46.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 107.09 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.98 2.453 . . . . 0.0 112.34 -179.464 . . . . . . . . 1 1 . 1 . 059 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 179.776 . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.768 0.318 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 060 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 5' ' ' THR . 13.5 t -151.98 -151.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.546 ' N ' HG23 ' A' ' 4' ' ' THR . 21.7 p -151.08 157.29 35.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 -179.805 . . . . . . . . 2 2 . 1 . 060 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.66 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.035 2.49 . . . . 0.0 111.986 -179.871 . . . . . . . . 1 1 . 1 . 060 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 -179.947 . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 061 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -151.4 125.71 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 061 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 p -91.5 154.45 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.789 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 110.37 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.064 2.509 . . . . 0.0 112.031 -179.538 . . . . . . . . 1 1 . 1 . 061 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.821 . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.853 0.359 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 062 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 -173.54 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 062 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 p -147.85 156.11 44.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.55 -179.949 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 129.34 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.993 2.462 . . . . 0.0 111.99 -179.745 . . . . . . . . 1 1 . 1 . 062 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 25.58 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.02 2.48 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 4' ' ' THR . 1.8 t -151.4 -176.77 5.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.496 ' N ' ' OG1' ' A' ' 3' ' ' THR . 4.1 p -150.14 -175.64 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' ' N ' ' A' ' 7' ' ' LEU . 7.6 p -148.87 154.36 39.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.697 2.265 . . . . 0.0 111.737 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -72.81 -164.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -78.76 42.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.124 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.438 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 -67.37 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.04 2.493 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -151.45 178.34 9.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 3' ' ' THR . 64.9 p -150.72 171.44 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.807 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.2 157.86 39.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 64.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.834 0 C-N-CA 123.032 2.488 . . . . 0.0 111.944 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -167.93 39.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -78.74 -0.86 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 168.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.052 2.501 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.4 -65.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.68 -171.31 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.461 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 21.9 p -147.99 156.0 43.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.58 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.006 2.471 . . . . 0.0 112.042 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.32 141.08 48.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -161.29 133.35 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.461 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 -53.53 4.97 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.031 2.487 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.637 HG22 ' N ' ' A' ' 4' ' ' THR . 25.4 m -151.42 -122.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.637 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.74 -179.55 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.483 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 16.7 p -148.22 156.04 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 106.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.034 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.47 172.69 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -161.26 -36.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.483 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 172.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.0 2.467 . . . . 0.0 112.017 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.48 67.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.44 170.9 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.34 159.82 35.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 84.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.044 2.496 . . . . 0.0 111.967 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -167.7 -173.07 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 179.439 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -161.34 -45.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.144 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 -28.36 2.72 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.001 2.467 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.9 p -88.57 -57.78 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.64 -178.44 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 6' ' ' PRO . 70.4 p -147.02 156.41 47.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.509 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 2.9 Cg_endo -44.54 178.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.06 2.507 . . . . 0.0 111.946 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.8 mm? -72.63 18.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.581 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -161.82 75.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.509 ' C7 ' ' O ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 170.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.06 2.506 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -151.34 152.12 32.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.534 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.76 -168.7 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.431 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 40.3 p -147.88 155.44 44.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.115 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -41.35 126.04 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.12 2.547 . . . . 0.0 112.07 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.3 mp -72.22 92.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.684 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -78.7 -57.34 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.431 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 175.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.992 2.462 . . . . 0.0 112.03 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' N ' ' A' ' 4' ' ' THR . 88.3 m -88.67 164.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.605 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.75 149.05 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.655 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.38 38.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 75.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.06 2.506 . . . . 0.0 111.966 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.3 tp -167.85 -144.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 14.5 tttm -161.23 -135.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.464 ' H8 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 -69.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.049 2.5 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 3' ' ' THR . 1.7 t -88.59 49.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.66 164.99 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.3 159.79 36.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 87.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.978 2.452 . . . . 0.0 111.996 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.546 ' CD2' ' H ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -167.64 -169.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' H ' ' CD2' ' A' ' 7' ' ' LEU . 23.3 mtmt -78.72 48.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.1 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 161.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.995 2.463 . . . . 0.0 111.937 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -88.6 21.42 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 159.26 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 158.58 38.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp -167.65 13.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -161.25 139.89 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.556 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.409 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.66 175.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.023 2.482 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -88.56 81.8 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.65 -173.89 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.446 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 40.9 p -147.55 156.3 45.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 128.49 8.49 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.995 2.463 . . . . 0.0 112.051 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp -71.94 136.66 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 19.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.131 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.446 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.39 106.38 2.26 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.972 2.448 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -88.62 27.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -176.09 5.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 24.9 p -147.89 155.94 44.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.598 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 117.59 1.54 Allowed 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 123.072 2.515 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.064 HD13 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.74 177.59 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.621 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.27 136.34 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.539 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.472 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.87 -39.84 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.183 2.589 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -38.38 14.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -171.55 3.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.208 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.492 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 20.5 p -147.98 156.14 43.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.225 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.01 112.9 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.2 2.6 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.422 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -72.3 162.91 28.82 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.64 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -78.71 178.67 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.189 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.492 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.025 2.484 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -151.49 151.42 31.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.67 145.69 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.21 158.63 38.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 70.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.995 2.464 . . . . 0.0 111.997 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp -167.99 -3.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -78.75 -48.42 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.414 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.58 -16.3 0.11 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.083 2.522 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' ACE . 4.1 p -88.58 -56.74 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.61 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.22 158.12 38.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.08 77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 112.072 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp -167.68 -145.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 4.3 tttp -161.25 -16.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.053 -1.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.512 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 -12.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.045 2.496 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.6 OUTLIER -151.38 16.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.583 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.62 165.73 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.805 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -149.24 158.23 38.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.69 66.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.023 2.482 . . . . 0.0 111.988 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.91 HD13 ' O7 ' ' A' ' 10' ' ' A2G . 46.9 tp -75.28 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -78.83 57.99 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.91 ' O7 ' HD13 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 147.44 32.04 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.992 2.462 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 t -88.55 156.93 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.63 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.24 158.87 36.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.549 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.017 2.478 . . . . 0.0 112.004 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.6 tp -167.73 15.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -78.56 119.73 22.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.167 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 -64.67 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.58 -70.81 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.6 174.49 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 32.8 p -147.88 156.04 44.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.8 128.85 9.17 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.027 2.485 . . . . 0.0 112.101 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.9 mp -72.09 160.09 33.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.29 105.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.445 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 2.08 7.26 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.988 2.459 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 p -88.51 43.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.53 133.66 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.515 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.88 158.86 36.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -179.581 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 74.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.023 2.482 . . . . 0.0 111.96 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.5 tp -167.85 18.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.67 145.8 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.5 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.63 -13.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.005 2.47 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 1' ' ' ACE . 39.6 p -88.53 -46.52 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 175.39 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 34.2 p -148.1 156.52 43.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 142.63 4.74 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.994 2.462 . . . . 0.0 112.029 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.08 98.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.501 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.75 149.44 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.411 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.03 -47.85 24.3 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.163 1.908 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.41 -53.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.479 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.64 -171.28 3.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.758 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.471 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 21.4 p -147.93 155.73 44.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 117.2 1.65 Allowed 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 123.011 2.474 . . . . 0.0 112.295 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 HD23 ' H ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -72.47 157.93 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.622 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.73 23.44 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.117 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.471 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.442 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -16.84 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.969 2.446 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.2 OUTLIER -88.51 21.36 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.69 160.18 44.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.787 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.27 158.29 38.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 67.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.998 2.465 . . . . 0.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.9 HD13 ' O7 ' ' A' ' 10' ' ' A2G . 43.7 tp -75.09 -96.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 179.373 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 22.9 mtmm -78.73 -29.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.9 ' O7 ' HD13 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 -54.08 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.039 2.493 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 3' ' ' THR . 6.3 t -88.59 24.