data_2gmg_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 2gmg _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 ' 9' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.509 2.484 0 N-CA-C 113.819 1.044 . . . . 1.0 113.819 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.91 -36.91 59.27 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 126.036 1.734 . . . . 1.0 114.395 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -79.44 -43.85 22.5 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.559 1.543 . . . . 1.0 112.443 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HD3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -51.54 -38.82 56.03 Favored 'General case' 0 N--CA 1.532 3.632 0 O-C-N 124.914 1.384 . . . . 1.0 113.334 177.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' ILE . 3.9 mtp180 -71.4 -38.23 71.48 Favored 'General case' 0 C--N 1.41 3.239 0 C-N-CA 125.623 1.569 . . . . 1.0 111.628 174.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.0 -32.55 73.03 Favored 'General case' 0 N--CA 1.517 2.92 0 O-C-N 125.342 1.651 . . . . 1.0 111.768 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -72.05 -35.57 69.37 Favored 'General case' 0 C--N 1.402 2.849 0 C-N-CA 127.307 2.243 . . . . 1.0 113.592 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.4 mt -59.55 -48.92 85.58 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.237 0 C-N-CA 126.255 1.822 . . . . 1.0 109.076 175.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -4.2 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.099 0 C-N-CA 126.797 2.039 . . . . 1.0 114.09 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -96.81 -42.26 8.05 Favored 'General case' 0 C--N 1.402 2.859 0 C-N-CA 125.603 1.561 . . . . 1.0 111.859 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.35 -35.62 23.1 Favored 'General case' 0 C--N 1.404 2.96 0 C-N-CA 125.223 1.409 . . . . 1.0 113.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 HD11 HG23 ' A' ' 16' ' ' ILE . 23.6 mt -70.94 -11.13 60.79 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.89 1.811 . . . . 1.0 115.89 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.47 -22.94 23.4 Favored 'General case' 0 C--N 1.421 3.688 0 C-N-CA 127.82 2.448 . . . . 1.0 113.054 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.05 -28.43 15.11 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.618 1.567 . . . . 1.0 112.34 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.61 -169.39 17.84 Favored Glycine 0 C--N 1.385 3.304 0 O-C-N 124.91 1.382 . . . . 1.0 113.4 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.566 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.8 p-10 -122.57 127.82 49.94 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.079 1.351 . . . . 1.0 109.075 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 44.1 m-85 -136.71 140.98 43.05 Favored 'General case' 0 C--O 1.258 1.548 0 C-N-CA 125.909 1.684 . . . . 1.0 109.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -75.1 158.81 83.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 CA-C-O 115.502 -2.189 . . . . 1.0 111.594 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.01 -47.74 22.46 Favored 'Trans proline' 1 C--N 1.465 6.664 0 C-N-CA 123.242 2.628 . . . . 1.0 115.043 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 m -60.95 -33.88 73.87 Favored 'General case' 0 C--N 1.396 2.609 0 C-N-CA 125.612 1.565 . . . . 1.0 113.997 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -71.81 -34.61 69.5 Favored 'General case' 0 N--CA 1.527 3.388 0 C-N-CA 126.221 1.808 . . . . 1.0 111.55 176.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -3.77 14.97 Favored 'General case' 0 N--CA 1.524 3.244 0 O-C-N 125.219 1.574 . . . . 1.0 114.681 171.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.02 -29.33 10.97 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 127.048 2.139 . . . . 1.0 112.469 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -42.84 80.86 Favored 'General case' 0 C--N 1.408 3.112 0 C-N-CA 125.007 1.323 . . . . 1.0 112.561 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.08 76.92 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.608 3.205 0 C-N-CA 126.478 1.911 . . . . 1.0 108.054 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.552 HD22 ' HD3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.578 0 C-N-CA 129.942 3.297 . . . . 1.0 110.662 -175.172 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.663 -1.161 . . . . 1.0 113.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.412 ' O ' HD21 ' A' ' 46' ' ' LEU . 85.3 mttt -71.7 -54.17 11.15 Favored 'General case' 0 N--CA 1.516 2.858 0 C-N-CA 126.293 1.837 . . . . 1.0 114.65 -177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -72.34 -33.93 67.67 Favored 'General case' 0 N--CA 1.522 3.169 0 C-N-CA 125.519 1.528 . . . . 1.0 114.103 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.49 -46.28 83.63 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.015 0 O-C-N 125.217 1.573 . . . . 1.0 110.473 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.273 0.1 OUTLIER -70.13 -37.77 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.723 0 O-C-N 125.61 1.819 . . . . 1.0 112.277 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.639 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.93 -35.22 79.49 Favored 'General case' 0 C--N 1.397 2.653 0 C-N-CA 127.196 2.199 . . . . 1.0 114.639 177.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.25 -29.47 57.49 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.018 1.327 . . . . 1.0 110.788 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.43 -34.49 78.41 Favored 'General case' 0 C--N 1.408 3.132 0 C-N-CA 126.174 1.79 . . . . 1.0 111.454 171.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.639 HD13 ' HA ' ' A' ' 46' ' ' LEU . 5.5 mt -66.22 -35.89 81.6 Favored 'General case' 0 C--N 1.408 3.12 0 C-N-CA 126.2 1.8 . . . . 1.0 113.24 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.86 -36.65 84.63 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 126.441 1.896 . . . . 1.0 112.062 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.608 HG11 HH21 ' A' ' 13' ' ' ARG . 1.4 t -76.41 -41.0 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.081 0 C-N-CA 126.615 1.966 . . . . 1.0 109.652 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mt -67.61 -44.67 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 125.825 1.65 . . . . 1.0 111.481 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.1 m -56.51 -30.93 63.6 Favored 'General case' 0 N--CA 1.537 3.913 0 N-CA-C 115.873 1.805 . . . . 1.0 115.873 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -77.54 -36.84 51.92 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 125.765 1.626 . . . . 1.0 113.985 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.24 -36.31 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 0 C-N-CA 125.332 1.453 . . . . 1.0 113.373 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.454 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.45 -32.05 72.01 Favored 'General case' 0 C--N 1.408 3.118 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -82.82 -27.82 30.61 Favored 'General case' 0 N--CA 1.526 3.367 0 O-C-N 124.832 1.333 . . . . 1.0 111.225 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -75.03 -29.69 60.86 Favored 'General case' 0 N--CA 1.522 3.143 0 O-C-N 125.941 2.025 . . . . 1.0 113.033 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 12.4 pt-20 -87.45 6.53 33.53 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 125.37 1.669 . . . . 1.0 111.938 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.34 31.15 76.33 Favored Glycine 0 C--N 1.387 3.412 0 CA-C-O 118.03 -1.428 . . . . 1.0 115.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.51 144.03 44.02 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.703 2.001 . . . . 1.0 110.122 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.28 126.98 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 124.457 1.098 . . . . 1.0 111.608 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.584 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -98.36 123.88 42.72 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 125.461 1.725 . . . . 1.0 109.754 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.74 122.26 45.71 Favored 'General case' 0 C--O 1.26 1.657 0 O-C-N 125.42 1.7 . . . . 1.0 109.615 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -111.47 126.49 68.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 O-C-N 125.961 2.038 . . . . 1.0 106.763 -179.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -82.02 130.68 59.36 Favored Pre-proline 0 CA--C 1.578 2.023 0 O-C-N 125.429 1.706 . . . . 1.0 109.966 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.81 125.86 16.92 Favored 'Trans proline' 1 C--N 1.453 6.027 0 C-N-CA 122.958 2.439 . . . . 1.0 115.742 -175.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 140.68 58.21 Favored 'General case' 0 N--CA 1.51 2.575 0 CA-C-N 113.387 -1.733 . . . . 1.0 109.593 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -139.1 152.6 47.63 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.574 0.953 . . . . 1.0 113.574 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.4 t -86.82 116.22 24.76 Favored 'General case' 0 C--N 1.385 2.11 0 O-C-N 125.417 1.698 . . . . 1.0 106.867 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -83.26 -11.65 57.56 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 127.227 2.211 . . . . 1.0 115.092 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -90.83 -45.19 8.95 Favored 'General case' 0 C--N 1.381 1.945 0 C-N-CA 125.515 1.526 . . . . 1.0 113.499 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.48 ' HG ' ' HB2' ' A' ' 75' ' ' PHE . 10.8 p -97.75 -20.16 17.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 125.476 1.735 . . . . 1.0 114.48 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.25 -18.86 56.57 Favored Glycine 0 C--N 1.388 3.454 0 O-C-N 124.27 0.981 . . . . 1.0 113.471 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.48 ' HB2' ' HG ' ' A' ' 73' ' ' CYS . 2.8 t80 -52.3 131.91 33.49 Favored 'General case' 0 C--N 1.409 3.194 0 O-C-N 125.562 1.39 . . . . 1.0 112.016 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.98 124.94 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 126.021 2.076 . . . . 1.0 110.006 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -99.24 146.93 25.68 Favored 'General case' 0 C--N 1.37 1.468 0 O-C-N 126.032 2.082 . . . . 1.0 111.256 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -64.92 140.74 58.9 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.287 1.035 . . . . 1.0 112.595 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.83 119.91 5.15 Favored 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 125.61 1.564 . . . . 1.0 112.034 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -127.07 163.71 23.16 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 125.024 1.453 . . . . 1.0 112.143 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -99.96 -87.18 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.578 0 CA-C-N 112.131 -2.304 . . . . 1.0 106.63 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -59.23 139.51 56.88 Favored 'General case' 0 N--CA 1.522 3.158 0 O-C-N 124.3 1.0 . . . . 1.0 110.398 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -95.97 132.21 27.48 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-O 116.621 -1.656 . . . . 1.0 114.885 -172.061 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.51 144.02 31.62 Favored 'Trans proline' 1 C--N 1.455 6.15 0 C-N-CA 122.917 2.411 . . . . 1.0 112.18 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 m -80.36 -20.62 43.71 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 124.162 0.914 . . . . 1.0 113.107 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -145.51 148.64 33.44 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 127.346 2.259 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.607 3.15 0 CA-C-O 116.843 -1.551 . . . . 1.0 112.912 177.188 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 CA--C 1.574 1.892 0 CA-C-O 120.972 0.415 . . . . 1.0 111.936 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -98.09 86.35 3.68 Favored 'General case' 0 C--N 1.393 2.468 0 C-N-CA 125.992 1.717 . . . . 1.0 109.843 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.82 134.27 64.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 111.479 -2.601 . . . . 1.0 106.609 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.59 132.1 33.99 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 125.449 1.718 . . . . 1.0 108.629 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.13 132.28 82.55 Favored Pre-proline 0 C--N 1.382 2.011 0 CA-C-O 117.304 -1.331 . . . . 1.0 113.931 -176.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.81 155.73 47.44 Favored 'Trans proline' 1 C--N 1.46 6.418 0 C-N-CA 123.223 2.615 . . . . 1.0 114.375 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 87.8 mtt180 -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 124.584 1.178 . . . . 1.0 109.138 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 65' ' ' ILE . 97.0 m-85 -108.69 125.11 51.53 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 125.287 1.617 . . . . 1.0 110.175 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.566 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 19.9 mttt -138.27 149.3 45.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 125.183 1.552 . . . . 1.0 111.252 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.584 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -116.74 126.33 52.97 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 124.869 1.355 . . . . 1.0 109.355 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.36 131.13 55.64 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.127 1.517 . . . . 1.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -98.15 116.25 29.99 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 126.026 2.079 . . . . 1.0 111.953 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.1 mttt . . . . . 3 N--CA 1.588 6.446 0 C-N-CA 128.414 2.686 . . . . 1.0 112.4 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 114.642 1.349 . . . . 1.0 114.642 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.61 -33.02 47.74 Favored 'General case' 0 C--N 1.376 1.75 0 O-C-N 124.884 1.365 . . . . 1.0 114.27 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -84.26 -26.32 28.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.86 -43.68 95.37 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 126.682 2.489 . . . . 1.0 114.417 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HA ' HD11 ' A' ' 16' ' ' ILE . 72.7 mtt180 -69.45 -38.75 77.92 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-N 113.931 -1.486 . . . . 1.0 114.063 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.09 -36.57 83.54 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 127.105 2.753 . . . . 1.0 112.113 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -67.6 -31.38 71.39 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 124.56 1.162 . . . . 1.0 113.428 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 7.0 mt -65.23 -48.43 83.56 Favored 'Isoleucine or valine' 0 C--N 1.378 1.816 0 O-C-N 124.493 1.12 . . . . 1.0 111.574 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -76.54 -0.93 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.039 0 O-C-N 125.269 1.606 . . . . 1.0 114.08 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -98.25 -45.8 6.06 Favored 'General case' 0 C--N 1.39 2.326 0 CA-C-N 113.872 -1.513 . . . . 1.0 114.065 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -28.13 22.95 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 125.022 1.451 . . . . 1.0 113.627 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.1 -11.01 60.39 Favored 'General case' 0 C--N 1.399 2.729 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 -178.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -13.59 41.89 Favored 'General case' 0 C--N 1.424 3.836 0 C-N-CA 124.641 1.176 . . . . 1.0 112.029 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -101.1 -26.35 13.72 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 124.315 1.009 . . . . 1.0 113.366 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.86 -165.45 19.97 Favored Glycine 0 CA--C 1.482 -1.995 0 O-C-N 125.038 1.461 . . . . 1.0 112.244 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.87 134.64 55.03 Favored 'General case' 0 C--O 1.267 2.012 0 CA-C-O 121.449 0.642 . . . . 1.0 109.481 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.556 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 24.4 m-85 -142.3 144.27 33.17 Favored 'General case' 0 CA--C 1.469 -2.147 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.47 155.31 85.69 Favored Pre-proline 0 C--O 1.262 1.728 0 O-C-N 124.42 1.075 . . . . 1.0 110.246 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HB3' ' HB ' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -53.48 -39.36 82.46 Favored 'Trans proline' 1 C--N 1.428 4.743 0 C-N-CA 122.934 2.423 . . . . 1.0 115.328 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.1 m -68.42 -28.47 67.1 Favored 'General case' 0 C--N 1.392 2.442 0 O-C-N 124.188 0.93 . . . . 1.0 113.147 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 19.7 mt-10 -74.89 -36.49 62.25 Favored 'General case' 0 C--N 1.396 2.614 0 O-C-N 125.229 1.581 . . . . 1.0 113.158 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.36 -64.01 0.95 Allowed 'General case' 0 C--N 1.368 1.404 0 O-C-N 127.721 3.138 . . . . 1.0 108.804 178.501 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.566 ' HA ' HD11 ' A' ' 34' ' ' LEU . . . -50.54 -20.29 1.13 Allowed 'General case' 0 C--N 1.389 2.317 0 C-N-CA 125.174 1.389 . . . . 1.0 114.03 174.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -73.04 -44.61 60.56 Favored 'General case' 0 C--N 1.427 3.954 0 C-N-CA 124.939 1.296 . . . . 1.0 111.785 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 30' ' ' LEU . 1.1 tt -83.33 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.238 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.291 -1.937 0 CA-C-O 121.138 0.494 . . . . 1.0 110.874 -174.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.53 ' O ' HG12 ' A' ' 45' ' ' ILE . 12.2 p . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 95.9 mttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.752 1.221 . . . . 1.0 114.139 -177.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -71.22 -30.26 66.14 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 126.313 2.258 . . . . 1.0 112.804 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' H ' HG21 ' A' ' 44' ' ' VAL . 2.4 t -68.53 -45.99 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 113.704 -1.589 . . . . 1.0 110.866 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 41' ' ' SER . 17.2 mm -74.05 -32.56 33.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 O-C-N 126.06 2.1 . . . . 1.0 112.366 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -65.95 -39.77 90.75 Favored 'General case' 0 CA--C 1.563 1.479 0 O-C-N 125.781 1.926 . . . . 1.0 112.49 178.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 14.7 mt-10 -76.95 -27.43 54.8 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 126.513 2.383 . . . . 1.0 111.732 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.471 ' O ' HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -64.56 -31.34 72.52 Favored 'General case' 0 C--N 1.401 2.808 0 O-C-N 124.908 1.38 . . . . 1.0 111.672 174.314 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -33.29 75.4 Favored 'General case' 0 C--N 1.385 2.145 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 95.6 mttt -63.06 -39.44 94.73 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 126.655 2.472 . . . . 1.0 113.423 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.483 ' H ' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -79.6 -38.56 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.627 1.571 . . . . 1.0 112.972 178.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -67.7 -38.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 O-C-N 125.116 1.51 . . . . 1.0 112.763 177.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -60.69 -29.81 69.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.865 2.603 . . . . 1.0 114.157 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -73.61 -34.34 65.0 Favored 'General case' 0 C--N 1.39 2.358 0 O-C-N 124.572 1.17 . . . . 1.0 113.502 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt -85.31 -41.03 15.31 Favored 'Isoleucine or valine' 0 C--N 1.362 1.121 0 O-C-N 125.076 1.485 . . . . 1.0 111.242 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.91 63.59 Favored 'General case' 0 C--N 1.391 2.408 0 O-C-N 125.859 1.975 . . . . 1.0 114.455 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.27 -33.88 19.11 Favored 'General case' 0 C--N 1.399 2.729 0 O-C-N 126.31 2.256 . . . . 1.0 113.474 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.15 -19.08 60.68 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 128.207 3.442 . . . . 1.0 110.164 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.96 4.88 46.6 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 113.764 -1.562 . . . . 1.0 112.805 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.28 29.2 74.35 Favored Glycine 0 C--N 1.392 3.645 0 CA-C-N 115.014 -0.994 . . . . 1.0 114.758 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.9 mtm -113.51 149.94 33.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.595 0.758 . . . . 1.0 109.54 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.39 125.52 72.66 Favored 'Isoleucine or valine' 0 C--O 1.258 1.547 0 CA-C-N 114.846 -1.07 . . . . 1.0 111.18 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.1 126.62 46.36 Favored 'General case' 0 C--O 1.264 1.856 0 O-C-N 125.404 1.69 . . . . 1.0 110.009 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 128.96 54.87 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 124.735 1.272 . . . . 1.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.93 130.65 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 124.741 1.275 . . . . 1.0 107.891 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.99 134.99 55.56 Favored Pre-proline 0 C--N 1.378 1.811 0 O-C-N 125.513 1.758 . . . . 1.0 110.857 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.47 125.09 12.85 Favored 'Trans proline' 0 C--N 1.41 3.78 0 N-CA-C 117.338 2.015 . . . . 1.0 117.338 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 139.11 58.28 Favored 'General case' 0 C--O 1.272 2.267 0 CA-C-N 110.972 -2.831 . . . . 1.0 109.35 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.613 ' HG3' HG11 ' A' ' 76' ' ' VAL . 2.1 tt0 -136.48 150.08 48.51 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.784 -173.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.482 ' HA ' HG23 ' A' ' 95' ' ' ILE . 59.7 m -86.93 119.13 26.81 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.799 -1.926 . . . . 1.0 105.799 174.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -90.45 -1.85 57.92 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -97.61 -46.82 5.87 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.704 1.002 . . . . 1.0 113.704 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.01 -21.39 18.03 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 125.223 1.577 . . . . 