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.7 -174.33 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.487 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 18.9 p -148.05 156.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 108.38 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.02 2.48 . . . . 0.0 112.008 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.864 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.27 174.17 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 -179.822 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -78.65 -179.29 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.487 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 173.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.075 2.517 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -88.56 68.7 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 152.29 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.69 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.33 158.3 38.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.058 2.505 . . . . 0.0 111.919 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.69 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.9 tp -167.95 -137.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.689 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 7.5 ttmt -161.32 161.95 30.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.15 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.425 ' O7 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 168.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.055 2.504 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 4' ' ' THR . 17.7 p -88.66 -133.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 ' N ' ' OG1' ' A' ' 3' ' ' THR . 12.2 p -150.42 157.33 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.2 158.84 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.013 2.475 . . . . 0.0 112.004 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp -167.29 -148.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 36.7 mtmt -78.67 -128.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.51 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.454 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 -45.17 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.076 2.517 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -151.42 157.86 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.7 p -150.68 156.01 40.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.732 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -147.04 158.7 44.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.806 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.77 70.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.045 2.497 . . . . 0.0 111.984 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp -168.02 24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.8 158.49 28.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 169.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.036 2.49 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.38 98.62 2.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.38 160.81 43.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.29 158.81 37.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 80.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.013 2.476 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.9 tp -167.21 -148.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 179.539 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 22.3 tttt -78.77 68.01 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.443 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -62.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.056 2.504 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 p -88.59 32.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.43 147.29 27.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.29 159.3 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 83.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.019 2.479 . . . . 0.0 112.071 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tt -167.04 -61.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -161.37 4.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.538 ' N ' ' H8A' ' A' ' 10' ' ' A2G . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.538 ' H8A' ' N ' ' A' ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 -20.7 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.01 2.473 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.653 HG23 ' N ' ' A' ' 4' ' ' THR . 9.8 t -88.52 -50.35 6.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.653 ' N ' HG23 ' A' ' 3' ' ' THR . 0.3 OUTLIER -150.7 -171.53 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.479 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 18.0 p -148.2 156.1 43.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 109.4 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.003 2.468 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.51 167.57 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -78.74 112.81 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.479 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 165.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.047 2.498 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 p -151.28 -48.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.12 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 23.6 p -148.13 155.78 43.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 127.97 8.0 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 123.021 2.481 . . . . 0.0 111.982 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.526 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.5 mp -72.14 157.57 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' H ' ' CD ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.71 81.88 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.452 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 155.29 40.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.067 2.511 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.48 65.87 8.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.66 151.38 32.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.32 159.6 36.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.066 2.511 . . . . 0.0 111.953 -179.395 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.45 -52.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 179.517 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 16.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 115.98 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.95 2.433 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' OG1' ' A' ' 4' ' ' THR . 8.8 t -88.57 -19.37 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.5 ' OG1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.68 161.02 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.98 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.699 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.23 157.84 39.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 72.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.078 2.518 . . . . 0.0 112.008 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.699 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.3 tp -168.01 20.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.762 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -124.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.416 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 163.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.045 2.496 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -88.56 4.38 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -175.9 5.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.604 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 22.7 p -147.95 156.02 44.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.506 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 116.71 1.19 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.03 2.487 . . . . 0.0 111.983 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.43 HD12 ' H8 ' ' A' ' 10' ' ' A2G . 4.4 tt -72.38 141.93 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -78.72 -104.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.472 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -47.76 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.021 2.481 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.39 17.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.42 144.01 25.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.28 157.75 39.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 70.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.048 2.499 . . . . 0.0 112.002 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -168.54 25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.612 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -78.76 -61.29 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.141 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.063 2.509 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -88.58 10.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 -172.93 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.437 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 34.9 p -147.72 156.16 44.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 128.91 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.01 2.474 . . . . 0.0 112.052 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.533 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.1 mp -71.82 177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.607 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -78.69 -102.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.437 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 105.05 2.01 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.076 2.517 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.2 p -88.59 -61.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.69 172.26 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.485 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 16.4 p -148.36 156.04 42.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 103.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.005 2.47 . . . . 0.0 111.975 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 pp -72.45 174.83 6.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.859 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 7' ' ' LEU . 2.1 mtpm? -159.51 -171.29 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.884 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.175 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.485 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 -57.81 1.83 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 123.03 2.487 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 33.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 148.64 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.697 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.26 38.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.009 2.473 . . . . 0.0 112.014 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.697 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.0 tp -167.93 -138.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.7 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -161.29 132.32 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.703 ' N ' ' H8 ' ' A' ' 10' ' ' A2G . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.703 ' H8 ' ' N ' ' A' ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 113.77 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.026 2.484 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -151.45 35.67 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.63 132.0 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.74 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -150.13 158.23 36.77 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.475 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 70.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.989 2.459 . . . . 0.0 112.023 -179.542 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.74 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp -168.14 -134.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' O ' ' H8 ' ' A' ' 10' ' ' A2G . 4.3 ptpp? -161.35 -39.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.416 ' N ' ' O7 ' ' A' ' 10' ' ' A2G . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.498 ' H8 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -15.54 19.77 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.989 2.459 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 3' ' ' THR . 8.0 t -151.43 81.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 163.35 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.31 159.33 37.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 80.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.039 2.493 . . . . 0.0 111.974 -179.391 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -166.37 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -161.1 -170.79 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.204 -1.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 169.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.017 2.478 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m -151.4 66.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.62 -172.34 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.49 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 25.2 p -147.56 155.37 45.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 -179.922 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.11 104.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.331 2.021 . . . . 0.0 112.139 -179.775 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -72.23 -175.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.395 -179.578 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -161.25 -31.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.49 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 -67.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 p -151.36 56.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.7 -168.11 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 6' ' ' PRO . 41.0 p -147.96 156.85 44.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.68 144.93 3.04 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.988 2.458 . . . . 0.0 111.987 -178.865 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 7' ' ' LEU . 7.1 mp -71.29 -175.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 9' ' ' NH2 . 0.4 OUTLIER -161.27 -131.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . 0.469 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.116 -1.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.41 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 99.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.013 2.475 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.3 p -151.37 64.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -176.83 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.479 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 17.8 p -148.16 156.11 43.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.01 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.045 2.496 . . . . 0.0 111.95 -179.834 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.48 171.62 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 -179.795 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -161.2 111.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.479 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 -66.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.096 2.531 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.52 -41.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 5' ' ' THR . 7.4 t -152.06 -153.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.606 ' N ' HG23 ' A' ' 4' ' ' THR . 14.9 p -150.87 156.89 35.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.768 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 105.16 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.033 2.489 . . . . 0.0 111.964 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.37 174.48 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.791 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -161.3 96.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.179 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.43 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.52 -39.61 13.02 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.009 2.473 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.45 80.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 -178.25 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.509 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 63.9 p -146.86 164.86 21.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.831 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 152.09 37.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.041 2.494 . . . . 0.0 111.943 -178.755 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 8' ' ' LYS . 1.5 tt -71.49 117.38 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.601 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -161.23 11.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.961 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.149 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.509 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -67.58 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.955 2.437 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.622 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -169.85 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.553 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.432 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 26.8 p -148.02 155.96 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.889 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 123.47 4.7 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.014 2.476 . . . . 0.0 112.042 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.01 136.51 46.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -78.61 -66.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.098 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.432 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 124.5 5.48 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.987 2.458 . . . . 0.0 112.046 . . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 4' ' ' THR . 7.7 m -88.59 -128.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.574 ' H ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.69 151.26 32.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.964 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.754 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.34 158.55 38.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 69.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.089 2.526 . . . . 0.0 111.975 -179.347 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -168.82 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.581 179.549 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -78.8 45.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.187 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 -68.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.45 -38.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.607 HG23 ' N ' ' A' ' 5' ' ' THR . 5.7 t -151.74 -157.26 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.607 ' N ' HG23 ' A' ' 4' ' ' THR . 9.8 p -150.88 156.61 35.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 -179.853 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -42.48 97.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.056 2.504 . . . . 0.0 111.969 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -72.47 -175.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.568 -179.884 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -78.79 -68.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.41 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 -44.95 13.52 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.013 2.475 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -88.54 122.51 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 5' ' ' THR . 12.4 t -151.87 -153.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.532 ' N ' HG23 ' A' ' 4' ' ' THR . 20.9 p -151.2 157.08 35.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.41 2.22 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.069 2.513 . . . . 0.0 111.926 -179.789 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.01 138.05 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.876 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -70.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.033 2.488 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m -88.51 133.94 34.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 4' ' ' THR . 1.3 t -151.16 12.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.456 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 1.1 p -151.27 159.29 33.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.828 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 93.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.008 2.472 . . . . 0.0 111.994 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.79 -170.44 0.7 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.22 -49.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.456 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.6 175.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.01 2.473 . . . . 0.0 112.015 . . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.37 100.0 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.528 HG23 ' N ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -150.75 178.93 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.978 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.776 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.49 157.67 38.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.836 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 67.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.999 2.466 . . . . 0.0 112.052 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp -169.07 47.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -78.15 -162.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.434 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 -66.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.056 2.504 . . . . 0.0 111.942 . . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.48 167.25 13.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.39 163.53 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 179.928 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 p -151.59 157.11 34.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 -179.564 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 112.05 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.003 2.469 . . . . 0.0 111.973 -179.772 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.48 165.92 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 -179.795 . . . . . . . . 1 1 . 1 . 051 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.75 109.47 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 133.44 9.88 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.006 2.471 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p -88.52 -104.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.976 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.2 p -150.71 156.46 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.91 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.25 157.47 39.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.995 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 56.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.004 2.469 . . . . 0.0 112.032 -178.982 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.91 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -75.65 -78.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 179.392 . . . . . . . . 3 3 . 1 . 052 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -78.71 -121.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 -179.99 . . . . . . . . 1 1 . 1 . 052 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.411 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.45 161.42 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.973 2.449 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -88.62 117.75 27.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.958 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.947 . . . . . . . . 2 2 . 1 . 053 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.916 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.23 157.69 39.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.99 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 55.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.091 2.528 . . . . 0.0 111.946 -179.046 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.916 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -75.53 -78.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.334 . . . . . . . . 3 3 . 1 . 053 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -78.67 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.583 179.937 . . . . . . . . 1 1 . 1 . 053 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.401 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 168.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -48.27 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.967 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 -178.75 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.697 -179.971 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.476 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 21.2 p -147.89 155.51 44.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.99 . . . . . . . . 2 2 . 1 . 054 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.61 108.39 0.13 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.911 2.407 . . . . 0.0 111.876 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.42 168.49 18.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -78.72 -90.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 054 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.476 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -52.12 6.36 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.034 2.489 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.42 127.58 10.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.982 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 144.5 25.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 157.48 39.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.98 . . . . . . . . 3 3 . 1 . 055 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 63.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.027 2.485 . . . . 0.0 112.007 -179.051 . . . . . . . . 1 1 . 1 . 055 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.841 HD13 ' O7 ' ' A' ' 10' ' ' A2G . 24.7 tp -75.62 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 179.493 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 161.95 26.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.841 ' O7 ' HD13 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 -58.7 1.39 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.994 2.463 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 4' ' ' THR . 6.9 m -151.37 -128.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.554 ' H ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -150.67 -170.3 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 23.9 p -148.17 155.78 43.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 127.91 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.035 2.49 . . . . 0.0 111.994 -179.833 . . . . . . . . 1 1 . 1 . 056 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.5 mp -72.15 144.82 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.607 179.942 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -64.17 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.451 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.026 2.484 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -88.58 -148.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 179.979 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.583 ' H ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -150.65 -171.54 3.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 -179.992 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 21.6 p -148.21 155.79 43.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.934 . . . . . . . . 2 2 . 1 . 057 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 110.23 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.026 2.484 . . . . 0.0 112.042 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.87 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.04 157.19 38.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.947 . . . . . . . . 3 3 . 1 . 057 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -78.77 176.02 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 057 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.445 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 -53.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.124 2.55 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.593 HG23 ' N ' ' A' ' 4' ' ' THR . 10.0 t -151.5 -134.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.593 ' N ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.7 -176.59 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 179.938 . . . . . . . . 3 3 . 1 . 058 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.466 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 18.4 p -148.18 155.99 43.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.915 . . . . . . . . 2 2 . 1 . 058 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 105.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.034 -179.875 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.33 173.23 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.836 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -161.29 133.52 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.466 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.0 -44.85 12.03 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.112 2.541 . . . . 0.0 112.134 . . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.1 p -88.55 149.78 23.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 39.2 p -147.39 155.18 46.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 059 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 107.09 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.98 2.453 . . . . 0.0 112.34 -179.464 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.32 163.42 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -78.71 -73.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.511 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.411 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 101.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.042 2.495 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -151.45 -43.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 5' ' ' THR . 13.5 t -151.98 -151.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.546 ' N ' HG23 ' A' ' 4' ' ' THR . 21.7 p -151.08 157.29 35.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 -179.805 . . . . . . . . 2 2 . 1 . 060 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.66 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.035 2.49 . . . . 0.0 111.986 -179.871 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.2 139.97 48.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -161.26 145.98 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 060 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear build full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.479 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -14.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.025 2.483 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 1' ' ' ACE . 22.7 m -88.54 63.08 6.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -151.4 125.71 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 24.7 p -91.5 154.45 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.789 . . . . . . . . 2 2 . 1 . 061 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 110.37 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.064 2.509 . . . . 0.0 112.031 -179.538 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.45 173.33 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.821 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -161.25 -42.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 -179.96 . . . . . . . . 1 1 . 1 . 061 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.449 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 166.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.042 2.495 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -88.55 84.76 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 -173.54 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.442 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 32.6 p -147.85 156.11 44.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.55 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 129.34 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.993 2.462 . . . . 0.0 111.99 -179.745 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.2 mp -72.1 101.81 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -161.15 -18.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 062 nuclear build full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.154 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear build full ' A' A ' 10' ' ' A2G . . . . . 0.442 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 4' ' ' THR . 1.8 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.797 0.332 . . . . 0.0 110.569 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.496 ' N ' ' OG1' ' A' ' 3' ' ' THR . 4.1 p -150.14 -175.64 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' ' N ' ' A' ' 7' ' ' LEU . 7.6 p -148.87 154.36 39.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.697 2.265 . . . . 0.0 111.737 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.793 0.33 . . . . 0.0 110.551 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 3' ' ' THR . 64.9 p -150.72 171.44 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.807 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.2 157.86 39.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 64.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.834 0 C-N-CA 123.032 2.488 . . . . 0.0 111.944 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.782 0.325 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.68 -171.31 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -147.99 156.0 43.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.58 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.006 2.471 . . . . 0.0 112.042 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.637 HG22 ' N ' ' A' ' 4' ' ' THR . 25.4 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.801 0.334 . . . . 0.0 110.563 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.637 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.74 -179.55 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.7 p -148.22 156.04 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 106.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.034 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.764 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.83 0.348 . . . . 0.0 110.526 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.44 170.9 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.34 159.82 35.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 84.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.044 2.496 . . . . 0.0 111.967 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.9 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.338 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.64 -178.44 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 6' ' ' PRO . 70.4 p -147.02 156.41 47.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.54 178.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.06 2.507 . . . . 0.0 111.946 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.883 0.373 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.76 -168.7 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.3 p -147.88 155.44 44.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -41.35 126.04 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.12 2.547 . . . . 0.0 112.07 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.3 mp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.684 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' N ' ' A' ' 4' ' ' THR . 88.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.847 0.356 . . . . 0.0 110.517 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.605 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.75 149.05 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.655 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.38 38.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 75.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.06 2.506 . . . . 0.0 111.966 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.3 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.851 0.358 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.66 164.99 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.3 159.79 36.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 87.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.978 2.452 . . . . 0.0 111.996 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.818 0.342 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 159.26 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 158.58 38.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.695 0.283 . . . . 0.0 110.535 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.65 -173.89 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.9 p -147.55 156.3 45.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 128.49 8.49 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.995 2.463 . . . . 0.0 112.051 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.358 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -176.09 5.