1.0 113.47 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.46 -18.71 57.0 Favored Glycine 0 C--N 1.382 3.105 0 O-C-N 124.651 1.219 . . . . 1.0 113.627 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -53.17 134.25 38.98 Favored 'General case' 0 C--N 1.401 2.828 0 O-C-N 125.558 1.387 . . . . 1.0 112.495 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.613 HG11 ' HG3' ' A' ' 69' ' ' GLN . 15.5 t -104.47 128.5 57.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 125.952 2.032 . . . . 1.0 109.496 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -99.48 148.75 23.92 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.453 1.721 . . . . 1.0 111.492 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -64.12 149.31 47.94 Favored 'General case' 0 C--O 1.277 2.517 0 O-C-N 125.073 1.483 . . . . 1.0 110.071 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 127.73 32.97 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 124.554 1.159 . . . . 1.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.56 167.77 21.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 114.285 -1.325 . . . . 1.0 111.091 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.468 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -103.59 -80.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.732 0 O-C-N 125.614 1.821 . . . . 1.0 109.55 179.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.31 144.1 54.52 Favored 'General case' 0 C--O 1.277 2.506 0 O-C-N 125.456 1.723 . . . . 1.0 107.141 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mt -104.47 135.4 19.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 124.674 1.234 . . . . 1.0 110.138 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -74.37 152.16 43.78 Favored 'Trans proline' 1 C--N 1.417 4.137 0 C-N-CA 122.131 1.887 . . . . 1.0 114.339 172.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.9 m -88.2 -24.73 23.2 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 125.361 1.663 . . . . 1.0 112.209 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -143.61 143.41 31.47 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 124.122 0.889 . . . . 1.0 110.322 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.388 2.262 0 CA-C-O 118.066 -0.969 . . . . 1.0 111.185 175.282 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 CA--C 1.593 2.631 0 CA-C-O 119.386 -0.34 . . . . 1.0 111.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.98 91.94 3.95 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 126.244 2.215 . . . . 1.0 110.344 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 70' ' ' CYS . 0.2 OUTLIER -124.79 150.48 29.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 CA-C-N 114.672 -1.149 . . . . 1.0 110.103 -177.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.08 132.4 34.8 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 125.049 1.468 . . . . 1.0 110.484 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.72 141.13 51.41 Favored Pre-proline 0 C--N 1.37 1.467 0 O-C-N 125.07 1.481 . . . . 1.0 111.324 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.22 157.61 48.85 Favored 'Trans proline' 1 C--N 1.417 4.159 0 C-N-CA 122.203 1.935 . . . . 1.0 115.477 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -107.93 136.79 47.05 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 125.778 1.924 . . . . 1.0 110.171 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.423 ' O ' HD21 ' A' ' 20' ' ' LEU . 98.6 m-85 -116.22 125.71 52.62 Favored 'General case' 0 CA--C 1.485 -1.556 0 O-C-N 125.096 1.498 . . . . 1.0 110.724 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -141.32 157.28 45.41 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 124.323 1.014 . . . . 1.0 110.533 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.45 129.89 55.64 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 124.068 0.855 . . . . 1.0 110.006 178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.79 134.5 55.1 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.726 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -75.63 142.85 42.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 114.633 -1.167 . . . . 1.0 109.977 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 2 N--CA 1.564 5.243 0 C-N-CA 126.501 1.92 . . . . 1.0 110.491 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 114.455 1.28 . . . . 1.0 114.455 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.69 71.04 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 p -84.25 -38.18 20.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 124.85 1.344 . . . . 1.0 113.591 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.58 -40.94 98.24 Favored 'General case' 0 C--N 1.396 2.599 0 O-C-N 126.258 2.224 . . . . 1.0 113.493 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.708 ' HA ' HD13 ' A' ' 16' ' ' ILE . 83.5 mtt180 -70.86 -39.19 73.04 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.778 -1.555 . . . . 1.0 113.236 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -65.94 -34.33 77.87 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 126.787 2.554 . . . . 1.0 112.244 175.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.274 0.984 . . . . 1.0 113.329 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 13' ' ' ARG . 7.7 mt -65.49 -45.53 92.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 0 O-C-N 124.502 1.126 . . . . 1.0 111.716 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.486 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -78.4 3.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 O-C-N 125.026 1.454 . . . . 1.0 113.792 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.47 -44.05 6.32 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.25 -1.341 . . . . 1.0 113.379 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.64 -31.59 21.02 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 124.839 1.337 . . . . 1.0 112.77 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.69 -11.43 60.84 Favored 'General case' 0 C--N 1.401 2.83 0 O-C-N 124.629 1.206 . . . . 1.0 113.816 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -15.16 31.54 Favored 'General case' 0 C--N 1.417 3.529 0 C-N-CA 124.481 1.112 . . . . 1.0 111.908 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.55 -26.83 13.09 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 124.452 1.095 . . . . 1.0 113.002 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -155.56 -166.61 15.9 Favored Glycine 0 CA--C 1.484 -1.882 0 O-C-N 125.069 1.481 . . . . 1.0 111.772 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.551 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -125.85 132.55 52.18 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 122.916 0.486 . . . . 1.0 109.872 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.28 145.79 41.7 Favored 'General case' 0 CA--C 1.471 -2.06 0 O-C-N 124.186 0.929 . . . . 1.0 110.009 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -78.5 158.2 76.52 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 124.562 1.164 . . . . 1.0 109.983 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -50.11 -46.57 27.7 Favored 'Trans proline' 1 C--N 1.424 4.506 0 C-N-CA 123.462 2.775 . . . . 1.0 115.906 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 m -62.11 -32.7 73.3 Favored 'General case' 0 C--N 1.396 2.607 0 O-C-N 125.235 1.584 . . . . 1.0 113.001 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -35.92 66.39 Favored 'General case' 0 C--N 1.404 2.952 0 O-C-N 125.209 1.568 . . . . 1.0 113.188 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.15 0.76 8.85 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 125.419 1.699 . . . . 1.0 111.958 173.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.38 -26.14 12.56 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-N 113.681 -1.599 . . . . 1.0 110.621 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -65.09 -42.4 94.11 Favored 'General case' 0 C--N 1.391 2.411 0 O-C-N 124.309 1.006 . . . . 1.0 111.646 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -84.73 86.21 2.25 Favored 'Isoleucine or valine' 0 C--O 1.285 2.929 0 C-N-CA 124.406 1.082 . . . . 1.0 109.373 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.291 -1.947 0 CA-C-O 121.271 0.558 . . . . 1.0 111.007 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 112.779 0.659 . . . . 1.0 112.779 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.24 -49.94 51.65 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 113.982 1.104 . . . . 1.0 113.982 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -74.29 -31.63 62.58 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 125.54 1.775 . . . . 1.0 113.12 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.53 -44.92 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 125.274 1.609 . . . . 1.0 111.586 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -24.72 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.196 0 O-C-N 126.481 2.363 . . . . 1.0 112.892 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.2 -35.56 66.37 Favored 'General case' 0 N--CA 1.425 -1.684 0 O-C-N 127.029 2.706 . . . . 1.0 114.684 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -78.13 -27.66 48.31 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 127.139 2.774 . . . . 1.0 111.443 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.75 -30.61 71.3 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 124.758 1.286 . . . . 1.0 112.309 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.04 -33.8 76.31 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.658 -1.155 . . . . 1.0 112.694 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.11 -36.39 83.42 Favored 'General case' 0 C--N 1.377 1.766 0 O-C-N 125.589 1.805 . . . . 1.0 113.126 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -42.74 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.884 1.274 . . . . 1.0 112.132 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.635 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.1 mt -68.72 -37.4 77.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 O-C-N 125.935 2.022 . . . . 1.0 112.456 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.9 -28.48 67.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 126.52 2.388 . . . . 1.0 113.856 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -74.25 -34.31 63.58 Favored 'General case' 0 C--N 1.388 2.255 0 O-C-N 124.319 1.012 . . . . 1.0 113.544 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.93 -39.86 13.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 125.131 1.52 . . . . 1.0 111.816 -178.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.49 66.36 Favored 'General case' 0 C--N 1.391 2.38 0 O-C-N 125.375 1.672 . . . . 1.0 114.468 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.41 -32.16 16.55 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 126.683 2.489 . . . . 1.0 112.594 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -74.67 -18.72 60.49 Favored 'General case' 0 N--CA 1.517 2.909 0 O-C-N 127.902 3.251 . . . . 1.0 110.125 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.27 5.24 42.73 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 113.79 -1.55 . . . . 1.0 112.67 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.74 73.3 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 114.926 -1.034 . . . . 1.0 114.588 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -116.09 148.71 39.97 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 123.348 0.659 . . . . 1.0 109.377 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.94 129.38 68.69 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-N 114.92 -1.036 . . . . 1.0 111.038 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.67 127.45 45.78 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 125.248 1.593 . . . . 1.0 110.169 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.5 129.95 56.44 Favored 'General case' 0 C--O 1.261 1.684 0 O-C-N 124.523 1.139 . . . . 1.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.79 135.25 52.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.114 0 CA-C-N 114.95 -1.023 . . . . 1.0 108.251 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -80.46 135.14 53.71 Favored Pre-proline 0 C--N 1.379 1.867 0 O-C-N 125.25 1.594 . . . . 1.0 110.799 178.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 24.3 Cg_exo -68.24 119.81 6.8 Favored 'Trans proline' 0 C--N 1.411 3.867 0 N-CA-C 117.27 1.988 . . . . 1.0 117.27 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 96' ' ' GLU . . . -70.4 142.16 52.09 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.102 -2.772 . . . . 1.0 109.552 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.71 158.65 43.67 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.568 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.424 ' HA ' HG22 ' A' ' 95' ' ' ILE . 66.2 m -85.03 122.02 28.65 Favored 'General case' 0 C--O 1.271 2.213 0 O-C-N 125.919 2.012 . . . . 1.0 107.36 172.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -86.08 -5.23 59.25 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 114.273 1.212 . . . . 1.0 114.273 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -93.71 -46.35 7.28 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 114.158 1.17 . . . . 1.0 114.158 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.4 p -98.35 -18.11 18.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.194 1.559 . . . . 1.0 113.613 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.44 -16.35 60.86 Favored Glycine 0 C--N 1.381 3.037 0 O-C-N 124.156 0.91 . . . . 1.0 113.739 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.99 134.72 37.81 Favored 'General case' 0 C--N 1.399 2.739 0 O-C-N 125.38 1.282 . . . . 1.0 111.779 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.04 127.42 66.95 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 O-C-N 125.18 1.55 . . . . 1.0 110.821 -175.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -101.22 149.76 23.67 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 125.235 1.585 . . . . 1.0 111.735 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.34 154.98 36.75 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 125.165 1.541 . . . . 1.0 110.063 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.21 129.02 38.5 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.927 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.93 163.56 28.89 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.289 -1.323 . . . . 1.0 111.026 -172.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.485 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -104.27 -81.1 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.612 0 O-C-N 124.719 1.262 . . . . 1.0 108.707 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.2 138.94 58.49 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.186 -1.783 . . . . 1.0 106.186 172.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.501 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -94.05 147.21 33.04 Favored Pre-proline 0 CA--C 1.569 1.676 0 O-C-N 124.615 1.197 . . . . 1.0 113.172 -175.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -80.31 158.16 22.89 Favored 'Trans proline' 0 C--N 1.397 3.107 0 C-N-CA 121.737 1.625 . . . . 1.0 114.96 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -98.54 -26.55 14.38 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 125.468 1.73 . . . . 1.0 111.613 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -143.7 144.45 31.86 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 124.186 0.929 . . . . 1.0 110.149 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.38 1.933 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.534 176.323 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 . . . . . 0 CA--C 1.582 2.208 0 N-CA-C 112.376 0.51 . . . . 1.0 112.376 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.55 92.72 4.31 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 125.798 1.936 . . . . 1.0 111.218 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.424 HG22 ' HA ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -125.48 149.05 29.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.44 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.624 -177.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.408 ' O ' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -87.49 132.79 33.9 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 124.226 0.954 . . . . 1.0 110.495 178.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 140.07 49.89 Favored Pre-proline 0 C--O 1.255 1.385 0 O-C-N 124.717 1.261 . . . . 1.0 111.279 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -64.64 158.12 51.88 Favored 'Trans proline' 1 C--N 1.416 4.097 0 C-N-CA 121.805 1.67 . . . . 1.0 115.528 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -109.52 141.46 41.96 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 113.476 -1.693 . . . . 1.0 109.943 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.51 129.89 56.19 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.444 1.715 . . . . 1.0 111.313 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -139.67 152.86 47.07 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.482 1.114 . . . . 1.0 110.668 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.12 125.14 53.62 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 124.374 1.046 . . . . 1.0 109.186 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.85 140.16 52.74 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.979 -1.009 . . . . 1.0 110.251 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -84.76 152.37 23.73 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.759 1.287 . . . . 1.0 110.105 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 tttt . . . . . 2 N--CA 1.56 5.056 0 C-N-CA 126.54 1.936 . . . . 1.0 110.864 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 113.698 0.999 . . . . 1.0 113.698 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.53 54.15 Favored 'General case' 0 C--N 1.381 1.971 0 O-C-N 124.554 1.159 . . . . 1.0 113.807 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -80.84 -35.43 32.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.393 1.058 . . . . 1.0 113.251 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -60.92 -38.65 86.51 Favored 'General case' 0 C--N 1.402 2.859 0 O-C-N 126.871 2.607 . . . . 1.0 112.728 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -70.2 -36.12 74.39 Favored 'General case' 0 C--N 1.391 2.387 0 O-C-N 125.289 1.618 . . . . 1.0 113.254 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 17' ' ' ILE . 17.3 mt-10 -65.44 -34.82 79.18 Favored 'General case' 0 C--N 1.383 2.05 0 O-C-N 126.642 2.464 . . . . 1.0 112.345 176.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -65.33 -33.77 76.76 Favored 'General case' 0 C--N 1.39 2.359 0 O-C-N 124.622 1.201 . . . . 1.0 113.086 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 5.1 mt -67.43 -47.27 81.36 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 124.59 1.181 . . . . 1.0 110.772 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.522 HG21 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -11.46 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.08 0 O-C-N 125.074 1.484 . . . . 1.0 113.796 177.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.01 -41.89 8.16 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.206 -1.815 . . . . 1.0 114.038 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -24.65 22.57 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 125.555 1.785 . . . . 1.0 114.151 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -79.64 -9.93 59.71 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 114.648 1.351 . . . . 1.0 114.648 -177.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -11.31 50.83 Favored 'General case' 0 C--N 1.415 3.421 0 C-N-CA 124.35 1.06 . . . . 1.0 112.598 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.02 -25.26 13.51 Favored 'General case' 0 C--N 1.375 1.709 0 O-C-N 124.553 1.158 . . . . 1.0 113.343 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.8 -170.17 27.26 Favored Glycine 0 CA--C 1.481 -2.063 0 O-C-N 125.05 1.469 . . . . 1.0 111.96 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.62 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -118.17 131.7 56.38 Favored 'General case' 0 C--O 1.268 2.057 0 C-N-CA 123.018 0.527 . . . . 1.0 110.009 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 40.2 m-85 -138.74 144.83 39.64 Favored 'General case' 0 CA--C 1.465 -2.324 0 O-C-N 124.434 1.084 . . . . 1.0 109.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 159.28 71.99 Favored Pre-proline 0 N--CA 1.434 -1.249 0 CA-C-O 117.499 -1.238 . . . . 1.0 110.256 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HB3' HG21 ' A' ' 45' ' ' ILE . 12.2 Cg_endo -49.84 -46.19 28.76 Favored 'Trans proline' 1 C--N 1.425 4.58 0 C-N-CA 123.422 2.748 . . . . 1.0 115.646 177.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -61.0 -32.39 71.97 Favored 'General case' 0 C--N 1.406 3.023 0 O-C-N 125.265 1.603 . . . . 1.0 113.042 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 1.8 mt-10 -73.61 -36.25 65.45 Favored 'General case' 0 C--N 1.406 3.037 0 O-C-N 125.685 1.865 . . . . 1.0 112.718 175.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -2.87 16.76 Favored 'General case' 0 C--N 1.406 3.043 0 O-C-N 125.661 1.851 . . . . 1.0 111.764 172.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.29 -30.18 11.65 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-N 113.431 -1.713 . . . . 1.0 110.363 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -65.1 -46.52 80.74 Favored 'General case' 0 C--N 1.398 2.69 0 C-N-CA 124.31 1.044 . . . . 1.0 111.568 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -83.01 80.26 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.239 0 C-N-CA 124.669 1.188 . . . . 1.0 108.1 175.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 CA-C-N 118.415 0.552 . . . . 1.0 109.609 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.514 0 N-CA-C 112.6 0.592 . . . . 1.0 112.6 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 74.5 mttt -70.02 -48.93 56.06 Favored 'General case' 0 C--N 1.377 1.772 0 N-CA-C 114.319 1.229 . . . . 1.0 114.319 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.93 -33.13 61.93 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 125.256 1.597 . . . . 1.0 113.463 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.55 -43.79 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 125.298 1.624 . . . . 1.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -73.55 -24.82 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.137 0 O-C-N 126.539 2.399 . . . . 1.0 112.639 176.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -71.22 -38.76 72.0 Favored 'General case' 0 C--N 1.362 1.127 0 O-C-N 126.054 2.096 . . . . 1.0 112.234 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.52 -27.12 58.59 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 126.97 2.669 . . . . 1.0 111.829 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.466 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.8 m-20 -66.07 -32.43 73.89 Favored 'General case' 0 C--N 1.393 2.483 0 O-C-N 124.98 1.425 . . . . 1.0 112.078 173.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.45 -34.13 76.57 Favored 'General case' 0 C--N 1.391 2.406 0 CA-C-N 114.652 -1.158 . . . . 1.0 112.743 174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -63.92 -37.95 89.28 Favored 'General case' 0 C--N 1.376 1.729 0 O-C-N 125.334 1.646 . . . . 