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.9 p -147.89 155.94 44.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.598 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 117.59 1.54 Allowed 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 123.072 2.515 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.064 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.621 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.783 0.325 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -171.55 3.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.208 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.5 p -147.98 156.14 43.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.225 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.01 112.9 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.2 2.6 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.64 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.842 0.354 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.67 145.69 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.21 158.63 38.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 70.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.995 2.464 . . . . 0.0 111.997 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 120.753 0.311 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.61 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.22 158.12 38.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.08 77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 112.072 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.787 0.327 . . . . 0.0 110.583 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.62 165.73 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.805 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -149.24 158.23 38.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.69 66.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.023 2.482 . . . . 0.0 111.988 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.805 ' N ' ' O ' ' A' ' 5' ' ' THR . 46.9 tp . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.812 0.339 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.63 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.24 158.87 36.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.017 2.478 . . . . 0.0 112.004 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.6 tp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.762 0.315 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.6 174.49 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 p -147.88 156.04 44.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.8 128.85 9.17 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.027 2.485 . . . . 0.0 112.101 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.747 0.308 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.53 133.66 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.515 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.88 158.86 36.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -179.581 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 74.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.023 2.482 . . . . 0.0 111.96 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.5 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.6 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.814 0.34 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 175.39 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -148.1 156.52 43.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 142.63 4.74 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.994 2.462 . . . . 0.0 112.029 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.501 179.866 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.758 0.313 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.64 -171.28 3.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.758 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.4 p -147.93 155.73 44.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 117.2 1.65 Allowed 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 123.011 2.474 . . . . 0.0 112.295 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.802 0.334 . . . . 0.0 110.599 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.69 160.18 44.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.787 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.27 158.29 38.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 67.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.998 2.465 . . . . 0.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.787 ' N ' ' O ' ' A' ' 5' ' ' THR . 43.7 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 179.373 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 3' ' ' THR . 6.3 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.821 0.343 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.7 -174.33 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.9 p -148.05 156.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 108.38 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.02 2.48 . . . . 0.0 112.008 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.864 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 -179.822 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.827 0.346 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 152.29 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.69 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.33 158.3 38.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.058 2.505 . . . . 0.0 111.919 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.69 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.9 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 4' ' ' THR . 17.7 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.54 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.422 ' N ' ' OG1' ' A' ' 3' ' ' THR . 12.2 p -150.42 157.33 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.2 158.84 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.013 2.475 . . . . 0.0 112.004 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.8 0.333 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.7 p -150.68 156.01 40.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.732 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -147.04 158.7 44.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.806 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.77 70.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.045 2.497 . . . . 0.0 111.984 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.775 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.723 0.297 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.38 160.81 43.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.29 158.81 37.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 80.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.013 2.476 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.9 tp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 179.539 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.791 0.329 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.43 147.29 27.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.29 159.3 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 83.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.019 2.479 . . . . 0.0 112.071 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.653 HG23 ' N ' ' A' ' 4' ' ' THR . 9.8 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.789 0.328 . . . . 0.0 110.56 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.653 ' N ' HG23 ' A' ' 3' ' ' THR . 0.3 OUTLIER -150.7 -171.53 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.0 p -148.2 156.1 43.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 109.4 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.003 2.468 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 -179.772 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.835 0.35 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.12 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -148.13 155.78 43.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 -179.946 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 127.97 8.0 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 123.021 2.481 . . . . 0.0 111.982 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.526 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.822 0.344 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.66 151.38 32.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.32 159.6 36.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.066 2.511 . . . . 0.0 111.953 -179.395 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 179.517 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' OG1' ' A' ' 4' ' ' THR . 8.8 t . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.761 0.315 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.5 ' OG1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.68 161.02 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.699 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.23 157.84 39.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 72.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.078 2.518 . . . . 0.0 112.008 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.699 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.3 tp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.765 0.317 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -175.9 5.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.604 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.7 p -147.95 156.02 44.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.506 -179.902 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 116.71 1.19 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.03 2.487 . . . . 0.0 111.983 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.875 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.727 0.299 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.42 144.01 25.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.28 157.75 39.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 70.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.048 2.499 . . . . 0.0 112.002 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.612 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.833 0.349 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 -172.93 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.9 p -147.72 156.16 44.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 128.91 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.01 2.474 . . . . 0.0 112.052 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.533 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.1 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.607 179.908 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.722 0.296 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.69 172.26 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.4 p -148.36 156.04 42.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 103.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.005 2.47 . . . . 0.0 111.975 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.859 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.812 0.339 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 148.64 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.697 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.26 38.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.009 2.473 . . . . 0.0 112.014 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.697 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.0 tp . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.7 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.805 0.336 . . . . 0.0 110.537 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.63 132.0 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.74 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -150.13 158.23 36.77 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.475 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 70.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.989 2.459 . . . . 0.0 112.023 -179.542 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.74 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.753 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 3' ' ' THR . 8.0 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.83 0.348 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 163.35 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.31 159.33 37.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 80.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.039 2.493 . . . . 0.0 111.974 -179.391 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.684 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.728 0.299 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.62 -172.34 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 p -147.56 155.37 45.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.11 104.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.331 2.021 . . . . 0.0 112.139 -179.775 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.395 -179.578 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.815 0.34 . . . . 0.0 110.55 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.7 -168.11 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 6' ' ' PRO . 41.0 p -147.96 156.85 44.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.68 144.93 3.04 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.988 2.458 . . . . 0.0 111.987 -178.865 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 7' ' ' LEU . 7.1 mp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.915 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.3 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.753 0.311 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -176.83 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -148.16 156.11 43.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.956 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.01 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.045 2.496 . . . . 0.0 111.95 -179.834 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 -179.795 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.822 0.344 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 5' ' ' THR . 7.4 t -152.06 -153.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.606 ' N ' HG23 ' A' ' 4' ' ' THR . 14.9 p -150.87 156.89 35.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.768 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 105.16 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.033 2.489 . . . . 0.0 111.964 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.791 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.341 . . . . 0.0 110.558 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 -178.25 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.9 p -146.86 164.86 21.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 152.09 37.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.041 2.494 . . . . 0.0 111.943 -178.755 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.424 ' C ' HD23 ' A' ' 7' ' ' LEU . 1.5 tt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 -179.679 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.846 0.355 . . . . 0.0 110.622 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -169.85 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.553 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -148.02 155.96 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.889 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 123.47 4.7 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.014 2.476 . . . . 0.0 112.042 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 179.816 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 4' ' ' THR . 7.7 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.574 ' H ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.69 151.26 32.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.964 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.754 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.34 158.55 38.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 69.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.089 2.526 . . . . 0.0 111.975 -179.347 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.581 179.549 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.744 0.307 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.607 HG23 ' N ' ' A' ' 5' ' ' THR . 5.7 t -151.74 -157.26 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.607 ' N ' HG23 ' A' ' 4' ' ' THR . 9.8 p -150.88 156.61 35.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 -179.853 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -42.48 97.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.056 2.504 . . . . 0.0 111.969 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.568 -179.884 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.758 0.314 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 5' ' ' THR . 12.4 t -151.87 -153.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.532 ' N ' HG23 ' A' ' 4' ' ' THR . 20.9 p -151.2 157.08 35.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.41 2.22 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.069 2.513 . . . . 0.0 111.926 -179.789 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.876 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 4' ' ' THR . 1.3 t -151.16 12.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -151.27 159.29 33.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.828 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 93.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.008 2.472 . . . . 0.0 111.994 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 -179.895 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.767 0.318 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.528 HG23 ' N ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -150.75 178.93 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.978 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.776 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.49 157.67 38.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.836 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 67.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.999 2.466 . . . . 0.0 112.052 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.993 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.361 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.39 163.53 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 179.928 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 p -151.59 157.11 34.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 -179.564 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 112.05 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.003 2.469 . . . . 0.0 111.973 -179.772 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 -179.795 . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.775 0.321 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.2 p -150.71 156.46 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.91 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.25 157.47 39.