1.0 113.073 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.41 -44.73 26.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.148 0 CA-C-N 114.499 -1.228 . . . . 1.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.747 ' HA ' HD11 ' A' ' 55' ' ' ILE . 1.7 mt -64.72 -39.91 87.27 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 O-C-N 126.533 2.396 . . . . 1.0 112.44 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -58.85 -29.55 67.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 127.068 2.73 . . . . 1.0 113.421 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -72.58 -33.8 66.99 Favored 'General case' 0 C--N 1.398 2.694 0 O-C-N 124.809 1.318 . . . . 1.0 113.351 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' HA ' ' A' ' 52' ' ' ILE . 0.6 OUTLIER -86.14 -39.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 125.129 1.518 . . . . 1.0 111.344 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.43 65.23 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 125.45 1.718 . . . . 1.0 114.212 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -87.67 -35.16 18.15 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 125.99 2.056 . . . . 1.0 113.023 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -71.27 -20.3 62.24 Favored 'General case' 0 N--CA 1.516 2.836 0 O-C-N 127.693 3.12 . . . . 1.0 110.428 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.05 5.92 44.59 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 113.718 -1.583 . . . . 1.0 113.075 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 31.32 79.39 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 114.966 -1.015 . . . . 1.0 115.025 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.8 147.91 39.16 Favored 'General case' 0 C--N 1.377 1.799 0 C-N-CA 123.404 0.681 . . . . 1.0 109.313 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.49 124.68 70.37 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-N 114.738 -1.119 . . . . 1.0 111.353 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 124.74 48.09 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 125.358 1.661 . . . . 1.0 110.05 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.62 130.92 54.29 Favored 'General case' 0 C--O 1.262 1.711 0 O-C-N 124.98 1.425 . . . . 1.0 111.246 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.93 132.39 63.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 O-C-N 124.751 1.282 . . . . 1.0 108.127 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 3.1 mttt -80.18 134.33 55.92 Favored Pre-proline 0 C--N 1.38 1.906 0 O-C-N 125.732 1.895 . . . . 1.0 110.8 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 24.5 Cg_exo -67.94 124.54 11.96 Favored 'Trans proline' 0 C--N 1.412 3.892 0 N-CA-C 117.308 2.003 . . . . 1.0 117.308 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.2 140.68 54.6 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.087 -2.778 . . . . 1.0 109.972 176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -139.25 159.64 41.69 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.357 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.6 t -88.71 123.57 33.27 Favored 'General case' 0 C--O 1.273 2.339 0 O-C-N 125.988 2.055 . . . . 1.0 107.116 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -89.67 -6.2 56.37 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.25 -46.57 7.33 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.3 -20.1 18.77 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 125.598 1.811 . . . . 1.0 113.28 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.67 58.74 Favored Glycine 0 C--N 1.387 3.373 0 O-C-N 124.543 1.152 . . . . 1.0 113.622 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.81 134.59 48.01 Favored 'General case' 0 C--N 1.404 2.94 0 O-C-N 125.424 1.308 . . . . 1.0 111.815 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.84 127.94 62.0 Favored 'Isoleucine or valine' 0 C--O 1.265 1.889 0 O-C-N 125.726 1.891 . . . . 1.0 111.376 -175.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -99.54 151.6 20.97 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.405 1.69 . . . . 1.0 111.494 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -64.18 149.17 48.38 Favored 'General case' 0 C--O 1.275 2.44 0 O-C-N 124.956 1.41 . . . . 1.0 109.946 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.73 127.28 30.69 Favored 'General case' 0 C--N 1.377 1.769 0 O-C-N 124.711 1.257 . . . . 1.0 110.636 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -137.42 169.15 18.28 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 114.403 -1.272 . . . . 1.0 110.675 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.499 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -102.59 -81.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 CA-C-N 112.924 -1.943 . . . . 1.0 109.395 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -61.59 147.04 46.95 Favored 'General case' 0 C--O 1.28 2.666 0 O-C-N 125.378 1.674 . . . . 1.0 107.361 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.33 135.71 19.3 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 124.677 1.236 . . . . 1.0 110.335 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -74.69 152.34 42.29 Favored 'Trans proline' 1 C--N 1.417 4.165 0 C-N-CA 122.061 1.841 . . . . 1.0 114.267 172.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m -85.56 -25.09 26.95 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 125.367 1.667 . . . . 1.0 112.022 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 86' ' ' ARG . 30.8 mtt180 -143.36 143.81 31.81 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 124.313 1.008 . . . . 1.0 110.184 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.384 2.084 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.261 175.768 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.779 -0.629 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -102.74 94.66 5.73 Favored 'General case' 0 C--O 1.252 1.193 0 O-C-N 125.772 1.92 . . . . 1.0 112.664 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.32 147.27 30.03 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-N 114.241 -1.345 . . . . 1.0 109.458 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.11 131.73 35.81 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 124.935 1.397 . . . . 1.0 110.648 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.29 143.22 44.65 Favored Pre-proline 0 C--N 1.369 1.425 0 O-C-N 124.901 1.375 . . . . 1.0 110.655 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -65.95 157.78 57.5 Favored 'Trans proline' 1 C--N 1.415 4.031 0 C-N-CA 122.594 2.196 . . . . 1.0 115.754 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -109.35 137.86 46.58 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-N 113.657 -1.61 . . . . 1.0 109.858 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.42 126.29 54.8 Favored 'General case' 0 C--O 1.257 1.476 0 O-C-N 125.014 1.446 . . . . 1.0 110.795 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.62 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -141.28 154.69 45.87 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.609 1.193 . . . . 1.0 110.878 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.99 128.86 55.2 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 124.353 1.033 . . . . 1.0 109.72 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -119.57 136.87 54.17 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 114.936 -1.029 . . . . 1.0 109.684 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.64 147.11 35.74 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.486 1.116 . . . . 1.0 110.054 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 2 N--CA 1.559 4.999 0 C-N-CA 126.508 1.923 . . . . 1.0 111.195 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.578 0.955 . . . . 1.0 113.578 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 124.364 1.04 . . . . 1.0 113.749 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -81.19 -37.82 28.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 124.199 0.937 . . . . 1.0 113.176 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.74 -38.3 89.98 Favored 'General case' 0 C--N 1.392 2.454 0 O-C-N 126.937 2.648 . . . . 1.0 112.474 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.747 ' HA ' HD13 ' A' ' 16' ' ' ILE . 6.5 mtp180 -70.48 -36.76 74.04 Favored 'General case' 0 C--N 1.386 2.176 0 O-C-N 124.847 1.342 . . . . 1.0 112.588 174.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -65.39 -34.5 78.45 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 126.285 2.241 . . . . 1.0 112.176 176.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -67.36 -30.83 70.73 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.437 1.085 . . . . 1.0 112.979 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 13' ' ' ARG . 5.9 mt -66.53 -48.29 80.96 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 O-C-N 124.312 1.007 . . . . 1.0 111.432 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -77.04 -1.01 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.829 0 O-C-N 124.822 1.326 . . . . 1.0 113.736 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -102.47 -42.98 5.78 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-N 114.223 -1.353 . . . . 1.0 113.398 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -25.93 21.77 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 124.917 1.386 . . . . 1.0 113.443 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -78.51 -9.56 59.38 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -177.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -11.64 48.24 Favored 'General case' 0 C--N 1.41 3.225 0 C-N-CA 124.368 1.067 . . . . 1.0 112.161 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -104.08 -26.14 12.7 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 124.415 1.072 . . . . 1.0 113.104 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.24 -165.06 17.29 Favored Glycine 0 CA--C 1.487 -1.714 0 O-C-N 124.763 1.289 . . . . 1.0 112.074 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.73 133.73 55.32 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 115.372 -0.414 . . . . 1.0 110.234 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.423 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 33.5 m-85 -140.96 143.02 34.29 Favored 'General case' 0 CA--C 1.472 -2.049 0 O-C-N 124.145 0.903 . . . . 1.0 109.576 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 159.85 76.45 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 117.827 -1.082 . . . . 1.0 110.597 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.655 ' HB3' HG23 ' A' ' 45' ' ' ILE . 13.9 Cg_endo -50.95 -45.5 35.96 Favored 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 123.149 2.566 . . . . 1.0 115.71 177.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.1 m -61.54 -31.37 71.39 Favored 'General case' 0 C--N 1.395 2.575 0 O-C-N 125.063 1.477 . . . . 1.0 112.737 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -74.53 -36.81 63.16 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 125.258 1.599 . . . . 1.0 112.648 176.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -1.78 13.0 Favored 'General case' 0 C--N 1.402 2.849 0 O-C-N 125.04 1.462 . . . . 1.0 111.699 172.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.36 -29.01 11.49 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 113.811 -1.541 . . . . 1.0 110.438 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -64.74 -45.1 87.88 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 124.419 1.074 . . . . 1.0 111.198 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -83.52 84.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.279 2.613 0 C-N-CA 124.543 1.137 . . . . 1.0 108.926 174.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.444 -3.129 0 N-CA-C 112.798 0.666 . . . . 1.0 112.798 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 112.737 0.643 . . . . 1.0 112.737 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 45' ' ' ILE . 64.1 mttt -71.04 -54.05 12.54 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 114.187 1.18 . . . . 1.0 114.187 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.519 ' HA ' HD13 ' A' ' 46' ' ' LEU . 49.2 mttt -75.09 -32.29 61.42 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 125.038 1.462 . . . . 1.0 113.809 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -67.85 -38.27 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 125.5 1.75 . . . . 1.0 112.223 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.48 -25.0 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 O-C-N 125.615 1.822 . . . . 1.0 112.937 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 43' ' ' LYS . 22.0 mt -72.86 -37.26 67.45 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 126.155 2.159 . . . . 1.0 112.63 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.78 56.05 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 126.307 2.255 . . . . 1.0 111.316 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.538 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.9 m-20 -67.12 -30.81 70.91 Favored 'General case' 0 C--N 1.388 2.273 0 O-C-N 124.585 1.178 . . . . 1.0 112.101 173.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.45 -33.47 75.21 Favored 'General case' 0 C--N 1.385 2.114 0 CA-C-N 114.759 -1.11 . . . . 1.0 112.699 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -36.52 84.35 Favored 'General case' 0 C--N 1.372 1.57 0 O-C-N 125.328 1.643 . . . . 1.0 113.002 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.534 HG13 HH21 ' A' ' 13' ' ' ARG . 2.2 t -76.15 -44.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 124.508 1.123 . . . . 1.0 111.439 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 48' ' ' ASP . 30.6 mm -70.72 -33.44 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 125.539 1.774 . . . . 1.0 113.394 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 m -61.73 -30.53 70.83 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 127.348 2.905 . . . . 1.0 113.507 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -72.65 -33.21 66.43 Favored 'General case' 0 C--N 1.387 2.216 0 O-C-N 124.785 1.303 . . . . 1.0 113.145 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.31 -39.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 124.835 1.334 . . . . 1.0 111.49 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.97 -24.19 64.21 Favored 'General case' 0 C--N 1.388 2.258 0 O-C-N 125.238 1.586 . . . . 1.0 114.086 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -89.56 -34.51 16.33 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 125.879 1.987 . . . . 1.0 112.953 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.32 -19.25 61.69 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 127.343 2.902 . . . . 1.0 110.378 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.62 5.85 46.26 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-N 114.05 -1.432 . . . . 1.0 112.78 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.93 31.32 80.13 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 115.044 -0.98 . . . . 1.0 114.684 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -115.3 148.85 38.71 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 123.274 0.63 . . . . 1.0 109.534 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.26 125.0 72.39 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-N 114.869 -1.059 . . . . 1.0 111.205 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -99.62 126.39 45.61 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.069 1.481 . . . . 1.0 110.389 176.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.21 129.75 55.86 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 124.454 1.096 . . . . 1.0 111.06 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 134.62 53.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 108.643 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -78.64 133.64 62.55 Favored Pre-proline 0 C--O 1.259 1.594 0 O-C-N 125.285 1.616 . . . . 1.0 110.609 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.5 122.84 10.35 Favored 'Trans proline' 0 C--N 1.41 3.815 0 N-CA-C 117.065 1.91 . . . . 1.0 117.065 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB3' ' HG3' ' A' ' 98' ' ' PRO . . . -69.15 141.09 54.68 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 111.552 -2.567 . . . . 1.0 110.187 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -138.97 157.88 45.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.268 -0.878 . . . . 1.0 111.461 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 50.4 m -88.95 123.61 33.46 Favored 'General case' 0 C--O 1.269 2.118 0 O-C-N 125.229 1.58 . . . . 1.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -84.41 -10.62 57.38 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 114.923 1.453 . . . . 1.0 114.923 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.515 ' HD2' ' HB2' ' A' ' 94' ' ' TRP . 28.7 mttt -93.18 -47.6 6.87 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 114.337 1.236 . . . . 1.0 114.337 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.3 p -96.52 -19.02 19.41 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.903 1.377 . . . . 1.0 113.327 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.63 -16.23 61.21 Favored Glycine 0 C--N 1.381 3.028 0 O-C-N 124.132 0.895 . . . . 1.0 113.849 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.79 133.47 42.38 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 125.408 1.299 . . . . 1.0 111.864 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.16 128.09 63.89 Favored 'Isoleucine or valine' 0 C--O 1.259 1.581 0 O-C-N 125.492 1.745 . . . . 1.0 111.136 -174.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -100.23 149.54 23.46 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 125.155 1.534 . . . . 1.0 111.837 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 148.48 51.82 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 125.008 1.443 . . . . 1.0 110.284 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.57 120.54 14.16 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.255 0.972 . . . . 1.0 111.198 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -126.39 177.61 6.35 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.942 -1.481 . . . . 1.0 110.533 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.523 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -103.14 -83.59 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 CA-C-N 113.857 -1.519 . . . . 1.0 109.531 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -59.58 142.28 53.09 Favored 'General case' 0 C--O 1.273 2.324 0 O-C-N 125.567 1.792 . . . . 1.0 107.44 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.85 140.27 21.83 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 124.568 1.167 . . . . 1.0 112.959 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -80.46 151.95 20.14 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 121.224 1.283 . . . . 1.0 114.956 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m -86.42 -17.77 33.49 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 125.023 1.452 . . . . 1.0 111.014 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -149.4 146.26 27.38 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 124.213 1.005 . . . . 1.0 110.193 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.369 1.424 0 O-C-N 124.603 1.189 . . . . 1.0 110.048 177.127 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.064 -0.97 . . . . 1.0 113.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.515 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -93.94 93.93 8.18 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 126.353 2.283 . . . . 1.0 113.961 -176.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.69 139.96 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 114.446 -1.252 . . . . 1.0 108.009 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.3 134.92 35.01 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.793 1.933 . . . . 1.0 109.759 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.63 146.19 60.17 Favored Pre-proline 0 C--N 1.368 1.397 0 O-C-N 123.991 0.807 . . . . 1.0 111.846 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.485 ' HG3' ' HB3' ' A' ' 68' ' ' ALA . 23.1 Cg_exo -72.0 162.72 40.99 Favored 'Trans proline' 0 C--N 1.409 3.753 0 C-N-CA 122.209 1.939 . . . . 1.0 115.493 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.83 138.86 49.04 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 113.757 -1.565 . . . . 1.0 109.638 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -112.82 128.03 56.33 Favored 'General case' 0 C--O 1.254 1.328 0 O-C-N 124.961 1.413 . . . . 1.0 111.399 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -137.82 150.02 46.84 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 124.484 1.115 . . . . 1.0 110.806 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -120.73 131.35 54.48 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 123.853 0.721 . . . . 1.0 109.865 178.228 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -119.09 134.08 55.41 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 115.184 -0.916 . . . . 1.0 109.963 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.52 120.53 40.45 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 124.984 1.428 . . . . 1.0 111.052 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.6 mttt . . . . . 2 N--CA 1.56 5.045 0 C-N-CA 126.815 2.046 . . . . 1.0 111.956 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 114.174 1.176 . . . . 1.0 114.174 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.75 56.35 Favored 'General case' 0 C--N 1.372 1.574 0 O-C-N 125.002 1.439 . . . . 1.0 113.932 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -84.77 -26.73 27.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.391 1.256 . . . . 1.0 114.391 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -45.9 65.77 Favored 'General case' 0 C--N 1.403 2.915 0 O-C-N 125.652 1.845 . . . . 1.0 114.157 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.715 ' HA ' HD11 ' A' ' 16' ' ' ILE . 67.1 mtt180 -67.08 -40.4 86.99 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 114.3 -1.318 . . . . 1.0 114.297 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.5 -37.93 86.14 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 126.277 2.236 . . . . 1.0 112.07 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.66 -30.01 70.17 Favored 'General case' 0 C--N 1.385 2.123 0 O-C-N 124.562 1.164 . . . . 1.0 113.393 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.715 HD11 ' HA ' ' A' ' 13' ' ' ARG . 9.3 mt -65.71 -48.85 80.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.513 0 O-C-N 124.191 0.932 . . . . 1.0 111.445 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.408 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -77.44 -2.64 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 O-C-N 124.79 1.306 . . . . 1.0 113.92 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -102.04 -42.82 5.96 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.274 -1.33 . . . . 1.0 113.771 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -22.43 24.86 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.097 1.498 . . . . 1.0 113.725 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -81.92 -9.88 59.45 Favored 'General case' 0 C--O 1.264 1.827 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -176.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -11.37 48.34 Favored 'General case' 0 C--N 1.407 3.081 0 C-N-CA 124.084 0.954 . . . . 1.0 112.65 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -102.98 -26.84 12.94 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 124.173 0.921 . . . . 1.0 113.066 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.39 -170.02 24.44 Favored Glycine 0 C--O 1.26 1.723 0 O-C-N 125.067 1.48 . . . . 1.0 112.311 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.58 132.73 55.79 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-O 121.478 0.656 . . . . 1.0 109.578 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.531 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 37.9 m-85 -139.19 145.91 39.9 Favored 'General case' 0 CA--C 1.473 -2.01 0 CA-C-N 115.021 -0.991 . . . . 1.0 110.388 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -76.87 157.63 81.47 Favored Pre-proline 0 C--O 1.257 1.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.035 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.28 -42.24 61.39 Favored 'Trans proline' 1 C--N 1.425 4.568 0 C-N-CA 122.726 2.284 . . . . 1.0 115.629 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -66.44 -29.32 69.44 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.233 0.958 . . . . 1.0 113.403 173.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.531 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 13.2 mt-10 -75.13 -36.9 61.57 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 125.059 1.474 . . . . 1.0 113.036 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.84 -65.79 0.63 Allowed 'General case' 0 C--N 1.372 1.566 0 O-C-N 126.882 2.614 . . . . 1.0 108.751 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -48.61 -21.56 0.61 Allowed 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.998 1.319 . . . . 1.0 114.154 175.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 32' ' ' ARG . 1.0 OUTLIER -70.24 -43.47 70.51 Favored 'General case' 0 C--N 1.418 3.565 0 C-N-CA 124.618 1.167 . . . . 1.0 111.776 173.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.1 tt -84.06 85.51 2.06 Favored 'Isoleucine or valine' 0 C--O 1.282 2.768 0 O-C-N 124.911 1.382 . . . . 1.0 107.562 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.906 0 CA-C-O 121.179 0.514 . . . . 1.0 111.004 -174.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -68.48 -60.64 2.29 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -76.02 -28.46 57.75 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 125.741 1.901 . . . . 1.0 113.109 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.09 -38.48 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 125.482 1.739 . . . . 1.0 111.411 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -23.2 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 126.836 2.585 . . . . 1.0 112.668 177.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -74.29 -36.1 63.74 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 126.126 2.141 . . . . 1.0 112.427 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -76.94 -27.85 55.01 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 126.498 2.374 . . . . 1.0 111.309 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -65.85 -30.64 71.28 Favored 'General case' 0 C--N 1.397 2.661 0 O-C-N 124.535 1.147 . . . . 1.0 111.834 174.771 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.18 -33.82 76.62 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 115.569 1.692 . . . . 1.0 115.569 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -62.62 -37.54 86.7 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 126.768 2.542 . . . . 1.0 113.623 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.549 ' H ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -78.34 -42.69 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.195 1.398 . . . . 1.0 113.044 179.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 48' ' ' ASP . 29.3 mm -71.7 -32.63 45.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 124.75 1.281 . . . . 1.0 113.62 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -30.45 71.14 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 127.538 3.023 . . . . 1.0 113.083 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.23 -32.78 64.94 Favored 'General case' 0 C--N 1.384 2.098 0 O-C-N 124.938 1.399 . . . . 1.0 113.195 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.7 -40.17 13.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 125.026 1.454 . . . . 1.0 111.515 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -23.64 64.2 Favored 'General case' 0 C--N 1.39 2.344 0 O-C-N 125.307 1.629 . . . . 1.0 114.05 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -90.31 -34.68 15.63 Favored 'General case' 0 CA--C 1.584 2.279 0 O-C-N 125.73 1.894 . . . . 1.0 112.334 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -72.22 -19.65 61.68 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 128.043 3.339 . . . . 1.0 110.202 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.13 6.1 46.33 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 113.986 -1.461 . . . . 1.0 112.861 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.81 30.88 78.44 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 115.152 -0.931 . . . . 1.0 114.711 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.0 mtm -115.01 151.46 34.15 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 123.321 0.648 . . . . 1.0 109.816 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.19 124.17 72.62 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.369 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.92 126.22 46.03 Favored 'General case' 0 C--O 1.262 1.726 0 O-C-N 125.132 1.52 . . . . 1.0 109.851 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.17 131.21 54.88 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 124.414 1.072 . . . . 1.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.06 132.94 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 124.494 1.121 . . . . 1.0 108.445 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 20.7 mttt -81.85 135.36 48.82 Favored Pre-proline 0 C--N 1.374 1.673 0 O-C-N 125.355 1.659 . . . . 1.0 110.425 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 23.9 Cg_exo -67.93 123.19 10.39 Favored 'Trans proline' 0 C--N 1.405 3.552 0 N-CA-C 117.619 2.123 . . . . 1.0 117.619 -178.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.17 141.19 56.09 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 111.231 -2.713 . . . . 1.0 109.4 176.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -139.71 156.49 46.77 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.765 -173.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.84 121.84 32.35 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 125.593 1.808 . . . . 1.0 107.16 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -93.73 2.5 56.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.8 -47.6 5.24 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 p -97.78 -20.64 17.42 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.916 1.385 . . . . 1.0 113.595 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.51 52.77 Favored Glycine 0 C--N 1.374 2.64 0 O-C-N 124.75 1.281 . . . . 1.0 113.438 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.64 131.39 34.44 Favored 'General case' 0 C--N 1.398 2.704 0 O-C-N 125.211 1.183 . . . . 1.0 112.468 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.71 127.8 64.94 Favored 'Isoleucine or valine' 0 C--O 1.262 1.748 0 O-C-N 125.475 1.734 . . . . 1.0 110.82 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.09 150.91 20.93 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 124.843 1.339 . . . . 1.0 111.817 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -66.0 148.86 51.16 Favored 'General case' 0 C--O 1.269 2.086 0 O-C-N 124.881 1.363 . . . . 1.0 109.926 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 114.98 5.84 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 124.137 0.898 . . . . 1.0 111.049 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -122.82 175.33 6.6 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 114.058 -1.428 . . . . 1.0 110.77 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.513 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -100.72 -83.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.469 0 CA-C-N 114.38 -1.282 . . . . 1.0 110.554 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -58.35 140.3 53.77 Favored 'General case' 0 C--O 1.276 2.482 0 O-C-N 125.86 1.975 . . . . 1.0 107.165 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.02 147.95 33.93 Favored Pre-proline 0 CA--C 1.563 1.449 0 O-C-N 124.919 1.387 . . . . 1.0 113.107 -175.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -80.46 155.59 21.65 Favored 'Trans proline' 0 C--N 1.394 2.945 0 C-N-CA 121.732 1.621 . . . . 1.0 115.056 169.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 m -97.39 -20.78 17.58 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 125.369 1.668 . . . . 1.0 111.465 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -149.9 144.65 26.05 Favored 'General case' 0 C--O 1.263 1.799 0 CA-C-N 115.164 -0.926 . . . . 1.0 110.445 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.26 1.628 0 O-C-N 124.816 1.322 . . . . 1.0 111.389 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.758 -0.639 . . . . 1.0 109.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -102.17 94.01 5.52 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 125.966 2.041 . . . . 1.0 110.851 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 147.1 31.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.357 0 CA-C-N 114.756 -1.111 . . . . 1.0 109.813 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.28 131.32 36.15 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 124.337 1.023 . . . . 1.0 110.345 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -80.19 140.3 53.03 Favored Pre-proline 0 C--O 1.256 1.414 0 O-C-N 124.83 1.331 . . . . 1.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -62.72 157.51 47.08 Favored 'Trans proline' 0 C--N 1.411 3.866 0 C-N-CA 122.087 1.858 . . . . 1.0 115.409 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -109.75 135.75 50.18 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 113.388 -1.733 . . . . 1.0 110.573 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -117.55 127.49 54.04 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 124.962 1.414 . . . . 1.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -141.15 156.92 45.88 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 124.291 0.994 . . . . 1.0 110.492 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.48 136.3 53.9 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 123.8 0.687 . . . . 1.0 109.993 179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.56 133.23 55.76 Favored 'General case' 0 C--O 1.263 1.789 0 CA-C-N 114.912 -1.04 . . . . 1.0 109.654 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -102.87 121.79 43.22 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 125.621 1.826 . . . . 1.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 4.988 0 C-N-CA 126.893 2.077 . . . . 1.0 112.012 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 114.639 1.348 . . . . 1.0 114.639 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.27 74.18 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.465 1.283 . . . . 1.0 114.465 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -83.72 -36.94 23.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 125.034 1.459 . . . . 1.0 114.137 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.09 81.62 Favored 'General case' 0 C--N 1.404 2.95 0 O-C-N 126.775 2.547 . . . . 1.0 113.522 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -69.66 -37.52 76.75 Favored 'General case' 0 C--N 1.387 2.226 0 O-C-N 125.268 1.605 . . . . 1.0 113.254 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.45 -35.93 80.19 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.08 2.112 . . . . 1.0 112.055 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -64.56 -32.51 74.19 Favored 'General case' 0 C--N 1.389 2.299 0 O-C-N 124.419 1.075 . . . . 1.0 113.076 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 6.5 mt -67.64 -46.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 O-C-N 124.453 1.095 . . . . 1.0 110.986 176.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -11.62 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 O-C-N 125.09 1.494 . . . . 1.0 113.681 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -98.97 -40.07 8.24 Favored 'General case' 0 C--O 1.244 0.763 0 O-C-N 125.343 1.652 . . . . 1.0 114.12 -172.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -21.3 23.88 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.497 1.748 . . . . 1.0 113.899 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.93 -9.38 58.14 Favored 'General case' 0 C--O 1.267 2.015 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 -175.088 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -11.27 52.61 Favored 'General case' 0 C--N 1.405 2.994 0 C-N-CA 124.028 0.931 . . . . 1.0 112.927 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -103.87 -26.22 12.76 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 124.64 1.213 . . . . 1.0 113.158 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.85 179.85 35.13 Favored Glycine 0 CA--C 1.486 -1.77 0 O-C-N 125.066 1.479 . . . . 1.0 112.039 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.516 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 5.0 p-10 -112.1 131.24 55.56 Favored 'General case' 0 C--O 1.268 2.066 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.073 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.83 146.75 47.83 Favored 'General case' 0 CA--C 1.471 -2.09 0 O-C-N 124.772 1.295 . . . . 1.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.13 161.63 67.38 Favored Pre-proline 0 C--O 1.251 1.172 0 O-C-N 124.491 1.119 . . . . 1.0 110.055 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HB3' HG22 ' A' ' 45' ' ' ILE . 83.8 Cg_exo -52.64 -46.52 32.84 Favored 'Trans proline' 1 C--N 1.43 4.868 0 C-N-CA 122.801 2.334 . . . . 1.0 115.209 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.29 -32.42 71.18 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 124.54 1.15 . . . . 1.0 113.03 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.89 -35.99 69.91 Favored 'General case' 0 C--N 1.405 2.986 0 O-C-N 125.249 1.593 . . . . 1.0 112.783 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -71.16 -3.23 18.96 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 125.431 1.707 . . . . 1.0 112.044 173.138 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.05 -30.47 11.16 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-N 113.559 -1.655 . . . . 1.0 110.12 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -64.66 -47.6 77.88 Favored 'General case' 0 C--N 1.396 2.618 0 O-C-N 124.227 0.955 . . . . 1.0 111.332 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.808 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -84.08 83.08 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.967 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 174.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.808 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.252 1.226 0 N-CA-C 112.525 0.565 . . . . 1.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' HG21 ' A' ' 45' ' ' ILE . 62.2 mttt -73.94 -52.62 12.29 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -74.74 -29.33 61.12 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 125.476 1.735 . . . . 1.0 113.832 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 44' ' ' VAL . 2.7 t -67.6 -40.43 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 125.688 1.867 . . . . 1.0 111.305 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -73.33 -24.9 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 O-C-N 126.584 2.427 . . . . 1.0 112.939 178.046 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.62 -36.77 65.5 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.346 2.279 . . . . 1.0 112.131 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.02 -27.72 61.09 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 126.361 2.288 . . . . 1.0 111.349 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -33.29 75.61 Favored 'General case' 0 C--N 1.395 2.586 0 O-C-N 124.726 1.266 . . . . 1.0 111.863 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -34.33 78.17 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 116.185 1.92 . . . . 1.0 116.185 174.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.15 -36.03 82.7 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 126.952 2.658 . . . . 1.0 112.248 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.51 -45.26 46.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 124.594 1.157 . . . . 1.0 111.689 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.468 ' HA ' HD13 ' A' ' 55' ' ' ILE . 9.1 mt -69.57 -36.61 71.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 126.013 2.071 . . . . 1.0 112.335 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 p -60.73 -31.62 70.92 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 126.299 2.25 . . . . 1.0 114.355 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -71.34 -34.58 70.65 Favored 'General case' 0 C--N 1.39 2.342 0 O-C-N 125.084 1.49 . . . . 1.0 113.226 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -85.16 -39.08 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 O-C-N 125.29 1.619 . . . . 1.0 111.542 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -60.09 -24.74 64.87 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 125.509 1.755 . . . . 1.0 114.708 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -90.23 -35.4 15.35 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 125.762 1.914 . . . . 1.0 112.338 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -72.04 -21.75 61.49 Favored 'General case' 0 N--CA 1.524 3.241 0 O-C-N 128.486 3.616 . . . . 1.0 109.958 170.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.83 12.68 34.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-N 114.089 -1.414 . . . . 1.0 113.318 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.51 -60.06 1.58 Allowed Glycine 0 C--N 1.368 2.346 0 CA-C-O 117.85 -1.528 . . . . 1.0 116.591 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' ALA . 20.5 mtm -37.97 115.54 0.44 Allowed 'General case' 0 C--N 1.403 2.896 0 O-C-N 128.714 3.244 . . . . 1.0 110.948 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.81 139.67 18.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 114.846 -1.07 . . . . 1.0 112.801 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.717 HD23 ' HG ' ' A' ' 102' ' ' LEU . 3.0 mm? -94.8 123.9 38.52 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 126.016 2.072 . . . . 1.0 113.156 176.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.91 131.13 55.57 Favored 'General case' 0 C--O 1.261 1.701 0 O-C-N 125.097 1.498 . . . . 1.0 110.783 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.28 131.42 65.03 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 O-C-N 124.641 1.213 . . . . 1.0 108.819 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -83.63 134.76 44.24 Favored Pre-proline 0 C--N 1.376 1.72 0 O-C-N 125.6 1.812 . . . . 1.0 109.911 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -67.55 118.88 5.92 Favored 'Trans proline' 0 C--N 1.409 3.745 0 N-CA-C 117.377 2.029 . . . . 1.0 117.377 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 141.75 58.27 Favored 'General case' 0 C--O 1.271 2.237 0 CA-C-N 110.697 -2.956 . . . . 1.0 109.114 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.607 ' HG3' HG12 ' A' ' 76' ' ' VAL . 2.6 tt0 -136.35 149.33 48.31 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 123.996 0.81 . . . . 1.0 111.905 -172.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -90.73 120.23 31.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 106.335 -1.728 . . . . 1.0 106.335 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -91.02 0.48 57.53 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.436 1.272 . . . . 1.0 114.436 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -99.8 -49.1 4.47 Favored 'General case' 0 C--N 1.362 1.148 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.94 -21.41 18.05 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 124.508 1.13 . . . . 1.0 113.032 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.53 -18.15 57.38 Favored Glycine 0 C--N 1.38 2.974 0 O-C-N 124.782 1.301 . . . . 1.0 113.562 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -53.0 131.71 36.57 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 125.199 1.176 . . . . 1.0 113.148 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.607 HG12 ' HG3' ' A' ' 69' ' ' GLN . 6.7 t -105.67 130.1 57.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.092 0 O-C-N 125.744 1.902 . . . . 1.0 109.461 -176.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.78 147.6 24.22 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.08 1.487 . . . . 1.0 111.381 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.37 153.38 43.06 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 124.781 1.301 . . . . 1.0 110.589 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.89 116.91 9.91 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.367 1.042 . . . . 1.0 111.306 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -123.31 174.51 7.27 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.665 -1.607 . . . . 1.0 110.482 -175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.471 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -103.63 46.3 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.675 0 CA-C-N 114.458 -1.246 . . . . 1.0 111.906 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.64 170.89 7.82 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 122.24 -0.288 . . . . 1.0 111.185 -175.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -119.03 126.4 27.1 Favored Pre-proline 0 CA--C 1.579 2.063 0 O-C-N 124.499 1.124 . . . . 1.0 108.427 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -77.97 146.18 22.93 Favored 'Trans proline' 0 C--N 1.389 2.684 0 C-N-CA 121.429 1.42 . . . . 1.0 115.597 171.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -97.04 -26.49 14.98 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.514 1.759 . . . . 1.0 111.044 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -146.83 141.37 26.57 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 123.702 0.801 . . . . 1.0 110.17 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.398 2.679 0 O-C-N 124.603 1.19 . . . . 1.0 109.795 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 117.906 -1.045 . . . . 1.0 113.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 94.23 9.55 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.889 2.618 . . . . 1.0 112.393 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 138.68 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 114.553 -1.203 . . . . 1.0 108.484 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.36 131.68 42.64 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 125.883 1.99 . . . . 1.0 108.85 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.17 138.51 72.12 Favored Pre-proline 0 C--O 1.254 1.336 0 O-C-N 124.259 0.974 . . . . 