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.995 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 56.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.004 2.469 . . . . 0.0 112.032 -178.982 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.91 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 179.392 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.947 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.916 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.23 157.69 39.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.99 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 55.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.091 2.528 . . . . 0.0 111.946 -179.046 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.916 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.334 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.782 0.325 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 -178.75 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.697 -179.971 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.2 p -147.89 155.51 44.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.99 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.61 108.39 0.13 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.911 2.407 . . . . 0.0 111.876 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.746 . . . . . . . . 0 0 . 1 . 055 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.839 0.352 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 144.5 25.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 157.48 39.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.98 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 63.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.027 2.485 . . . . 0.0 112.007 -179.051 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.827 ' N ' ' O ' ' A' ' 5' ' ' THR . 24.7 tp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 179.493 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 4' ' ' THR . 6.9 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.81 0.338 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.554 ' H ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -150.67 -170.3 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -148.17 155.78 43.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.986 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 127.91 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.035 2.49 . . . . 0.0 111.994 -179.833 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.5 mp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.607 179.942 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 4' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 110.555 . . . . . . . . . 2 2 . 1 . 057 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.583 ' H ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -150.65 -171.54 3.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 -179.992 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -148.21 155.79 43.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.934 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 110.23 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.026 2.484 . . . . 0.0 112.042 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.87 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.947 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.593 HG23 ' N ' ' A' ' 4' ' ' THR . 10.0 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.746 0.308 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.593 ' N ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.7 -176.59 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 179.938 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.4 p -148.18 155.99 43.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 105.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.034 -179.875 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.836 . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.849 0.357 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.2 p -147.39 155.18 46.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.111 179.863 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 107.09 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.98 2.453 . . . . 0.0 112.34 -179.464 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 179.776 . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.768 0.318 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 5' ' ' THR . 13.5 t -151.98 -151.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.546 ' N ' HG23 ' A' ' 4' ' ' THR . 21.7 p -151.08 157.29 35.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 -179.805 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.66 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.035 2.49 . . . . 0.0 111.986 -179.871 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 -179.947 . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.7 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.803 0.335 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -151.4 125.71 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.7 p -91.5 154.45 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.789 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 110.37 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.064 2.509 . . . . 0.0 112.031 -179.538 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.821 . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.853 0.359 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 -173.54 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.6 p -147.85 156.11 44.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.55 -179.949 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 129.34 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.993 2.462 . . . . 0.0 111.99 -179.745 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.2 mp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.53 25.58 0.4 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.02 2.48 . . . . 0.0 111.99 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.496 ' OG1' ' N ' ' A' ' 4' ' ' THR . 1.8 t -151.4 -176.77 5.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.569 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.496 ' N ' ' OG1' ' A' ' 3' ' ' THR . 4.1 p -150.14 -175.64 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.566 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.636 ' O ' ' N ' ' A' ' 7' ' ' LEU . 7.6 p -148.87 154.36 39.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.654 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 77.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.697 2.265 . . . . 0.0 111.737 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -72.81 -164.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -78.76 42.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.623 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 120.124 -1.61 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.438 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 -67.37 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.04 2.493 . . . . 0.0 111.964 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 4' ' ' THR . 0.1 OUTLIER -151.45 178.34 9.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.551 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 3' ' ' THR . 64.9 p -150.72 171.44 17.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.525 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.807 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.2 157.86 39.17 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.575 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 64.55 0.01 OUTLIER 'Trans proline' 0 C--N 1.303 -1.834 0 C-N-CA 123.032 2.488 . . . . 0.0 111.944 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.807 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -167.93 39.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.596 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.7 ptpt -78.74 -0.86 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 168.46 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 123.052 2.501 . . . . 0.0 111.979 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.4 -65.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.68 -171.31 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.594 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.461 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 21.9 p -147.99 156.0 43.91 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.58 1.5 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 123.006 2.471 . . . . 0.0 112.042 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.32 141.08 48.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.629 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.7 ptmm? -161.29 133.35 5.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.547 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.461 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 -53.53 4.97 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.031 2.487 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.637 HG22 ' N ' ' A' ' 4' ' ' THR . 25.4 m -151.42 -122.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.563 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.637 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.74 -179.55 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.581 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.483 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 16.7 p -148.22 156.04 43.14 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.509 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 106.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.033 2.489 . . . . 0.0 112.034 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.47 172.69 10.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.533 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -161.26 -36.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.56 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.166 -1.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.483 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 172.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 123.0 2.467 . . . . 0.0 112.017 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -151.48 67.23 0.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.44 170.9 17.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.542 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.34 159.82 35.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.612 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 84.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.044 2.496 . . . . 0.0 111.967 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -167.7 -173.07 2.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.604 179.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -161.34 -45.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.555 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.144 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.067 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 -28.36 2.72 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.001 2.467 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.9 p -88.57 -57.78 2.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.516 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.64 -178.44 6.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.465 ' O ' ' O ' ' A' ' 6' ' ' PRO . 70.4 p -147.02 156.41 47.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.575 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.509 ' O ' ' C7 ' ' A' ' 10' ' ' A2G . 2.9 Cg_endo -44.54 178.12 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 123.06 2.507 . . . . 0.0 111.946 -179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.563 HD22 ' N ' ' A' ' 7' ' ' LEU . 3.8 mm? -72.63 18.94 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.581 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' A' ' 6' ' ' PRO . 0.0 OUTLIER -161.82 75.1 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.509 ' C7 ' ' O ' ' A' ' 6' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 170.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.06 2.506 . . . . 0.0 112.024 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -151.34 152.12 32.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.534 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.76 -168.7 3.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.806 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.431 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 40.3 p -147.88 155.44 44.29 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.115 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -41.35 126.04 2.75 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.12 2.547 . . . . 0.0 112.07 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.3 mp -72.22 92.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.684 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -78.7 -57.34 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.602 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.089 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.431 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.425 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.102 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.8 Cg_endo -44.55 175.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.992 2.462 . . . . 0.0 112.03 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' N ' ' A' ' 4' ' ' THR . 88.3 m -88.67 164.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.517 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.605 ' N ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.75 149.05 29.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.655 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.38 38.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.559 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 75.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.06 2.506 . . . . 0.0 111.966 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.655 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.3 tp -167.85 -144.08 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.612 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 14.5 tttm -161.23 -135.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.609 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 120.16 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.464 ' H8 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.53 -69.8 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 123.049 2.5 . . . . 0.0 111.975 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 3' ' ' THR . 1.7 t -88.59 49.49 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.595 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 63.9 p -150.66 164.99 34.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.55 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.463 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.3 159.79 36.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.518 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 87.55 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.978 2.452 . . . . 0.0 111.996 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.546 ' CD2' ' H ' ' A' ' 8' ' ' LYS . 0.4 OUTLIER -167.64 -169.03 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.593 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.546 ' H ' ' CD2' ' A' ' 7' ' ' LEU . 23.3 mtmt -78.72 48.62 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.524 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.1 -1.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 161.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.995 2.463 . . . . 0.0 111.937 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 p -88.6 21.42 2.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.511 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 159.26 44.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.553 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.623 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 158.58 38.38 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.591 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 77.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 123.032 2.488 . . . . 0.0 112.032 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.623 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp -167.65 13.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.575 179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.0 ttpt -161.25 139.89 9.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.592 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.556 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.409 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.106 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.409 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.66 175.41 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.023 2.482 . . . . 0.0 111.949 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.425 ' H ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -88.56 81.8 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.535 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.65 -173.89 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.574 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.446 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 40.9 p -147.55 156.3 45.41 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.551 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.59 128.49 8.49 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.995 2.463 . . . . 0.0 112.051 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.4 mp -71.94 136.66 46.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.27 19.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.518 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.131 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.446 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.39 106.38 2.26 Favored 'Trans proline' 0 C--N 1.304 -1.788 0 C-N-CA 122.972 2.448 . . . . 0.0 112.01 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.8 p -88.62 27.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.577 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -176.09 5.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.56 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 24.9 p -147.89 155.94 44.27 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.598 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.74 117.59 1.54 Allowed 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 123.072 2.515 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.064 ' H ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.74 177.59 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.621 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.27 136.34 7.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.539 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.045 -1.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.472 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.87 -39.84 0.85 Allowed 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.183 2.589 . . . . 