1.0 112.238 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.23 157.84 55.46 Favored 'Trans proline' 1 C--N 1.418 4.22 0 C-N-CA 121.646 1.564 . . . . 1.0 114.43 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -112.74 138.24 49.84 Favored 'General case' 0 C--O 1.26 1.62 0 CA-C-N 113.787 -1.551 . . . . 1.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.65 130.2 56.77 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 125.236 1.585 . . . . 1.0 110.122 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 23.7 mttt -138.46 153.23 48.83 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 124.485 1.116 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.717 ' HG ' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -117.61 129.29 55.66 Favored 'General case' 0 C--O 1.264 1.858 0 O-C-N 124.48 1.113 . . . . 1.0 109.539 178.329 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -124.33 148.38 47.52 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.054 -0.975 . . . . 1.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 61' ' ' MET . 49.6 mtt180 -104.77 120.02 40.39 Favored 'General case' 0 C--O 1.259 1.6 0 O-C-N 125.3 1.625 . . . . 1.0 110.67 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 2 N--CA 1.56 5.036 0 C-N-CA 126.935 2.094 . . . . 1.0 112.046 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 C--O 1.265 1.906 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.73 41.12 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 125.163 1.539 . . . . 1.0 113.406 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -82.74 -40.79 20.05 Favored 'General case' 0 C--N 1.373 1.624 0 O-C-N 124.974 1.421 . . . . 1.0 112.803 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' O ' HG12 ' A' ' 16' ' ' ILE . 84.8 mtt180 -61.13 -39.26 89.34 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 127.388 2.93 . . . . 1.0 112.169 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -70.64 -36.36 73.39 Favored 'General case' 0 C--N 1.388 2.281 0 O-C-N 125.711 1.882 . . . . 1.0 112.94 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.8 mt-10 -65.56 -33.02 74.94 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 126.114 2.134 . . . . 1.0 112.879 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -70.14 -25.46 63.48 Favored 'General case' 0 C--N 1.38 1.92 0 O-C-N 124.771 1.294 . . . . 1.0 113.328 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 36.5 mm -68.64 -46.75 79.39 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 124.62 1.2 . . . . 1.0 112.042 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -79.93 3.31 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.158 0 O-C-N 126.061 2.101 . . . . 1.0 113.284 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -107.95 -40.18 5.32 Favored 'General case' 0 C--N 1.392 2.433 0 C-N-CA 124.093 0.957 . . . . 1.0 112.618 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -22.5 20.7 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 124.881 1.363 . . . . 1.0 112.888 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -81.85 -10.5 59.3 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.686 1.195 . . . . 1.0 114.002 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.9 -10.17 51.47 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.988 1.315 . . . . 1.0 112.667 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.57 -26.15 12.46 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 125.222 1.576 . . . . 1.0 113.716 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.53 -173.7 31.54 Favored Glycine 0 C--O 1.264 1.978 0 O-C-N 124.723 1.264 . . . . 1.0 111.936 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.481 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 2.4 p-10 -116.01 130.71 56.94 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 124.494 0.761 . . . . 1.0 110.586 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 42.7 m-85 -137.25 144.39 42.73 Favored 'General case' 0 C--O 1.271 2.203 0 O-C-N 124.634 1.209 . . . . 1.0 110.043 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 m -72.82 159.91 84.17 Favored Pre-proline 0 C--O 1.256 1.42 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.462 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.792 ' HB3' HG23 ' A' ' 45' ' ' ILE . 86.8 Cg_exo -53.12 -45.28 42.21 Favored 'Trans proline' 1 C--N 1.431 4.918 0 C-N-CA 122.765 2.31 . . . . 1.0 114.947 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -66.56 -27.18 67.54 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 124.609 1.193 . . . . 1.0 112.896 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 10.1 mt-10 -76.14 -39.71 54.41 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 125.732 1.895 . . . . 1.0 112.914 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -63.85 1.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 127.835 3.21 . . . . 1.0 111.125 177.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.47 -20.57 1.9 Allowed 'General case' 0 C--N 1.377 1.798 0 N-CA-C 114.749 1.388 . . . . 1.0 114.749 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -41.79 73.32 Favored 'General case' 0 C--N 1.398 2.703 0 O-C-N 125.009 1.443 . . . . 1.0 112.882 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.07 84.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.038 0 O-C-N 125.599 1.812 . . . . 1.0 109.063 173.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.487 0 O-C-N 120.286 -1.509 . . . . 1.0 112.826 -171.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.187 0 N-CA-C 112.856 0.687 . . . . 1.0 112.856 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -64.11 -52.09 60.82 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-O 117.648 -1.167 . . . . 1.0 113.352 -174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -74.56 -29.82 61.5 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 125.268 1.605 . . . . 1.0 113.935 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.411 ' H ' HG22 ' A' ' 44' ' ' VAL . 2.1 t -67.64 -42.12 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 125.979 2.049 . . . . 1.0 111.338 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.04 -22.67 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.628 0 O-C-N 125.506 1.754 . . . . 1.0 113.257 178.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.42 -35.33 58.6 Favored 'General case' 0 C--N 1.372 1.559 0 O-C-N 124.899 1.374 . . . . 1.0 112.433 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.13 -27.4 57.05 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 126.836 2.585 . . . . 1.0 111.806 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.29 -34.58 78.32 Favored 'General case' 0 C--N 1.394 2.536 0 O-C-N 125.231 1.582 . . . . 1.0 112.244 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.79 -33.04 74.93 Favored 'General case' 0 C--N 1.386 2.172 0 O-C-N 125.599 1.812 . . . . 1.0 113.189 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.72 -36.08 81.83 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.267 2.23 . . . . 1.0 112.58 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.29 -44.42 42.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.803 0 C-N-CA 124.978 1.311 . . . . 1.0 111.254 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.76 -32.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 O-C-N 125.682 1.864 . . . . 1.0 111.466 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -64.2 -31.85 73.21 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.93 1.394 . . . . 1.0 113.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.12 -34.32 68.49 Favored 'General case' 0 C--N 1.385 2.115 0 O-C-N 125.333 1.646 . . . . 1.0 113.678 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -85.2 -40.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 O-C-N 125.518 1.762 . . . . 1.0 111.983 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.75 -25.38 64.83 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 126.68 2.488 . . . . 1.0 113.774 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -88.29 -35.26 17.34 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.115 2.134 . . . . 1.0 115.199 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -69.5 -19.28 63.73 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 113.851 -1.522 . . . . 1.0 113.23 167.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 6.9 44.05 Favored 'General case' 0 C--O 1.276 2.48 0 CA-C-N 113.313 -1.767 . . . . 1.0 113.012 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.18 34.46 89.17 Favored Glycine 0 C--N 1.391 3.631 0 CA-C-O 117.864 -1.52 . . . . 1.0 114.474 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 mtm -120.76 147.69 44.98 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 125.044 1.085 . . . . 1.0 108.964 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 114.527 -1.215 . . . . 1.0 110.835 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -98.86 127.98 44.93 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 124.887 1.367 . . . . 1.0 110.213 176.382 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 126.9 53.51 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.541 1.151 . . . . 1.0 111.061 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.35 132.19 60.57 Favored 'Isoleucine or valine' 0 C--O 1.269 2.118 0 O-C-N 124.943 1.402 . . . . 1.0 108.962 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.58 135.19 46.61 Favored Pre-proline 0 C--O 1.27 2.146 0 O-C-N 125.872 1.982 . . . . 1.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.97 126.91 14.44 Favored 'Trans proline' 1 C--N 1.418 4.229 0 C-N-CA 122.189 1.926 . . . . 1.0 115.157 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.14 58.26 Favored 'General case' 0 C--O 1.259 1.581 0 CA-C-N 110.938 -2.846 . . . . 1.0 109.425 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -136.29 148.12 47.81 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.186 0.929 . . . . 1.0 110.882 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 64.5 m -86.99 121.46 29.49 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 124.888 1.367 . . . . 1.0 108.586 172.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -88.71 -5.4 58.13 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.692 1.367 . . . . 1.0 114.692 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -95.67 -50.23 5.03 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 124.175 0.922 . . . . 1.0 113.411 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -95.64 -19.44 19.74 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 125.882 1.989 . . . . 1.0 113.155 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.33 -18.67 57.05 Favored Glycine 0 C--N 1.379 2.937 0 O-C-N 125.651 1.844 . . . . 1.0 114.123 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.02 132.84 43.23 Favored 'General case' 0 C--N 1.406 3.032 0 O-C-N 126.553 1.972 . . . . 1.0 111.512 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.9 p -104.1 131.86 51.93 Favored 'Isoleucine or valine' 0 C--O 1.26 1.639 0 CA-C-N 113.586 -1.643 . . . . 1.0 110.029 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.77 149.85 23.75 Favored 'General case' 0 C--O 1.259 1.563 0 O-C-N 125.439 1.712 . . . . 1.0 111.298 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 146.43 54.67 Favored 'General case' 0 C--O 1.262 1.714 0 CA-C-N 114.562 -1.199 . . . . 1.0 110.584 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.06 117.7 9.48 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.675 1.235 . . . . 1.0 110.796 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.5 178.19 5.53 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 113.358 -1.747 . . . . 1.0 110.088 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.498 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -106.58 -80.82 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.738 0 CA-C-N 113.817 -1.538 . . . . 1.0 109.678 -179.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -63.18 143.45 57.78 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 124.577 1.173 . . . . 1.0 108.782 171.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.1 147.2 33.78 Favored Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 124.859 1.349 . . . . 1.0 111.363 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -79.31 159.62 26.18 Favored 'Trans proline' 1 C--N 1.414 4.01 0 C-N-CA 121.893 1.729 . . . . 1.0 114.439 169.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 -21.84 22.5 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.815 1.322 . . . . 1.0 111.976 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -151.73 153.44 34.34 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 124.702 1.252 . . . . 1.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.256 1.441 0 O-C-N 125.376 1.672 . . . . 1.0 111.246 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.273 2.341 0 N-CA-C 114.013 1.116 . . . . 1.0 114.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 88.12 4.51 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 122.158 0.98 . . . . 1.0 111.698 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.29 144.01 30.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.572 0 CA-C-N 113.493 -1.685 . . . . 1.0 109.214 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.08 132.72 36.37 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 125.648 1.842 . . . . 1.0 109.786 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.22 139.54 48.85 Favored Pre-proline 0 C--O 1.262 1.726 0 O-C-N 124.13 0.894 . . . . 1.0 111.625 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.43 160.24 43.72 Favored 'Trans proline' 1 C--N 1.421 4.36 0 C-N-CA 121.651 1.567 . . . . 1.0 114.305 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -113.94 139.33 49.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 125.533 1.771 . . . . 1.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -115.86 129.55 56.46 Favored 'General case' 0 C--O 1.261 1.703 0 O-C-N 125.429 1.706 . . . . 1.0 110.147 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 15.6 mttt -139.76 151.81 46.1 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 124.785 1.303 . . . . 1.0 110.788 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.46 130.96 54.53 Favored 'General case' 0 C--O 1.272 2.241 0 O-C-N 125.007 1.442 . . . . 1.0 110.132 178.693 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.5 136.74 54.68 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 125.091 1.495 . . . . 1.0 110.439 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -97.83 119.81 37.1 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 125.561 1.788 . . . . 1.0 111.267 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 2 N--CA 1.559 4.985 0 C-N-CA 126.909 2.083 . . . . 1.0 111.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.506 2.356 0 N-CA-C 113.566 0.95 . . . . 1.0 113.566 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.21 56.9 Favored 'General case' 0 C--N 1.391 2.394 0 C-N-CA 126.569 1.948 . . . . 1.0 113.543 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -74.52 -42.37 59.01 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 126.115 1.766 . . . . 1.0 112.104 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -52.96 -39.53 63.01 Favored 'General case' 0 N--CA 1.538 3.952 0 O-C-N 124.903 1.377 . . . . 1.0 112.421 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' HD11 ' A' ' 16' ' ' ILE . 13.1 mtp180 -70.44 -35.97 73.67 Favored 'General case' 0 N--CA 1.526 3.345 0 C-N-CA 125.832 1.653 . . . . 1.0 112.283 172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -65.25 -33.69 76.58 Favored 'General case' 0 N--CA 1.523 3.188 0 O-C-N 125.41 1.694 . . . . 1.0 112.624 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -65.65 -37.62 87.04 Favored 'General case' 0 C--N 1.406 3.06 0 C-N-CA 127.27 2.228 . . . . 1.0 112.651 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 3.8 mt -62.88 -49.31 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.753 0 C-N-CA 126.033 1.733 . . . . 1.0 108.705 174.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -68.58 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.791 0 C-N-CA 125.863 1.665 . . . . 1.0 113.874 177.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.37 -41.74 8.86 Favored 'General case' 0 C--N 1.396 2.621 0 C-N-CA 125.27 1.428 . . . . 1.0 112.834 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.85 -30.0 21.78 Favored 'General case' 0 C--N 1.401 2.841 0 N-CA-C 114.935 1.457 . . . . 1.0 114.935 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 4.3 mm? -80.52 -9.7 59.76 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -14.99 47.02 Favored 'General case' 0 C--N 1.413 3.366 0 C-N-CA 127.051 2.14 . . . . 1.0 112.407 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -99.82 -28.88 12.91 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.42 1.488 . . . . 1.0 112.294 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.95 175.96 35.85 Favored Glycine 0 C--N 1.385 3.297 0 O-C-N 124.923 1.389 . . . . 1.0 113.681 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.576 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.6 p-10 -107.31 126.77 52.87 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 124.668 1.187 . . . . 1.0 110.047 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.425 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 54.6 m-85 -135.65 140.16 44.31 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.933 1.693 . . . . 1.0 110.069 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -77.23 161.74 71.85 Favored Pre-proline 0 N--CA 1.507 2.384 0 CA-C-O 115.783 -2.056 . . . . 1.0 112.288 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -50.32 -49.28 16.87 Favored 'Trans proline' 2 C--N 1.467 6.785 0 C-N-CA 123.657 2.904 . . . . 1.0 114.831 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.0 p -59.27 -34.02 71.75 Favored 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 125.159 1.383 . . . . 1.0 113.628 173.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 5.5 mt-10 -70.98 -35.29 72.07 Favored 'General case' 0 N--CA 1.53 3.574 0 C-N-CA 125.567 1.547 . . . . 1.0 111.265 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -9.58 47.66 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 125.575 1.797 . . . . 1.0 114.533 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.0 -33.9 10.63 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 127.23 2.212 . . . . 1.0 111.162 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.41 3.227 0 C-N-CA 126.6 1.96 . . . . 1.0 111.235 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.18 77.43 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.242 0 C-N-CA 127.253 2.221 . . . . 1.0 107.356 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.254 0 C-N-CA 129.104 2.962 . . . . 1.0 111.963 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 113.926 1.084 . . . . 1.0 113.926 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -71.94 -61.76 1.67 Allowed 'General case' 0 C--N 1.399 2.753 0 C-N-CA 125.87 1.668 . . . . 1.0 114.779 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -73.8 -33.17 64.09 Favored 'General case' 0 N--CA 1.52 3.068 0 C-N-CA 126.152 1.781 . . . . 1.0 114.442 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.5 -42.25 94.66 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.282 0 C-N-CA 125.85 1.66 . . . . 1.0 110.441 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.259 0.1 OUTLIER -69.75 -39.55 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.373 0 O-C-N 125.547 1.78 . . . . 1.0 112.39 177.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 49' ' ' LEU . 18.6 mt -62.17 -39.64 93.33 Favored 'General case' 0 N--CA 1.517 2.918 0 C-N-CA 127.367 2.267 . . . . 1.0 113.059 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.12 -30.01 63.31 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 125.282 1.433 . . . . 1.0 111.582 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.42 -34.2 77.42 Favored 'General case' 0 N--CA 1.521 3.109 0 C-N-CA 125.617 1.567 . . . . 1.0 111.176 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 46' ' ' LEU . 7.7 mt -67.18 -34.6 77.87 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.972 1.709 . . . . 1.0 113.735 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.65 -36.85 85.18 Favored 'General case' 0 N--CA 1.523 3.194 0 C-N-CA 126.646 1.979 . . . . 1.0 112.434 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -44.5 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.79 0 C-N-CA 126.985 2.114 . . . . 1.0 111.949 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mt -65.78 -42.14 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.985 0 C-N-CA 125.583 1.553 . . . . 1.0 110.917 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -32.68 66.29 Favored 'General case' 0 N--CA 1.532 3.641 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -74.41 -36.06 63.46 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 125.319 1.448 . . . . 1.0 113.548 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -80.21 -39.0 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.486 0 O-C-N 124.721 1.263 . . . . 1.0 109.487 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.4 71.27 Favored 'General case' 0 C--N 1.413 3.354 0 N-CA-C 116.318 1.97 . . . . 1.0 116.318 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -34.06 22.57 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 124.859 1.264 . . . . 1.0 109.952 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -68.77 -29.87 68.35 Favored 'General case' 0 N--CA 1.535 3.786 0 O-C-N 126.228 2.205 . . . . 1.0 112.474 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.75 5.07 33.97 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 125.931 2.019 . . . . 1.0 112.45 175.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.17 35.54 91.68 Favored Glycine 0 C--N 1.397 3.966 0 C-N-CA 125.5 1.524 . . . . 1.0 116.301 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.611 ' HE1' ' HG2' ' A' ' 104' ' ' ARG . 31.3 mtt -120.23 143.22 48.4 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 126.696 1.998 . . . . 1.0 109.691 -176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.02 124.51 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 124.656 1.222 . . . . 1.0 111.672 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.83 122.98 44.35 Favored 'General case' 0 C--N 1.376 1.736 0 O-C-N 125.623 1.827 . . . . 1.0 109.528 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.78 125.09 51.57 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 125.631 1.832 . . . . 1.0 109.748 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -105.05 127.36 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.684 -2.053 . . . . 1.0 107.3 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.99 130.62 72.22 Favored Pre-proline 0 CA--C 1.583 2.227 0 O-C-N 125.393 1.683 . . . . 1.0 110.772 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.78 123.53 11.8 Favored 'Trans proline' 1 C--N 1.453 6.066 0 C-N-CA 123.001 2.467 . . . . 1.0 116.472 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.39 139.18 58.55 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 112.936 -1.938 . . . . 1.0 109.844 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.29 147.22 43.38 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 113.271 0.841 . . . . 1.0 113.271 -172.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -91.01 117.69 29.78 Favored 'General case' 0 C--N 1.384 2.072 0 O-C-N 125.323 1.639 . . . . 