0.0 112.18 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -38.38 14.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.418 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -171.55 3.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.208 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.492 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 20.5 p -147.98 156.14 43.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.225 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.01 112.9 0.41 Allowed 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 123.2 2.6 . . . . 0.0 112.167 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.422 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -72.3 162.91 28.82 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.64 -179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -78.71 178.67 7.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.189 -1.569 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.492 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 169.04 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 123.025 2.484 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -151.49 151.42 31.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.67 145.69 26.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.567 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.737 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.21 158.63 38.32 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.543 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 70.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.995 2.464 . . . . 0.0 111.997 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.737 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.7 tp -167.99 -3.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.563 179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -78.75 -48.42 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.565 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.144 -1.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.414 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.45 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.58 -16.3 0.11 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.083 2.522 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' ACE . 4.1 p -88.58 -56.74 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.61 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.618 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.22 158.12 38.85 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.653 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -45.08 77.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.014 2.476 . . . . 0.0 112.072 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.618 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp -167.68 -145.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.631 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.457 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 4.3 tttp -161.25 -16.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.558 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.325 0 O-C-N 120.053 -1.655 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.512 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.66 -12.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 123.045 2.496 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.6 OUTLIER -151.38 16.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.583 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.62 165.73 32.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.593 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.805 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -149.24 158.23 38.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.578 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.69 66.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.023 2.482 . . . . 0.0 111.988 -179.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.91 HD13 ' O7 ' ' A' ' 10' ' ' A2G . 46.9 tp -75.28 -96.0 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -78.83 57.99 2.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.511 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 120.112 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.91 ' O7 ' HD13 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.52 147.44 32.04 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.992 2.462 . . . . 0.0 111.968 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 t -88.55 156.93 18.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.572 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.69 133.12 35.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.63 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -150.24 158.87 36.03 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 -179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 77.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.017 2.478 . . . . 0.0 112.004 -179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 5' ' ' THR . 8.6 tp -167.73 15.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.567 179.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -78.56 119.73 22.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.49 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.167 -1.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 -64.67 0.24 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 123.048 2.499 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -88.58 -70.81 0.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.56 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.6 174.49 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.629 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 32.8 p -147.88 156.04 44.29 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.58 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.8 128.85 9.17 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.027 2.485 . . . . 0.0 112.101 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.542 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.9 mp -72.09 160.09 33.06 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.456 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.29 105.87 1.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.445 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.49 2.08 7.26 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.988 2.459 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.9 p -88.51 43.36 1.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.53 133.66 34.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.515 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.88 158.86 36.74 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.572 -179.581 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 74.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 123.023 2.482 . . . . 0.0 111.96 -179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.5 tp -167.85 18.75 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.563 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -78.67 145.8 34.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.604 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.063 -1.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.5 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.23 0.058 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.63 -13.5 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 123.005 2.47 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.5 ' N ' ' O ' ' A' ' 1' ' ' ACE . 39.6 p -88.53 -46.52 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.612 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 175.39 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.571 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 34.2 p -148.1 156.52 43.54 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.577 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.68 142.63 4.74 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.994 2.462 . . . . 0.0 112.029 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.7 mp -71.08 98.35 1.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.501 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.75 149.44 32.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.557 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 120.097 -1.627 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.411 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -55.03 -47.85 24.3 Favored 'Trans proline' 0 C--N 1.312 -1.358 0 C-N-CA 122.163 1.908 . . . . 0.0 111.663 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.41 -53.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.479 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.64 -171.28 3.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.758 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.471 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 21.4 p -147.93 155.73 44.13 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.655 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -45.63 117.2 1.65 Allowed 'Trans proline' 0 C--N 1.307 -1.658 0 C-N-CA 123.011 2.474 . . . . 0.0 112.295 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -72.47 157.93 36.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.622 -179.957 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.73 23.44 0.33 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.528 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.117 -1.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.471 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.442 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 -16.84 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.969 2.446 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ACE . 0.2 OUTLIER -88.51 21.36 2.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 179.988 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.69 160.18 44.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.787 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.27 158.29 38.57 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.538 -179.987 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.66 67.3 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.998 2.465 . . . . 0.0 112.037 -179.126 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.9 HD13 ' O7 ' ' A' ' 10' ' ' A2G . 43.7 tp -75.09 -96.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 179.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 22.9 mtmm -78.73 -29.1 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.572 179.93 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 120.139 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.9 ' O7 ' HD13 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 -54.08 4.43 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 123.039 2.493 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 3' ' ' THR . 6.3 t -88.59 24.63 1.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.547 -179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.7 -174.33 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.542 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.487 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 18.9 p -148.05 156.02 43.69 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 108.38 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 123.02 2.48 . . . . 0.0 112.008 -179.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.864 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.27 174.17 7.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 -179.822 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -78.65 -179.29 6.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.077 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.487 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 173.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 123.075 2.517 . . . . 0.0 111.93 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m -88.56 68.7 8.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.609 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 152.29 33.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.557 -179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.69 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.33 158.3 38.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.566 -179.994 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 73.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 123.058 2.505 . . . . 0.0 111.919 -179.544 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.69 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.9 tp -167.95 -137.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.598 179.689 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 7.5 ttmt -161.32 161.95 30.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.542 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.15 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.425 ' O7 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 168.86 0.03 OUTLIER 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 123.055 2.504 . . . . 0.0 111.929 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.422 ' OG1' ' N ' ' A' ' 4' ' ' THR . 17.7 p -88.66 -133.64 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 ' N ' ' OG1' ' A' ' 3' ' ' THR . 12.2 p -150.42 157.33 42.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.575 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.2 158.84 38.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.624 -179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.64 81.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 123.013 2.475 . . . . 0.0 112.004 -179.272 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.2 tp -167.29 -148.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.633 179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 36.7 mtmt -78.67 -128.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.51 -179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.454 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.41 -45.17 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.076 2.517 . . . . 0.0 112.053 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -151.42 157.86 42.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.608 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.7 p -150.68 156.01 40.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.55 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.732 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -147.04 158.7 44.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 -179.806 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.77 70.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.045 2.497 . . . . 0.0 111.984 -179.65 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tp -168.02 24.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.516 179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.8 158.49 28.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.54 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 169.62 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.036 2.49 . . . . 0.0 111.95 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.38 98.62 2.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.549 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.38 160.81 43.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.29 158.81 37.96 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.607 179.989 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.49 80.71 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 123.013 2.476 . . . . 0.0 111.996 -179.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.9 tp -167.21 -148.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.598 179.539 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 22.3 tttt -78.77 68.01 4.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.547 -179.902 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.443 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -62.19 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 123.056 2.504 . . . . 0.0 112.03 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 p -88.59 32.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.4 p -150.43 147.29 27.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.29 159.3 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.581 -179.963 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 83.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 123.019 2.479 . . . . 0.0 112.071 -179.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.2 tt -167.04 -61.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.554 179.537 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.0 tptp -161.37 4.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.596 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.538 ' N ' ' H8A' ' A' ' 10' ' ' A2G . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 120.103 -1.623 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.538 ' H8A' ' N ' ' A' ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 -20.7 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 123.01 2.473 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.653 HG23 ' N ' ' A' ' 4' ' ' THR . 9.8 t -88.52 -50.35 6.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 179.963 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.653 ' N ' HG23 ' A' ' 3' ' ' THR . 0.3 OUTLIER -150.7 -171.53 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.479 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 18.0 p -148.2 156.1 43.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.542 -179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 109.4 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 123.003 2.468 . . . . 0.0 112.022 -179.874 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.51 167.57 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.528 -179.772 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tptp -78.74 112.81 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.562 -179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 120.14 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.479 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 165.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.047 2.498 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 p -151.28 -48.54 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.552 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.12 4.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.561 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 23.6 p -148.13 155.78 43.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.544 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.51 127.97 8.0 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 123.021 2.481 . . . . 0.0 111.982 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.526 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.5 mp -72.14 157.57 37.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.563 ' CD ' ' H ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -78.71 81.88 4.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.511 -179.976 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.452 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.55 155.29 40.39 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.067 2.511 . . . . 0.0 111.998 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.48 65.87 8.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.627 179.942 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.66 151.38 32.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.586 179.98 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.32 159.6 36.42 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.515 -179.922 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 93.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 123.066 2.511 . . . . 0.0 111.953 -179.395 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -165.45 -52.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.663 179.517 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 16.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.569 179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 120.048 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 115.98 0.98 Allowed 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.95 2.433 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.5 HG23 ' OG1' ' A' ' 4' ' ' THR . 8.8 t -88.57 -19.37 26.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.521 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.5 ' OG1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.68 161.02 43.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 -179.98 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.699 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.23 157.84 39.11 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.637 -179.996 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.51 72.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 123.078 2.518 . . . . 0.0 112.008 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.699 ' N ' ' O ' ' A' ' 5' ' ' THR . 1.3 tp -168.01 20.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.762 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -124.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.542 -179.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.416 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 163.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 123.045 2.496 . . . . 0.0 111.983 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 71.2 p -88.56 4.38 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.66 -175.9 5.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.604 179.968 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 22.7 p -147.95 156.02 44.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.506 -179.902 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.61 116.71 1.19 Allowed 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 123.03 2.487 . . . . 0.0 111.983 -179.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.43 HD12 ' H8 ' ' A' ' 10' ' ' A2G . 4.4 tt -72.38 141.93 48.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.61 -179.875 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -78.72 -104.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.567 -179.972 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.145 -1.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.472 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 -47.76 0.18 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.021 2.481 . . . . 0.0 112.025 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.39 17.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 179.987 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.2 p -150.42 144.01 25.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.73 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.28 157.75 39.09 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.565 -179.963 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 70.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.048 2.499 . . . . 0.0 112.002 -179.393 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.73 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -168.54 25.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.583 179.612 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -78.76 -61.29 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.564 179.966 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.141 -1.6 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.46 -53.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.063 2.509 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.6 t -88.58 10.4 20.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.598 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.7 -172.93 4.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.437 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 34.9 p -147.72 156.16 44.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.586 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 128.91 8.66 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.01 2.474 . . . . 0.0 112.052 -179.714 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.533 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.1 mp -71.82 177.95 3.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.607 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mtmm -78.69 -102.38 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.588 179.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.053 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.437 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.45 105.05 2.01 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.076 2.517 . . . . 0.0 112.02 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.2 p -88.59 -61.45 1.71 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.597 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.69 172.26 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.551 -179.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.485 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 16.4 p -148.36 156.04 42.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.561 -179.96 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 103.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.005 2.47 . . . . 0.0 111.975 -179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.8 pp -72.45 174.83 6.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.859 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' CG ' ' O ' ' A' ' 7' ' ' LEU . 2.1 mtpm? -159.51 -171.29 3.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 -179.884 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 120.175 -1.578 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.485 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.58 -57.81 1.83 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 123.03 2.487 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -88.57 33.36 0.76 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.551 -179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 148.64 28.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.6 -179.991 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.697 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.25 158.26 38.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.555 -179.97 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 72.83 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.009 2.473 . . . . 0.0 112.014 -179.681 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.697 ' N ' ' O ' ' A' ' 5' ' ' THR . 3.0 tp -167.93 -138.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.596 179.7 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' H ' ' CG ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -161.29 132.32 5.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.579 -179.961 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.703 ' N ' ' H8 ' ' A' ' 10' ' ' A2G . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.069 -1.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.703 ' H8 ' ' N ' ' A' ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 113.77 0.51 Allowed 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 123.026 2.484 . . . . 0.0 112.003 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.1 t -151.45 35.67 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.537 179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.63 132.0 36.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.57 179.973 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.74 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -150.13 158.23 36.77 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.565 -179.475 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 70.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.989 2.459 . . . . 0.0 112.023 -179.542 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.74 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp -168.14 -134.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.584 179.753 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.498 ' O ' ' H8 ' ' A' ' 10' ' ' A2G . 4.3 ptpp? -161.35 -39.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.553 -179.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.416 ' N ' ' O7 ' ' A' ' 10' ' ' A2G . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 120.135 -1.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.498 ' H8 ' ' O ' ' A' ' 8' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.125 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.43 -15.54 19.77 Favored 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.989 2.459 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 3' ' ' THR . 8.0 t -151.43 81.13 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 163.35 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.551 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.582 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.31 159.33 37.02 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.544 179.996 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.62 80.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 123.039 2.493 . . . . 0.0 111.974 -179.391 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.582 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.2 OUTLIER -166.37 -57.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.595 179.684 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -161.1 -170.79 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.567 -179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 120.204 -1.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.65 169.56 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 123.017 2.478 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.0 m -151.4 66.94 0.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.648 179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.62 -172.34 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.49 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 25.2 p -147.56 155.37 45.42 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.341 -179.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.11 104.35 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.331 2.021 . . . . 0.0 112.139 -179.775 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.598 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -72.23 -175.08 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.395 -179.578 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -161.25 -31.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.522 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.156 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.49 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.56 -67.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 123.02 2.48 . . . . 0.0 111.992 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 p -151.36 56.41 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.55 -179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.7 -168.11 3.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.565 -179.984 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.43 ' HB ' ' HD2' ' A' ' 6' ' ' PRO . 41.0 p -147.96 156.85 44.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 -179.936 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 5' ' ' THR . 2.9 Cg_endo -44.68 144.93 3.04 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.988 2.458 . . . . 0.0 111.987 -178.865 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 7' ' ' LEU . 7.1 mp -71.29 -175.15 1.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.566 179.915 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 9' ' ' NH2 . 0.4 OUTLIER -161.27 -131.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.61 -179.99 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . 0.469 ' N ' ' CG ' ' A' ' 8' ' ' LYS . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.116 -1.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.41 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.094 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.61 99.07 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 123.013 2.475 . . . . 0.0 112.002 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.3 p -151.37 64.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.7 -176.83 5.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.578 -179.953 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.479 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 17.8 p -148.16 156.11 43.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.548 -179.956 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.64 108.01 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.045 2.496 . . . . 0.0 111.95 -179.834 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.48 171.62 12.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.59 -179.795 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -161.2 111.57 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.576 -179.949 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.026 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.479 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.5 -66.22 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.096 2.531 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.52 -41.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.606 HG23 ' N ' ' A' ' 5' ' ' THR . 7.4 t -152.06 -153.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.511 179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.606 ' N ' HG23 ' A' ' 4' ' ' THR . 14.9 p -150.87 156.89 35.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.586 -179.768 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.55 105.16 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 123.033 2.489 . . . . 0.0 111.964 -179.923 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.37 174.48 7.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.529 -179.791 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -161.3 96.99 1.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.584 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.179 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.43 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.066 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -44.52 -39.61 13.02 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 123.009 2.473 . . . . 0.0 112.013 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -151.45 80.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.558 -179.968 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 -178.25 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.516 -179.946 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.509 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 63.9 p -146.86 164.86 21.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.629 -179.831 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.57 152.09 37.78 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.041 2.494 . . . . 0.0 111.943 -178.755 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 8' ' ' LYS . 1.5 tt -71.49 117.38 12.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 -179.679 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.601 ' N ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -161.23 11.44 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.961 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.149 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.509 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -67.58 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.955 2.437 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -64.25 1.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.622 179.975 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.67 -169.85 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.553 179.951 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.432 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 26.8 p -148.02 155.96 43.81 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.889 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 123.47 4.7 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 123.014 2.476 . . . . 0.0 112.042 -179.857 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.01 136.51 46.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.67 179.816 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -78.61 -66.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.632 179.981 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.098 -1.626 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.432 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.6 124.5 5.48 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.987 2.458 . . . . 0.0 112.046 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 4' ' ' THR . 7.7 m -88.59 -128.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.574 ' H ' HG22 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.69 151.26 32.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.582 -179.964 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.754 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -149.34 158.55 38.15 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.606 -179.98 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.53 69.47 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.089 2.526 . . . . 0.0 111.975 -179.347 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.754 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -168.82 27.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.581 179.549 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -78.8 45.01 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.187 -1.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.5 -68.54 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.45 -38.77 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.55 179.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.607 HG23 ' N ' ' A' ' 5' ' ' THR . 5.7 t -151.74 -157.26 0.79 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.558 179.983 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.607 ' N ' HG23 ' A' ' 4' ' ' THR . 9.8 p -150.88 156.61 35.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.329 -179.853 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -42.48 97.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.658 0 C-N-CA 123.056 2.504 . . . . 