1.0 107.154 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -88.19 -10.87 48.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.119 1.768 . . . . 1.0 114.931 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.27 -45.61 7.76 Favored 'General case' 0 C--N 1.38 1.895 0 C-N-CA 125.471 1.508 . . . . 1.0 113.454 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.46 -27.29 15.47 Favored 'General case' 0 C--N 1.386 2.19 0 O-C-N 125.081 1.488 . . . . 1.0 113.38 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.77 -20.98 43.97 Favored Glycine 0 C--N 1.378 2.886 0 O-C-N 125.146 1.529 . . . . 1.0 114.036 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.01 125.48 10.58 Favored 'General case' 0 C--N 1.402 2.85 0 C-N-CA 125.864 1.665 . . . . 1.0 113.886 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -100.61 120.66 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 125.707 1.88 . . . . 1.0 109.088 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -103.9 147.6 27.14 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 126.957 2.66 . . . . 1.0 110.538 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.79 138.81 58.17 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 124.127 0.971 . . . . 1.0 113.174 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.18 109.8 0.59 Allowed 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.422 1.489 . . . . 1.0 112.74 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -118.74 170.49 8.94 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.708 -2.042 . . . . 1.0 113.157 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.72 -88.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 CA-C-N 112.864 -1.971 . . . . 1.0 106.491 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -57.04 144.91 32.43 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-O 117.573 -1.203 . . . . 1.0 110.717 173.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.59 131.54 22.84 Favored Pre-proline 0 N--CA 1.516 2.832 0 CA-C-O 117.521 -1.228 . . . . 1.0 110.561 -174.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -70.61 139.28 36.95 Favored 'Trans proline' 1 C--N 1.462 6.507 0 C-N-CA 123.416 2.744 . . . . 1.0 112.447 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 m -66.71 -32.45 73.76 Favored 'General case' 0 N--CA 1.522 3.164 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -151.14 121.24 7.19 Favored 'General case' 0 C--N 1.386 2.156 0 C-N-CA 126.01 1.724 . . . . 1.0 110.612 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 CA--C 1.619 3.611 0 CA-C-O 115.075 -2.393 . . . . 1.0 110.905 172.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 CA--C 1.575 1.932 0 N-CA-C 112.167 0.432 . . . . 1.0 112.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -107.71 90.42 3.29 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.013 1.725 . . . . 1.0 107.763 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.78 143.77 39.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.557 0 CA-C-N 111.63 -2.532 . . . . 1.0 106.457 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -84.96 129.08 34.86 Favored 'General case' 0 C--N 1.382 2.013 0 C-N-CA 124.935 1.294 . . . . 1.0 110.052 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 133.54 64.28 Favored Pre-proline 0 CA--C 1.574 1.892 0 O-C-N 124.567 1.167 . . . . 1.0 112.353 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.29 153.15 76.15 Favored 'Trans proline' 1 C--N 1.446 5.695 0 C-N-CA 124.025 3.15 . . . . 1.0 114.621 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -113.64 132.58 55.71 Favored 'General case' 0 C--N 1.385 2.113 0 C-N-CA 124.666 1.186 . . . . 1.0 109.531 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . 0.44 ' O ' HD12 ' A' ' 20' ' ' LEU . 97.8 m-85 -112.69 124.21 52.06 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 125.79 1.932 . . . . 1.0 109.236 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.576 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 4.8 mttt -134.71 148.67 50.35 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.222 1.409 . . . . 1.0 110.697 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.43 128.92 54.47 Favored 'General case' 0 C--O 1.263 1.793 0 C-N-CA 124.947 1.299 . . . . 1.0 109.888 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.71 129.6 55.36 Favored 'General case' 0 C--O 1.261 1.666 0 O-C-N 125.369 1.668 . . . . 1.0 110.667 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.611 ' HG2' ' HE1' ' A' ' 61' ' ' MET . 42.0 mtt180 -95.1 116.87 29.28 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 125.685 1.865 . . . . 1.0 112.057 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 2 N--CA 1.559 4.989 0 C-N-CA 126.987 2.115 . . . . 1.0 111.864 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 112.944 0.72 . . . . 1.0 112.944 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.46 -27.17 37.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 124.727 1.267 . . . . 1.0 113.189 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -82.77 -34.65 27.02 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 124.517 1.136 . . . . 1.0 112.778 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -59.31 -36.98 76.62 Favored 'General case' 0 C--N 1.382 2.015 0 O-C-N 126.509 2.381 . . . . 1.0 112.183 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HA ' HD12 ' A' ' 16' ' ' ILE . 56.3 mtt180 -70.95 -35.36 72.15 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 125.11 1.506 . . . . 1.0 112.124 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.98 -32.6 74.17 Favored 'General case' 0 C--N 1.37 1.476 0 O-C-N 125.816 1.948 . . . . 1.0 112.448 175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.42 -29.27 66.96 Favored 'General case' 0 C--N 1.379 1.854 0 O-C-N 124.232 0.958 . . . . 1.0 112.982 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 5.5 mt -67.38 -45.9 84.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 O-C-N 124.443 1.089 . . . . 1.0 111.173 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.59 2.71 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 O-C-N 124.317 1.011 . . . . 1.0 113.285 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -109.15 -40.04 5.08 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 115.485 -0.78 . . . . 1.0 112.757 -175.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -20.01 24.37 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 124.823 1.327 . . . . 1.0 112.999 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.99 -9.31 58.18 Favored 'General case' 0 C--O 1.263 1.787 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -8.87 55.03 Favored 'General case' 0 C--N 1.39 2.338 0 C-N-CA 124.299 1.04 . . . . 1.0 112.358 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -104.33 -26.03 12.63 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.84 1.338 . . . . 1.0 113.361 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.15 -174.38 33.87 Favored Glycine 0 C--O 1.259 1.697 0 O-C-N 124.508 1.13 . . . . 1.0 112.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.72 132.22 54.38 Favored 'General case' 0 C--O 1.26 1.64 0 C-N-CA 122.601 0.36 . . . . 1.0 110.294 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 39.0 m-85 -140.05 142.59 36.16 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-N 115.304 -0.862 . . . . 1.0 109.9 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 160.33 77.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 CA-C-O 117.627 -1.177 . . . . 1.0 110.612 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -53.13 -43.23 58.82 Favored 'Trans proline' 0 C--N 1.414 3.993 0 C-N-CA 122.792 2.328 . . . . 1.0 115.348 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -63.57 -29.85 71.05 Favored 'General case' 0 C--N 1.39 2.328 0 O-C-N 124.613 1.196 . . . . 1.0 111.909 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 3.4 mt-10 -76.64 -37.21 56.68 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.469 1.73 . . . . 1.0 111.9 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -3.49 12.08 Favored 'General case' 0 C--N 1.382 2.008 0 O-C-N 126.194 2.184 . . . . 1.0 111.76 171.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.96 -28.31 12.82 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 124.9 1.375 . . . . 1.0 111.71 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -64.68 -45.95 84.48 Favored 'General case' 0 C--N 1.384 2.076 0 O-C-N 124.622 1.201 . . . . 1.0 112.001 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -79.86 77.34 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.92 0 C-N-CA 124.328 1.051 . . . . 1.0 109.779 174.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.355 0 O-C-N 122.048 -0.407 . . . . 1.0 110.79 -175.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.489 ' O ' HG12 ' A' ' 45' ' ' ILE . 15.3 p . . . . . 0 C--O 1.247 0.945 0 N-CA-C 112.332 0.493 . . . . 1.0 112.332 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.46 -42.0 96.2 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.4 1.063 . . . . 1.0 113.324 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -72.92 -28.11 62.26 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.341 1.651 . . . . 1.0 113.219 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 41' ' ' SER . 1.9 t -68.03 -42.73 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 125.018 1.449 . . . . 1.0 111.601 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 41' ' ' SER . 18.0 mm -74.06 -39.08 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 125.36 1.662 . . . . 1.0 112.284 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 81' ' ' ILE . 21.3 mt -64.2 -34.88 79.1 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 125.538 1.773 . . . . 1.0 112.44 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.73 -26.89 57.89 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 125.766 1.916 . . . . 1.0 111.312 173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.396 2.591 0 O-C-N 124.64 1.213 . . . . 1.0 111.729 173.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.94 -32.68 74.1 Favored 'General case' 0 C--N 1.377 1.794 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.17 -36.19 82.79 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 126.72 2.512 . . . . 1.0 112.635 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 HG21 ' H ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -74.93 -44.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 124.86 1.264 . . . . 1.0 112.095 179.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.8 mt -72.64 -32.81 42.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 125.266 1.604 . . . . 1.0 111.713 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -64.31 -31.78 73.12 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.121 1.513 . . . . 1.0 112.795 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.02 -33.98 70.88 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 124.892 1.37 . . . . 1.0 112.935 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 2.6 mt -84.3 -39.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 125.024 1.453 . . . . 1.0 111.534 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -59.17 -26.6 64.91 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 125.878 1.986 . . . . 1.0 113.574 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -88.65 -35.7 16.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 125.908 2.005 . . . . 1.0 115.102 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.06 -20.11 63.24 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 114.128 -1.396 . . . . 1.0 111.792 167.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -105.14 11.26 33.38 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-N 114.012 -1.449 . . . . 1.0 112.903 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.35 -60.51 2.35 Favored Glycine 0 C--N 1.375 2.699 0 CA-C-O 118.661 -1.077 . . . . 1.0 115.294 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ALA . 20.5 mtm -39.54 115.76 0.54 Allowed 'General case' 0 C--N 1.391 2.383 0 O-C-N 127.526 2.545 . . . . 1.0 111.252 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.487 ' H ' HG21 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -102.56 134.92 42.06 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 CA-C-N 114.529 -1.214 . . . . 1.0 111.174 -171.161 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.619 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -93.76 126.93 39.21 Favored 'General case' 0 C--O 1.259 1.571 0 O-C-N 124.978 1.424 . . . . 1.0 110.395 177.262 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.76 128.67 47.99 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 124.237 0.96 . . . . 1.0 111.03 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.39 127.69 68.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 135.63 44.74 Favored Pre-proline 0 C--N 1.366 1.291 0 O-C-N 125.342 1.651 . . . . 1.0 110.591 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -68.43 124.89 12.13 Favored 'Trans proline' 0 C--N 1.404 3.452 0 C-N-CA 122.26 1.973 . . . . 1.0 116.073 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB1' ' HG3' ' A' ' 98' ' ' PRO . . . -69.72 141.09 53.54 Favored 'General case' 0 C--N 1.363 1.158 0 CA-C-N 111.116 -2.765 . . . . 1.0 110.004 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.77 158.12 44.63 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.318 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 93.1 m -89.33 125.34 35.08 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 125.21 1.569 . . . . 1.0 108.857 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -91.22 -4.33 56.12 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 113.886 1.069 . . . . 1.0 113.886 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -95.54 -49.15 5.53 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 113.367 0.877 . . . . 1.0 113.367 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.2 p -95.5 -20.75 18.78 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 125.384 1.677 . . . . 1.0 112.817 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.97 -18.33 57.71 Favored Glycine 0 C--N 1.374 2.69 0 O-C-N 125.026 1.454 . . . . 1.0 113.609 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.54 131.42 34.01 Favored 'General case' 0 C--N 1.395 2.584 0 O-C-N 125.63 1.429 . . . . 1.0 111.835 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.2 127.42 62.97 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 O-C-N 125.434 1.709 . . . . 1.0 110.147 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -96.21 149.68 21.38 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.589 1.806 . . . . 1.0 111.22 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.46 148.15 52.28 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 124.379 1.049 . . . . 1.0 110.55 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.25 110.38 2.2 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 124.499 1.124 . . . . 1.0 110.979 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 177.51 5.38 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 113.813 -1.54 . . . . 1.0 110.006 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.521 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -105.64 -82.37 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 CA-C-N 113.934 -1.484 . . . . 1.0 109.755 -179.089 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -64.66 146.82 54.15 Favored 'General case' 0 C--O 1.27 2.177 0 O-C-N 124.592 1.183 . . . . 1.0 108.978 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mt -112.41 137.3 21.54 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.352 1.033 . . . . 1.0 110.504 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -73.27 152.43 50.05 Favored 'Trans proline' 0 C--N 1.411 3.822 0 C-N-CA 121.855 1.703 . . . . 1.0 114.245 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.5 m -84.2 -20.28 32.6 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 114.291 -1.322 . . . . 1.0 112.335 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -143.73 144.25 31.76 Favored 'General case' 0 C--O 1.261 1.679 0 O-C-N 124.286 0.991 . . . . 1.0 110.788 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.255 1.351 0 O-C-N 124.332 1.02 . . . . 1.0 110.26 176.732 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--O 1.259 1.603 0 N-CA-C 113.803 1.038 . . . . 1.0 113.803 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.76 88.04 6.52 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-O 121.98 0.895 . . . . 1.0 112.294 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.2 138.52 45.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 CA-C-N 114.134 -1.394 . . . . 1.0 109.427 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.82 132.96 37.71 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 125.582 1.801 . . . . 1.0 109.224 174.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.65 142.31 57.17 Favored Pre-proline 0 C--N 1.365 1.254 0 O-C-N 123.654 0.596 . . . . 1.0 112.041 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.417 ' HG3' ' HB1' ' A' ' 68' ' ' ALA . 38.7 Cg_exo -71.28 163.28 39.66 Favored 'Trans proline' 0 C--N 1.411 3.831 0 C-N-CA 121.895 1.73 . . . . 1.0 115.206 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -110.51 133.86 52.9 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 114.032 -1.44 . . . . 1.0 109.937 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -116.59 126.48 53.33 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 124.946 1.404 . . . . 1.0 110.18 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -140.24 156.77 46.35 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 124.595 1.184 . . . . 1.0 111.122 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.619 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -122.15 131.17 53.82 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 124.226 0.953 . . . . 1.0 110.001 177.817 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.83 141.09 51.59 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 124.456 1.097 . . . . 1.0 110.38 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -94.41 117.65 30.43 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.149 1.531 . . . . 1.0 111.486 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 5.015 0 C-N-CA 126.937 2.095 . . . . 1.0 111.95 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.006 -0.997 . . . . 1.0 113.674 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.595 1.184 . . . . 1.0 111.347 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -113.48 136.07 53.2 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 125.333 1.646 . . . . 1.0 111.254 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.84 128.14 48.34 Favored 'General case' 0 C--N 1.374 1.65 0 O-C-N 125.152 1.532 . . . . 1.0 111.471 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 139.04 47.43 Favored 'General case' 0 C--O 1.257 1.471 0 O-C-N 125.561 1.788 . . . . 1.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -99.07 131.15 45.33 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 125.005 1.441 . . . . 1.0 111.702 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.82 127.89 53.39 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 125.548 1.78 . . . . 1.0 111.676 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -112.58 177.47 18.42 Favored Glycine 0 C--N 1.361 1.952 0 O-C-N 125.666 1.854 . . . . 1.0 112.894 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.3 p -81.59 -31.52 32.49 Favored 'General case' 0 N--CA 1.509 2.484 0 C-N-CA 124.945 1.298 . . . . 1.0 113.819 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.91 -36.91 59.27 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 126.036 1.734 . . . . 1.0 114.395 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -79.44 -43.85 22.5 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.559 1.543 . . . . 1.0 112.443 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HD3' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -51.54 -38.82 56.03 Favored 'General case' 0 N--CA 1.532 3.632 0 O-C-N 124.914 1.384 . . . . 1.0 113.334 177.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' ILE . 3.9 mtp180 -71.4 -38.23 71.48 Favored 'General case' 0 C--N 1.41 3.239 0 C-N-CA 125.623 1.569 . . . . 1.0 111.628 174.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.0 -32.55 73.03 Favored 'General case' 0 N--CA 1.517 2.92 0 O-C-N 125.342 1.651 . . . . 1.0 111.768 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -72.05 -35.57 69.37 Favored 'General case' 0 C--N 1.402 2.849 0 C-N-CA 127.307 2.243 . . . . 1.0 113.592 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.4 mt -59.55 -48.92 85.58 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.237 0 C-N-CA 126.255 1.822 . . . . 1.0 109.076 175.572 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -4.2 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.099 0 C-N-CA 126.797 2.039 . . . . 1.0 114.09 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -96.81 -42.26 8.05 Favored 'General case' 0 C--N 1.402 2.859 0 C-N-CA 125.603 1.561 . . . . 1.0 111.859 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.35 -35.62 23.1 Favored 'General case' 0 C--N 1.404 2.96 0 C-N-CA 125.223 1.409 . . . . 1.0 113.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 HD11 HG23 ' A' ' 16' ' ' ILE . 23.6 mt -70.94 -11.13 60.79 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.89 1.811 . . . . 1.0 115.89 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.47 -22.94 23.4 Favored 'General case' 0 C--N 1.421 3.688 0 C-N-CA 127.82 2.448 . . . . 1.0 113.054 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.05 -28.43 15.11 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.618 1.567 . . . . 1.0 112.34 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.61 -169.39 17.84 Favored Glycine 0 C--N 1.385 3.304 0 O-C-N 124.91 1.382 . . . . 1.0 113.4 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.566 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.8 p-10 -122.57 127.82 49.94 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.079 1.351 . . . . 1.0 109.075 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.506 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 44.1 m-85 -136.71 140.98 43.05 Favored 'General case' 0 C--O 1.258 1.548 0 C-N-CA 125.909 1.684 . . . . 1.0 109.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -75.1 158.81 83.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 CA-C-O 115.502 -2.189 . . . . 1.0 111.594 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.01 -47.74 22.46 Favored 'Trans proline' 1 C--N 1.465 6.664 0 C-N-CA 123.242 2.628 . . . . 1.0 115.043 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 m -60.95 -33.88 73.87 Favored 'General case' 0 C--N 1.396 2.609 0 C-N-CA 125.612 1.565 . . . . 1.0 113.997 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -71.81 -34.61 69.5 Favored 'General case' 0 N--CA 1.527 3.388 0 C-N-CA 126.221 1.808 . . . . 1.0 111.55 176.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -3.77 14.97 Favored 'General case' 0 N--CA 1.524 3.244 0 O-C-N 125.219 1.574 . . . . 1.0 114.681 171.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.02 -29.33 10.97 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 127.048 2.139 . . . . 1.0 112.469 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -42.84 80.86 Favored 'General case' 0 C--N 1.408 3.112 0 C-N-CA 125.007 1.323 . . . . 1.0 112.561 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.08 76.92 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.608 3.205 0 C-N-CA 126.478 1.911 . . . . 