0.0 111.969 -179.695 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.596 ' N ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -72.47 -175.09 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.568 -179.884 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mtpp -78.79 -68.37 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.533 -179.97 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.41 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 -44.95 13.52 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 123.013 2.475 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 p -88.54 122.51 32.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.556 179.996 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 5' ' ' THR . 12.4 t -151.87 -153.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.543 -179.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.532 ' N ' HG23 ' A' ' 4' ' ' THR . 20.9 p -151.2 157.08 35.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.591 -179.815 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.57 119.41 2.22 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 123.069 2.513 . . . . 0.0 111.926 -179.789 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.01 138.05 47.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.581 179.876 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.65 -70.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -68.65 0.1 OUTLIER 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 123.033 2.488 . . . . 0.0 111.988 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.1 m -88.51 133.94 34.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.595 179.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 4' ' ' THR . 1.3 t -151.16 12.36 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.557 -179.902 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.456 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 1.1 p -151.27 159.29 33.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.55 -179.828 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 93.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 123.008 2.472 . . . . 0.0 111.994 -179.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.79 -170.44 0.7 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 -179.895 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -161.22 -49.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.6 -179.978 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.456 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.422 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' A' ' 1' ' ' ACE . 2.9 Cg_endo -44.6 175.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 123.01 2.473 . . . . 0.0 112.015 . . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.37 100.0 2.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.541 -179.954 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.528 HG23 ' N ' ' A' ' 5' ' ' THR . 0.7 OUTLIER -150.75 178.93 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.561 179.978 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.776 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -149.49 157.67 38.69 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.564 -179.836 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 67.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.999 2.466 . . . . 0.0 112.052 -179.88 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.776 ' N ' ' O ' ' A' ' 5' ' ' THR . 2.8 tp -169.07 47.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.554 179.993 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.8 mttt -78.15 -162.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.574 179.967 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 120.127 -1.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.434 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.67 -66.99 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 123.056 2.504 . . . . 0.0 111.942 . . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.48 167.25 13.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.546 179.977 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -91.39 163.53 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.567 179.928 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 p -151.59 157.11 34.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.583 -179.564 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.59 112.05 0.33 Allowed 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 123.003 2.469 . . . . 0.0 111.973 -179.772 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.48 165.92 23.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.585 -179.795 . . . . . . . . 1 1 . 1 . 051 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.75 109.47 13.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.566 -179.92 . . . . . . . . 2 2 . 1 . 051 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 051 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.56 133.44 9.88 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 123.006 2.471 . . . . 0.0 112.015 . . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.9 p -88.52 -104.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.655 179.976 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 62.2 p -150.71 156.46 41.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.91 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.25 157.47 39.45 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.995 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 56.19 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 123.004 2.469 . . . . 0.0 112.032 -178.982 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.91 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -75.65 -78.88 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.529 179.392 . . . . . . . . 3 3 . 1 . 052 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -78.71 -121.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.499 -179.99 . . . . . . . . 1 1 . 1 . 052 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 120.148 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 052 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.411 ' O7 ' HD23 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.45 161.42 37.48 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.973 2.449 . . . . 0.0 112.033 . . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 m -88.62 117.75 27.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -179.958 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.69 158.06 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.559 -179.947 . . . . . . . . 2 2 . 1 . 053 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.916 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -149.23 157.69 39.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.521 -179.99 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.63 55.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 123.091 2.528 . . . . 0.0 111.946 -179.046 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.916 ' N ' ' O ' ' A' ' 5' ' ' THR . 0.3 OUTLIER -75.53 -78.9 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.595 179.334 . . . . . . . . 3 3 . 1 . 053 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -78.67 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.583 179.937 . . . . . . . . 1 1 . 1 . 053 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 053 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.401 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.54 168.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 123.038 2.492 . . . . 0.0 111.982 . . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.61 -48.27 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.531 179.967 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.72 -178.75 6.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.697 -179.971 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.476 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 21.2 p -147.89 155.51 44.27 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.565 179.99 . . . . . . . . 2 2 . 1 . 054 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.61 108.39 0.13 Allowed 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.911 2.407 . . . . 0.0 111.876 179.942 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 pp -72.42 168.49 18.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.616 -179.746 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.7 mttm -78.72 -90.65 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.989 . . . . . . . . 1 1 . 1 . 054 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 054 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.476 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.159 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 -52.12 6.36 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 123.034 2.489 . . . . 0.0 112.027 . . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.42 127.58 10.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.982 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.73 144.5 25.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.993 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.827 ' O ' ' N ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -149.21 157.48 39.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.559 179.98 . . . . . . . . 3 3 . 1 . 055 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 63.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 123.027 2.485 . . . . 0.0 112.007 -179.051 . . . . . . . . 1 1 . 1 . 055 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.841 HD13 ' O7 ' ' A' ' 10' ' ' A2G . 24.7 tp -75.62 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.563 179.493 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 161.95 26.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.609 179.932 . . . . . . . . 2 2 . 1 . 055 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 120.164 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 055 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.841 ' O7 ' HD13 ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 -58.7 1.39 Allowed 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.994 2.463 . . . . 0.0 112.055 . . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 4' ' ' THR . 6.9 m -151.37 -128.34 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.624 179.926 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.554 ' H ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -150.67 -170.3 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.58 -179.998 . . . . . . . . 3 3 . 1 . 056 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 23.9 p -148.17 155.78 43.31 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 127.91 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 123.035 2.49 . . . . 0.0 111.994 -179.833 . . . . . . . . 1 1 . 1 . 056 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.5 mp -72.15 144.82 48.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.607 179.942 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.77 -64.17 1.24 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.574 -179.924 . . . . . . . . 2 2 . 1 . 056 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 056 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.451 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.47 -54.93 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 123.026 2.484 . . . . 0.0 112.04 . . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -88.58 -148.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.555 179.979 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.583 ' H ' HG22 ' A' ' 3' ' ' THR . 0.1 OUTLIER -150.65 -171.54 3.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.593 -179.992 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 21.6 p -148.21 155.79 43.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.596 -179.934 . . . . . . . . 2 2 . 1 . 057 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.48 110.23 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 123.026 2.484 . . . . 0.0 112.042 -179.941 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.87 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.04 157.19 38.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.947 . . . . . . . . 3 3 . 1 . 057 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -78.77 176.02 9.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.554 -179.992 . . . . . . . . 1 1 . 1 . 057 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.115 -1.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 057 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.445 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.163 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.53 -53.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 123.124 2.55 . . . . 0.0 111.967 . . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.593 HG23 ' N ' ' A' ' 4' ' ' THR . 10.0 t -151.5 -134.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.639 179.975 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.593 ' N ' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -150.7 -176.59 5.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.554 179.938 . . . . . . . . 3 3 . 1 . 058 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.466 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 18.4 p -148.18 155.99 43.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.915 . . . . . . . . 2 2 . 1 . 058 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.56 105.61 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 123.028 2.485 . . . . 0.0 112.034 -179.875 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.33 173.23 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.567 -179.836 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.5 tttm -161.29 133.52 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.576 179.973 . . . . . . . . 1 1 . 1 . 058 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.132 -1.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 058 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.466 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -44.0 -44.85 12.03 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 123.112 2.541 . . . . 0.0 112.134 . . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.1 p -88.55 149.78 23.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.38 179.96 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -150.68 -175.44 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.945 -179.931 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 39.2 p -147.39 155.18 46.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.111 179.863 . . . . . . . . 2 2 . 1 . 059 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.26 107.09 0.11 Allowed 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.98 2.453 . . . . 0.0 112.34 -179.464 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 pp -72.32 163.42 27.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.959 0.409 . . . . 0.0 110.106 179.776 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -78.71 -73.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.511 -179.847 . . . . . . . . 1 1 . 1 . 059 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 120.057 -1.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 059 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.411 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.63 101.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 123.042 2.495 . . . . 0.0 111.984 . . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.0 m -151.45 -43.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.546 -179.925 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.546 HG23 ' N ' ' A' ' 5' ' ' THR . 13.5 t -151.98 -151.96 0.41 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 -179.955 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.546 ' N ' HG23 ' A' ' 4' ' ' THR . 21.7 p -151.08 157.29 35.35 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.575 -179.805 . . . . . . . . 2 2 . 1 . 060 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.62 117.66 1.53 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 123.035 2.49 . . . . 0.0 111.986 -179.871 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.2 139.97 48.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -161.26 145.98 13.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.569 179.987 . . . . . . . . 1 1 . 1 . 060 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.17 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 060 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.479 ' O ' ' N ' ' A' ' 3' ' ' THR . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -44.6 -14.48 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 123.025 2.483 . . . . 0.0 111.936 . . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 1' ' ' ACE . 22.7 m -88.54 63.08 6.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.545 -179.96 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -151.4 125.71 9.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.574 179.998 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 24.7 p -91.5 154.45 44.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.567 -179.789 . . . . . . . . 2 2 . 1 . 061 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 110.37 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.669 0 C-N-CA 123.064 2.509 . . . . 0.0 112.031 -179.538 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.45 173.33 8.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.611 -179.821 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -161.25 -42.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 -179.96 . . . . . . . . 1 1 . 1 . 061 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 120.146 -1.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 061 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.449 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.57 166.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 123.042 2.495 . . . . 0.0 112.07 . . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 p -88.55 84.76 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.557 179.987 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -150.65 -173.54 4.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.596 179.934 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.442 HG21 ' H5 ' ' A' ' 10' ' ' A2G . 32.6 p -147.85 156.11 44.39 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.55 -179.949 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -44.55 129.34 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.993 2.462 . . . . 0.0 111.99 -179.745 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 7' ' ' LEU . 2.2 mp -72.1 101.81 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.99 . . . . . . . . 2 2 . 1 . 062 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -161.15 -18.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.568 179.986 . . . . . . . . 1 1 . 1 . 062 nuclear nobuild full ' A' A ' 9' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.154 -1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 062 nuclear nobuild full ' A' A ' 10' ' ' A2G . . . . . 0.442 ' H5 ' HG21 ' A' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_