1.0 108.054 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.552 HD22 ' HD3' ' A' ' 12' ' ' ARG . 0.1 OUTLIER 153.66 -160.41 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.578 0 C-N-CA 129.942 3.297 . . . . 1.0 110.662 -175.172 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.73 120.93 43.63 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 127.083 2.153 . . . . 1.0 108.068 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mtm -81.66 -31.59 32.24 Favored 'General case' 0 N--CA 1.515 2.806 0 N-CA-C 115.034 1.494 . . . . 1.0 115.034 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.97 -72.79 0.05 Allowed 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 127.89 2.476 . . . . 1.0 113.217 178.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.67 -122.18 2.0 Favored Glycine 0 C--N 1.383 3.194 0 O-C-N 125.021 1.451 . . . . 1.0 110.64 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -117.91 140.02 50.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 125.475 1.338 . . . . 1.0 111.755 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.3 80.14 0.61 Allowed Glycine 0 C--N 1.371 2.489 0 O-C-N 125.448 1.717 . . . . 1.0 111.722 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 p -125.41 -34.34 2.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 125.81 1.535 . . . . 1.0 113.174 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.412 ' O ' HD21 ' A' ' 46' ' ' LEU . 85.3 mttt -71.7 -54.17 11.15 Favored 'General case' 0 N--CA 1.516 2.858 0 C-N-CA 126.293 1.837 . . . . 1.0 114.65 -177.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -72.34 -33.93 67.67 Favored 'General case' 0 N--CA 1.522 3.169 0 C-N-CA 125.519 1.528 . . . . 1.0 114.103 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.49 -46.28 83.63 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.015 0 O-C-N 125.217 1.573 . . . . 1.0 110.473 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.273 0.1 OUTLIER -70.13 -37.77 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.723 0 O-C-N 125.61 1.819 . . . . 1.0 112.277 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.639 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.93 -35.22 79.49 Favored 'General case' 0 C--N 1.397 2.653 0 C-N-CA 127.196 2.199 . . . . 1.0 114.639 177.245 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.25 -29.47 57.49 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.018 1.327 . . . . 1.0 110.788 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -65.43 -34.49 78.41 Favored 'General case' 0 C--N 1.408 3.132 0 C-N-CA 126.174 1.79 . . . . 1.0 111.454 171.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.639 HD13 ' HA ' ' A' ' 46' ' ' LEU . 5.5 mt -66.22 -35.89 81.6 Favored 'General case' 0 C--N 1.408 3.12 0 C-N-CA 126.2 1.8 . . . . 1.0 113.24 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.86 -36.65 84.63 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 126.441 1.896 . . . . 1.0 112.062 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.608 HG11 HH21 ' A' ' 13' ' ' ARG . 1.4 t -76.41 -41.0 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.081 0 C-N-CA 126.615 1.966 . . . . 1.0 109.652 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 mt -67.61 -44.67 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 125.825 1.65 . . . . 1.0 111.481 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.1 m -56.51 -30.93 63.6 Favored 'General case' 0 N--CA 1.537 3.913 0 N-CA-C 115.873 1.805 . . . . 1.0 115.873 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -77.54 -36.84 51.92 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 125.765 1.626 . . . . 1.0 113.985 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.24 -36.31 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 0 C-N-CA 125.332 1.453 . . . . 1.0 113.373 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.454 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.45 -32.05 72.01 Favored 'General case' 0 C--N 1.408 3.118 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -82.82 -27.82 30.61 Favored 'General case' 0 N--CA 1.526 3.367 0 O-C-N 124.832 1.333 . . . . 1.0 111.225 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -75.03 -29.69 60.86 Favored 'General case' 0 N--CA 1.522 3.143 0 O-C-N 125.941 2.025 . . . . 1.0 113.033 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 12.4 pt-20 -87.45 6.53 33.53 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 125.37 1.669 . . . . 1.0 111.938 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.34 31.15 76.33 Favored Glycine 0 C--N 1.387 3.412 0 CA-C-O 118.03 -1.428 . . . . 1.0 115.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.51 144.03 44.02 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.703 2.001 . . . . 1.0 110.122 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.28 126.98 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 124.457 1.098 . . . . 1.0 111.608 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.584 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -98.36 123.88 42.72 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 125.461 1.725 . . . . 1.0 109.754 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.74 122.26 45.71 Favored 'General case' 0 C--O 1.26 1.657 0 O-C-N 125.42 1.7 . . . . 1.0 109.615 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -111.47 126.49 68.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 O-C-N 125.961 2.038 . . . . 1.0 106.763 -179.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -82.02 130.68 59.36 Favored Pre-proline 0 CA--C 1.578 2.023 0 O-C-N 125.429 1.706 . . . . 1.0 109.966 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.81 125.86 16.92 Favored 'Trans proline' 1 C--N 1.453 6.027 0 C-N-CA 122.958 2.439 . . . . 1.0 115.742 -175.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 140.68 58.21 Favored 'General case' 0 N--CA 1.51 2.575 0 CA-C-N 113.387 -1.733 . . . . 1.0 109.593 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -139.1 152.6 47.63 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.574 0.953 . . . . 1.0 113.574 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.4 t -86.82 116.22 24.76 Favored 'General case' 0 C--N 1.385 2.11 0 O-C-N 125.417 1.698 . . . . 1.0 106.867 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -83.26 -11.65 57.56 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 127.227 2.211 . . . . 1.0 115.092 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -90.83 -45.19 8.95 Favored 'General case' 0 C--N 1.381 1.945 0 C-N-CA 125.515 1.526 . . . . 1.0 113.499 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.48 ' HG ' ' HB2' ' A' ' 75' ' ' PHE . 10.8 p -97.75 -20.16 17.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 125.476 1.735 . . . . 1.0 114.48 179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.25 -18.86 56.57 Favored Glycine 0 C--N 1.388 3.454 0 O-C-N 124.27 0.981 . . . . 1.0 113.471 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.48 ' HB2' ' HG ' ' A' ' 73' ' ' CYS . 2.8 t80 -52.3 131.91 33.49 Favored 'General case' 0 C--N 1.409 3.194 0 O-C-N 125.562 1.39 . . . . 1.0 112.016 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.98 124.94 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 126.021 2.076 . . . . 1.0 110.006 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -99.24 146.93 25.68 Favored 'General case' 0 C--N 1.37 1.468 0 O-C-N 126.032 2.082 . . . . 1.0 111.256 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -64.92 140.74 58.9 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.287 1.035 . . . . 1.0 112.595 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.83 119.91 5.15 Favored 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 125.61 1.564 . . . . 1.0 112.034 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -127.07 163.71 23.16 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 125.024 1.453 . . . . 1.0 112.143 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -99.96 -87.18 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.578 0 CA-C-N 112.131 -2.304 . . . . 1.0 106.63 178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -59.23 139.51 56.88 Favored 'General case' 0 N--CA 1.522 3.158 0 O-C-N 124.3 1.0 . . . . 1.0 110.398 175.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -95.97 132.21 27.48 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-O 116.621 -1.656 . . . . 1.0 114.885 -172.061 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.51 144.02 31.62 Favored 'Trans proline' 1 C--N 1.455 6.15 0 C-N-CA 122.917 2.411 . . . . 1.0 112.18 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 m -80.36 -20.62 43.71 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 124.162 0.914 . . . . 1.0 113.107 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -145.51 148.64 33.44 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 127.346 2.259 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.04 127.11 88.62 Favored Pre-proline 0 CA--C 1.607 3.15 0 CA-C-O 116.843 -1.551 . . . . 1.0 112.912 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.13 -21.96 54.97 Favored 'Trans proline' 1 C--N 1.463 6.567 0 C-N-CA 123.295 2.663 . . . . 1.0 116.738 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -93.25 -55.85 3.17 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 125.636 1.835 . . . . 1.0 113.286 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.0 m -98.29 -130.56 0.2 Allowed 'General case' 0 C--N 1.397 2.651 0 O-C-N 124.447 1.092 . . . . 1.0 111.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -149.25 -14.57 0.3 Allowed 'General case' 0 C--N 1.4 2.781 0 C-N-CA 126.095 1.758 . . . . 1.0 113.096 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 m -64.46 135.21 55.85 Favored 'General case' 0 C--N 1.39 2.326 0 C-N-CA 126.861 2.064 . . . . 1.0 116.196 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.51 8.23 44.6 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 127.454 2.971 . . . . 1.0 111.936 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -98.09 86.35 3.68 Favored 'General case' 0 C--N 1.393 2.468 0 C-N-CA 125.992 1.717 . . . . 1.0 109.843 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.82 134.27 64.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 111.479 -2.601 . . . . 1.0 106.609 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.59 132.1 33.99 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 125.449 1.718 . . . . 1.0 108.629 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.13 132.28 82.55 Favored Pre-proline 0 C--N 1.382 2.011 0 CA-C-O 117.304 -1.331 . . . . 1.0 113.931 -176.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.81 155.73 47.44 Favored 'Trans proline' 1 C--N 1.46 6.418 0 C-N-CA 123.223 2.615 . . . . 1.0 114.375 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.466 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 87.8 mtt180 -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 124.584 1.178 . . . . 1.0 109.138 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.402 ' CE1' HG22 ' A' ' 65' ' ' ILE . 97.0 m-85 -108.69 125.11 51.53 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 125.287 1.617 . . . . 1.0 110.175 -178.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.566 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 19.9 mttt -138.27 149.3 45.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 125.183 1.552 . . . . 1.0 111.252 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.584 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -116.74 126.33 52.97 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 124.869 1.355 . . . . 1.0 109.355 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.36 131.13 55.64 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.127 1.517 . . . . 1.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -98.15 116.25 29.99 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 126.026 2.079 . . . . 1.0 111.953 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.1 mttt . . . . . 3 N--CA 1.588 6.446 0 C-N-CA 128.414 2.686 . . . . 1.0 112.4 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 112.466 0.543 . . . . 1.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -104.35 -33.49 8.62 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 124.307 1.004 . . . . 1.0 112.807 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -115.0 128.25 56.17 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 125.435 1.709 . . . . 1.0 110.461 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -120.86 140.17 52.16 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 124.646 1.216 . . . . 1.0 110.65 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -39.1 5.48 Favored 'General case' 0 CA--C 1.475 -1.914 0 CA-C-N 114.69 -1.141 . . . . 1.0 111.879 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 62.27 116.45 0.02 OUTLIER 'General case' 1 C--N 1.43 4.066 0 C-N-CA 125.431 1.493 . . . . 1.0 112.1 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.477 ' HB3' HG22 ' A' ' 11' ' ' THR . 26.1 m-70 -115.34 135.03 54.56 Favored 'General case' 0 C--O 1.263 1.788 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.793 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.14 -57.64 0.03 OUTLIER Glycine 0 CA--C 1.478 -2.245 0 O-C-N 125.348 1.655 . . . . 1.0 114.707 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m -80.4 -28.89 37.75 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.642 1.349 . . . . 1.0 114.642 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.61 -33.02 47.74 Favored 'General case' 0 C--N 1.376 1.75 0 O-C-N 124.884 1.365 . . . . 1.0 114.27 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 HG22 ' HB3' ' A' ' 7' ' ' HIS . 2.9 p -84.26 -26.32 28.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.86 -43.68 95.37 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 126.682 2.489 . . . . 1.0 114.417 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HA ' HD11 ' A' ' 16' ' ' ILE . 72.7 mtt180 -69.45 -38.75 77.92 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-N 113.931 -1.486 . . . . 1.0 114.063 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.09 -36.57 83.54 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 127.105 2.753 . . . . 1.0 112.113 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -67.6 -31.38 71.39 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 124.56 1.162 . . . . 1.0 113.428 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 7.0 mt -65.23 -48.43 83.56 Favored 'Isoleucine or valine' 0 C--N 1.378 1.816 0 O-C-N 124.493 1.12 . . . . 1.0 111.574 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -76.54 -0.93 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.039 0 O-C-N 125.269 1.606 . . . . 1.0 114.08 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -98.25 -45.8 6.06 Favored 'General case' 0 C--N 1.39 2.326 0 CA-C-N 113.872 -1.513 . . . . 1.0 114.065 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -28.13 22.95 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 125.022 1.451 . . . . 1.0 113.627 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.1 -11.01 60.39 Favored 'General case' 0 C--N 1.399 2.729 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 -178.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -13.59 41.89 Favored 'General case' 0 C--N 1.424 3.836 0 C-N-CA 124.641 1.176 . . . . 1.0 112.029 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -101.1 -26.35 13.72 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 124.315 1.009 . . . . 1.0 113.366 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.86 -165.45 19.97 Favored Glycine 0 CA--C 1.482 -1.995 0 O-C-N 125.038 1.461 . . . . 1.0 112.244 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.87 134.64 55.03 Favored 'General case' 0 C--O 1.267 2.012 0 CA-C-O 121.449 0.642 . . . . 1.0 109.481 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.556 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 24.4 m-85 -142.3 144.27 33.17 Favored 'General case' 0 CA--C 1.469 -2.147 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.47 155.31 85.69 Favored Pre-proline 0 C--O 1.262 1.728 0 O-C-N 124.42 1.075 . . . . 1.0 110.246 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.52 ' HB3' ' HB ' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -53.48 -39.36 82.46 Favored 'Trans proline' 1 C--N 1.428 4.743 0 C-N-CA 122.934 2.423 . . . . 1.0 115.328 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.1 m -68.42 -28.47 67.1 Favored 'General case' 0 C--N 1.392 2.442 0 O-C-N 124.188 0.93 . . . . 1.0 113.147 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.556 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 19.7 mt-10 -74.89 -36.49 62.25 Favored 'General case' 0 C--N 1.396 2.614 0 O-C-N 125.229 1.581 . . . . 1.0 113.158 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.736 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.36 -64.01 0.95 Allowed 'General case' 0 C--N 1.368 1.404 0 O-C-N 127.721 3.138 . . . . 1.0 108.804 178.501 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.566 ' HA ' HD11 ' A' ' 34' ' ' LEU . . . -50.54 -20.29 1.13 Allowed 'General case' 0 C--N 1.389 2.317 0 C-N-CA 125.174 1.389 . . . . 1.0 114.03 174.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -73.04 -44.61 60.56 Favored 'General case' 0 C--N 1.427 3.954 0 C-N-CA 124.939 1.296 . . . . 1.0 111.785 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 30' ' ' LEU . 1.1 tt -83.33 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.238 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.566 HD11 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -170.79 175.62 4.46 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-O 121.138 0.494 . . . . 1.0 110.874 -174.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.69 -4.45 33.65 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-N 113.745 -1.571 . . . . 1.0 111.857 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -110.74 145.11 38.65 Favored 'General case' 0 C--N 1.371 1.528 0 O-C-N 123.866 0.729 . . . . 1.0 111.518 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -109.03 137.4 47.0 Favored 'General case' 0 C--O 1.26 1.638 0 O-C-N 124.729 1.268 . . . . 1.0 109.844 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.66 160.75 29.48 Favored Glycine 0 C--O 1.26 1.76 0 O-C-N 125.044 1.465 . . . . 1.0 112.421 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -103.15 -41.76 5.98 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 118.077 -0.963 . . . . 1.0 112.348 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.91 93.36 0.59 Allowed Glycine 0 C--N 1.37 2.441 0 O-C-N 125.209 1.568 . . . . 1.0 110.602 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.53 ' O ' HG12 ' A' ' 45' ' ' ILE . 12.2 p -113.91 -16.02 12.27 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 95.9 mttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.752 1.221 . . . . 1.0 114.139 -177.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -71.22 -30.26 66.14 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 126.313 2.258 . . . . 1.0 112.804 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' H ' HG21 ' A' ' 44' ' ' VAL . 2.4 t -68.53 -45.99 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 113.704 -1.589 . . . . 1.0 110.866 179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.53 HG12 ' O ' ' A' ' 41' ' ' SER . 17.2 mm -74.05 -32.56 33.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 O-C-N 126.06 2.1 . . . . 1.0 112.366 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -65.95 -39.77 90.75 Favored 'General case' 0 CA--C 1.563 1.479 0 O-C-N 125.781 1.926 . . . . 1.0 112.49 178.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 14.7 mt-10 -76.95 -27.43 54.8 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 126.513 2.383 . . . . 1.0 111.732 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.471 ' O ' HD11 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -64.56 -31.34 72.52 Favored 'General case' 0 C--N 1.401 2.808 0 O-C-N 124.908 1.38 . . . . 1.0 111.672 174.314 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -33.29 75.4 Favored 'General case' 0 C--N 1.385 2.145 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 95.6 mttt -63.06 -39.44 94.73 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 126.655 2.472 . . . . 1.0 113.423 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.483 ' H ' HG23 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -79.6 -38.56 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.627 1.571 . . . . 1.0 112.972 178.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 48' ' ' ASP . 0.7 OUTLIER -67.7 -38.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 O-C-N 125.116 1.51 . . . . 1.0 112.763 177.087 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -60.69 -29.81 69.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.865 2.603 . . . . 1.0 114.157 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -73.61 -34.34 65.0 Favored 'General case' 0 C--N 1.39 2.358 0 O-C-N 124.572 1.17 . . . . 1.0 113.502 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt -85.31 -41.03 15.31 Favored 'Isoleucine or valine' 0 C--N 1.362 1.121 0 O-C-N 125.076 1.485 . . . . 1.0 111.242 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.91 63.59 Favored 'General case' 0 C--N 1.391 2.408 0 O-C-N 125.859 1.975 . . . . 1.0 114.455 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.27 -33.88 19.11 Favored 'General case' 0 C--N 1.399 2.729 0 O-C-N 126.31 2.256 . . . . 1.0 113.474 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.15 -19.08 60.68 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 128.207 3.442 . . . . 1.0 110.164 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.96 4.88 46.6 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 113.764 -1.562 . . . . 1.0 112.805 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.28 29.2 74.35 Favored Glycine 0 C--N 1.392 3.645 0 CA-C-N 115.014 -0.994 . . . . 1.0 114.758 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.9 mtm -113.51 149.94 33.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.595 0.758 . . . . 1.0 109.54 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.39 125.52 72.66 Favored 'Isoleucine or valine' 0 C--O 1.258 1.547 0 CA-C-N 114.846 -1.07 . . . . 1.0 111.18 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.1 126.62 46.36 Favored 'General case' 0 C--O 1.264 1.856 0 O-C-N 125.404 1.69 . . . . 1.0 110.009 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 128.96 54.87 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 124.735 1.272 . . . . 1.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.93 130.65 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 124.741 1.275 . . . . 1.0 107.891 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.99 134.99 55.56 Favored Pre-proline 0 C--N 1.378 1.811 0 O-C-N 125.513 1.758 . . . . 1.0 110.857 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.47 125.09 12.85 Favored 'Trans proline' 0 C--N 1.41 3.78 0 N-CA-C 117.338 2.015 . . . . 1.0 117.338 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 139.11 58.28 Favored 'General case' 0 C--O 1.272 2.267 0 CA-C-N 110.972 -2.831 . . . . 1.0 109.35 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.613 ' HG3' HG11 ' A' ' 76' ' ' VAL . 2.1 tt0 -136.48 150.08 48.51 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.784 -173.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.482 ' HA ' HG23 ' A' ' 95' ' ' ILE . 59.7 m -86.93 119.13 26.81 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.799 -1.926 . . . . 1.0 105.799 174.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -90.45 -1.85 57.92 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -97.61 -46.82 5.87 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.704 1.002 . . . . 1.0 113.704 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.01 -21.39 18.03 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 125.223 1.577 . . . . 1.0 113.47 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.46 -18.71 57.0 Favored Glycine 0 C--N 1.382 3.105 0 O-C-N 124.651 1.219 . . . . 1.0 113.627 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -53.17 134.25 38.98 Favored 'General case' 0 C--N 1.401 2.828 0 O-C-N 125.558 1.387 . . . . 1.0 112.495 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.613 HG11 ' HG3' ' A' ' 69' ' ' GLN . 15.5 t -104.47 128.5 57.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 125.952 2.032 . . . . 1.0 109.496 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -99.48 148.75 23.92 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.453 1.721 . . . . 1.0 111.492 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -64.12 149.31 47.94 Favored 'General case' 0 C--O 1.277 2.517 0 O-C-N 125.073 1.483 . . . . 1.0 110.071 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 127.73 32.97 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 124.554 1.159 . . . . 1.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.56 167.77 21.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 114.285 -1.325 . . . . 1.0 111.091 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.468 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -103.59 -80.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.732 0 O-C-N 125.614 1.821 . . . . 1.0 109.55 179.421 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -61.31 144.1 54.52 Favored 'General case' 0 C--O 1.277 2.506 0 O-C-N 125.456 1.723 . . . . 1.0 107.141 174.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mt -104.47 135.4 19.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 124.674 1.234 . . . . 1.0 110.138 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -74.37 152.16 43.78 Favored 'Trans proline' 1 C--N 1.417 4.137 0 C-N-CA 122.131 1.887 . . . . 1.0 114.339 172.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.9 m -88.2 -24.73 23.2 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 125.361 1.663 . . . . 1.0 112.209 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -143.61 143.41 31.47 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 124.122 0.889 . . . . 1.0 110.322 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.4 t -72.19 135.42 82.29 Favored Pre-proline 0 C--N 1.388 2.262 0 CA-C-O 118.066 -0.969 . . . . 1.0 111.185 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.36 -18.94 15.53 Favored 'Trans proline' 1 C--N 1.415 4.035 0 N-CA-C 116.37 1.642 . . . . 1.0 116.37 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -92.14 -61.27 1.65 Allowed 'General case' 0 C--N 1.371 1.527 0 O-C-N 124.793 1.308 . . . . 1.0 111.434 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -137.1 -106.26 0.2 Allowed 'General case' 0 N--CA 1.42 -1.933 0 O-C-N 125.527 1.767 . . . . 1.0 111.758 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -139.79 144.27 37.29 Favored 'General case' 0 C--O 1.278 2.601 0 O-C-N 125.274 1.609 . . . . 1.0 111.43 -171.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.505 ' HB2' HG22 ' A' ' 95' ' ' ILE . 74.3 p -174.71 76.77 0.03 OUTLIER 'General case' 0 C--O 1.28 2.66 0 CA-C-N 114.156 -1.384 . . . . 1.0 114.475 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -84.97 -20.37 30.69 Favored 'General case' 0 CA--C 1.593 2.631 0 CA-C-N 115.135 -0.939 . . . . 1.0 111.536 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.98 91.94 3.95 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 126.244 2.215 . . . . 1.0 110.344 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.505 HG22 ' HB2' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.79 150.48 29.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 CA-C-N 114.672 -1.149 . . . . 1.0 110.103 -177.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.08 132.4 34.8 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 125.049 1.468 . . . . 1.0 110.484 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.72 141.13 51.41 Favored Pre-proline 0 C--N 1.37 1.467 0 O-C-N 125.07 1.481 . . . . 1.0 111.324 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.22 157.61 48.85 Favored 'Trans proline' 1 C--N 1.417 4.159 0 C-N-CA 122.203 1.935 . . . . 1.0 115.477 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -107.93 136.79 47.05 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 125.778 1.924 . . . . 1.0 110.171 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.423 ' O ' HD21 ' A' ' 20' ' ' LEU . 98.6 m-85 -116.22 125.71 52.62 Favored 'General case' 0 CA--C 1.485 -1.556 0 O-C-N 125.096 1.498 . . . . 1.0 110.724 -179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -141.32 157.28 45.41 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 124.323 1.014 . . . . 1.0 110.533 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.45 129.89 55.64 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 124.068 0.855 . . . . 1.0 110.006 178.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.79 134.5 55.1 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.726 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -75.63 142.85 42.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 114.633 -1.167 . . . . 1.0 109.977 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 2 N--CA 1.564 5.243 0 C-N-CA 126.501 1.92 . . . . 1.0 110.491 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 1.983 0 N-CA-C 110.354 -0.239 . . . . 1.0 110.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -117.94 133.78 55.59 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -122.57 125.13 45.08 Favored 'General case' 0 C--O 1.269 2.122 0 CA-C-N 115.038 -0.983 . . . . 1.0 110.101 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -125.41 127.95 47.34 Favored 'General case' 0 C--O 1.262 1.739 0 O-C-N 124.988 1.43 . . . . 1.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -119.59 -51.58 2.27 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.821 -1.081 . . . . 1.0 111.679 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -129.6 150.07 51.09 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 124.669 1.231 . . . . 1.0 110.999 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -92.5 -45.65 8.03 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 115.26 -0.882 . . . . 1.0 112.027 178.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.91 -90.97 0.82 Allowed Glycine 0 C--N 1.37 2.427 0 O-C-N 125.746 1.904 . . . . 1.0 113.615 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 m -84.58 -22.82 29.91 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.455 1.28 . . . . 1.0 114.455 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.69 71.04 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 p -84.25 -38.18 20.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 124.85 1.344 . . . . 1.0 113.591 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.58 -40.94 98.24 Favored 'General case' 0 C--N 1.396 2.599 0 O-C-N 126.258 2.224 . . . . 1.0 113.493 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.708 ' HA ' HD13 ' A' ' 16' ' ' ILE . 83.5 mtt180 -70.86 -39.19 73.04 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.778 -1.555 . . . . 1.0 113.236 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -65.94 -34.33 77.87 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 126.787 2.554 . . . . 1.0 112.244 175.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.274 0.984 . . . . 1.0 113.329 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.708 HD13 ' HA ' ' A' ' 13' ' ' ARG . 7.7 mt -65.49 -45.53 92.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 0 O-C-N 124.502 1.126 . . . . 1.0 111.716 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.486 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -78.4 3.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 O-C-N 125.026 1.454 . . . . 1.0 113.792 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.47 -44.05 6.32 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.25 -1.341 . . . . 1.0 113.379 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.64 -31.59 21.02 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 124.839 1.337 . . . . 1.0 112.77 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.69 -11.43 60.84 Favored 'General case' 0 C--N 1.401 2.83 0 O-C-N 124.629 1.206 . . . . 1.0 113.816 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -15.16 31.54 Favored 'General case' 0 C--N 1.417 3.529 0 C-N-CA 124.481 1.112 . . . . 1.0 111.908 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.55 -26.83 13.09 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 124.452 1.095 . . . . 1.0 113.002 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -155.56 -166.61 15.9 Favored Glycine 0 CA--C 1.484 -1.882 0 O-C-N 125.069 1.481 . . . . 1.0 111.772 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.551 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -125.85 132.55 52.18 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 122.916 0.486 . . . . 1.0 109.872 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.28 145.79 41.7 Favored 'General case' 0 CA--C 1.471 -2.06 0 O-C-N 124.186 0.929 . . . . 1.0 110.009 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -78.5 158.2 76.52 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 124.562 1.164 . . . . 1.0 109.983 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -50.11 -46.57 27.7 Favored 'Trans proline' 1 C--N 1.424 4.506 0 C-N-CA 123.462 2.775 . . . . 1.0 115.906 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 m -62.11 -32.7 73.3 Favored 'General case' 0 C--N 1.396 2.607 0 O-C-N 125.235 1.584 . . . . 1.0 113.001 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -35.92 66.39 Favored 'General case' 0 C--N 1.404 2.952 0 O-C-N 125.209 1.568 . . . . 1.0 113.188 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.15 0.76 8.85 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 125.419 1.699 . . . . 1.0 111.958 173.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.38 -26.14 12.56 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-N 113.681 -1.599 . . . . 1.0 110.621 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -65.09 -42.4 94.11 Favored 'General case' 0 C--N 1.391 2.411 0 O-C-N 124.309 1.006 . . . . 1.0 111.646 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -84.73 86.21 2.25 Favored 'Isoleucine or valine' 0 C--O 1.285 2.929 0 C-N-CA 124.406 1.082 . . . . 1.0 109.373 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -174.52 165.32 3.84 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.271 0.558 . . . . 1.0 111.007 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 36.14 4.44 Favored 'General case' 0 C--O 1.264 1.866 0 CA-C-N 113.849 -1.523 . . . . 1.0 111.209 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.6 mtm -107.51 -55.7 2.31 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 118.21 -0.9 . . . . 1.0 112.451 -176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 58.47 98.35 0.02 OUTLIER 'General case' 0 C--N 1.419 3.622 0 O-C-N 124.745 1.278 . . . . 1.0 109.858 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.58 -164.89 10.1 Favored Glycine 0 C--O 1.262 1.862 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.83 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -106.65 -37.43 6.44 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 118.125 -0.941 . . . . 1.0 112.894 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.55 114.05 2.75 Favored Glycine 0 C--N 1.366 2.209 0 O-C-N 125.328 1.642 . . . . 1.0 111.978 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -128.17 -18.89 4.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 124.873 0.984 . . . . 1.0 112.779 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.24 -49.94 51.65 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 113.982 1.104 . . . . 1.0 113.982 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -74.29 -31.63 62.58 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 125.54 1.775 . . . . 1.0 113.12 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.53 -44.92 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 125.274 1.609 . . . . 1.0 111.586 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -24.72 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.196 0 O-C-N 126.481 2.363 . . . . 1.0 112.892 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.2 -35.56 66.37 Favored 'General case' 0 N--CA 1.425 -1.684 0 O-C-N 127.029 2.706 . . . . 1.0 114.684 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -78.13 -27.66 48.31 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 127.139 2.774 . . . . 1.0 111.443 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.75 -30.61 71.3 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 124.758 1.286 . . . . 1.0 112.309 174.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mt -67.04 -33.8 76.31 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.658 -1.155 . . . . 1.0 112.694 174.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.11 -36.39 83.42 Favored 'General case' 0 C--N 1.377 1.766 0 O-C-N 125.589 1.805 . . . . 1.0 113.126 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -42.74 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.884 1.274 . . . . 1.0 112.132 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.635 ' HA ' HD13 ' A' ' 55' ' ' ILE . 2.1 mt -68.72 -37.4 77.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 O-C-N 125.935 2.022 . . . . 1.0 112.456 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.9 -28.48 67.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 126.52 2.388 . . . . 1.0 113.856 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -74.25 -34.31 63.58 Favored 'General case' 0 C--N 1.388 2.255 0 O-C-N 124.319 1.012 . . . . 1.0 113.544 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.93 -39.86 13.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 125.131 1.52 . . . . 1.0 111.816 -178.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.49 66.36 Favored 'General case' 0 C--N 1.391 2.38 0 O-C-N 125.375 1.672 . . . . 1.0 114.468 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.41 -32.16 16.55 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 126.683 2.489 . . . . 1.0 112.594 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -74.67 -18.72 60.49 Favored 'General case' 0 N--CA 1.517 2.909 0 O-C-N 127.902 3.251 . . . . 1.0 110.125 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.27 5.24 42.73 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 113.79 -1.55 . . . . 1.0 112.67 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.74 73.3 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 114.926 -1.034 . . . . 1.0 114.588 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -116.09 148.71 39.97 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 123.348 0.659 . . . . 1.0 109.377 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.94 129.38 68.69 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-N 114.92 -1.036 . . . . 1.0 111.038 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.67 127.45 45.78 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 125.248 1.593 . . . . 1.0 110.169 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.5 129.95 56.44 Favored 'General case' 0 C--O 1.261 1.684 0 O-C-N 124.523 1.139 . . . . 1.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.79 135.25 52.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.114 0 CA-C-N 114.95 -1.023 . . . . 1.0 108.251 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -80.46 135.14 53.71 Favored Pre-proline 0 C--N 1.379 1.867 0 O-C-N 125.25 1.594 . . . . 1.0 110.799 178.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 24.3 Cg_exo -68.24 119.81 6.8 Favored 'Trans proline' 0 C--N 1.411 3.867 0 N-CA-C 117.27 1.988 . . . . 1.0 117.27 -178.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 96' ' ' GLU . . . -70.4 142.16 52.09 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.102 -2.772 . . . . 1.0 109.552 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.71 158.65 43.67 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.568 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.424 ' HA ' HG22 ' A' ' 95' ' ' ILE . 66.2 m -85.03 122.02 28.65 Favored 'General case' 0 C--O 1.271 2.213 0 O-C-N 125.919 2.012 . . . . 1.0 107.36 172.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -86.08 -5.23 59.25 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 114.273 1.212 . . . . 1.0 114.273 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -93.71 -46.35 7.28 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 114.158 1.17 . . . . 1.0 114.158 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.4 p -98.35 -18.11 18.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.194 1.559 . . . . 1.0 113.613 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.44 -16.35 60.86 Favored Glycine 0 C--N 1.381 3.037 0 O-C-N 124.156 0.91 . . . . 1.0 113.739 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.99 134.72 37.81 Favored 'General case' 0 C--N 1.399 2.739 0 O-C-N 125.38 1.282 . . . . 1.0 111.779 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.04 127.42 66.95 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 O-C-N 125.18 1.55 . . . . 1.0 110.821 -175.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -101.22 149.76 23.67 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 125.235 1.585 . . . . 1.0 111.735 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.34 154.98 36.75 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 125.165 1.541 . . . . 1.0 110.063 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.21 129.02 38.5 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.927 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.93 163.56 28.89 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.289 -1.323 . . . . 1.0 111.026 -172.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.485 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.3 OUTLIER -104.27 -81.1 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.612 0 O-C-N 124.719 1.262 . . . . 1.0 108.707 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -62.2 138.94 58.49 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.186 -1.783 . . . . 1.0 106.186 172.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.501 ' O ' HG21 ' A' ' 83' ' ' ILE . 0.0 OUTLIER -94.05 147.21 33.04 Favored Pre-proline 0 CA--C 1.569 1.676 0 O-C-N 124.615 1.197 . . . . 1.0 113.172 -175.798 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -80.31 158.16 22.89 Favored 'Trans proline' 0 C--N 1.397 3.107 0 C-N-CA 121.737 1.625 . . . . 1.0 114.96 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -98.54 -26.55 14.38 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 125.468 1.73 . . . . 1.0 111.613 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -143.7 144.45 31.86 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 124.186 0.929 . . . . 1.0 110.149 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.488 ' HG ' ' HB3' ' A' ' 92' ' ' SER . 7.0 m -81.36 143.52 52.02 Favored Pre-proline 0 C--N 1.38 1.933 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.534 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.41 -18.02 20.68 Favored 'Trans proline' 0 C--N 1.4 3.242 0 C-N-CA 122.176 1.917 . . . . 1.0 116.48 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -70.6 0.69 Allowed 'General case' 0 C--N 1.372 1.573 0 O-C-N 124.44 1.088 . . . . 1.0 111.798 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 p -127.03 -172.35 2.63 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 125.139 1.524 . . . . 1.0 110.1 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -74.67 147.51 41.42 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.909 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.488 ' HB3' ' HG ' ' A' ' 87' ' ' CYS . 0.3 OUTLIER -171.19 77.24 0.07 Allowed 'General case' 0 C--O 1.273 2.321 0 O-C-N 124.691 1.245 . . . . 1.0 113.31 -174.859 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.17 -17.71 36.33 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-N 114.739 -1.118 . . . . 1.0 112.376 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.55 92.72 4.31 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 125.798 1.936 . . . . 1.0 111.218 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.424 HG22 ' HA ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -125.48 149.05 29.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.44 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.624 -177.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.408 ' O ' ' HB1' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -87.49 132.79 33.9 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 124.226 0.954 . . . . 1.0 110.495 178.683 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 140.07 49.89 Favored Pre-proline 0 C--O 1.255 1.385 0 O-C-N 124.717 1.261 . . . . 1.0 111.279 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -64.64 158.12 51.88 Favored 'Trans proline' 1 C--N 1.416 4.097 0 C-N-CA 121.805 1.67 . . . . 1.0 115.528 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -109.52 141.46 41.96 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 113.476 -1.693 . . . . 1.0 109.943 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.51 129.89 56.19 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.444 1.715 . . . . 1.0 111.313 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.551 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -139.67 152.86 47.07 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.482 1.114 . . . . 1.0 110.668 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.12 125.14 53.62 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 124.374 1.046 . . . . 1.0 109.186 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.85 140.16 52.74 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.979 -1.009 . . . . 1.0 110.251 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -84.76 152.37 23.73 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.759 1.287 . . . . 1.0 110.105 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 tttt . . . . . 2 N--CA 1.56 5.056 0 C-N-CA 126.54 1.936 . . . . 1.0 110.864 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.765 -0.636 . . . . 1.0 112.197 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.74 136.16 53.37 Favored 'General case' 0 C--O 1.264 1.82 0 O-C-N 124.634 1.209 . . . . 1.0 110.166 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -112.26 126.15 54.92 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 124.719 1.262 . . . . 1.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -130.49 140.96 50.51 Favored 'General case' 0 C--O 1.265 1.871 0 CA-C-N 114.711 -1.131 . . . . 1.0 110.515 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -110.41 114.51 28.0 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 125.476 1.735 . . . . 1.0 110.197 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.67 142.53 49.85 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.56 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.34 132.42 54.14 Favored 'General case' 0 C--O 1.264 1.861 0 O-C-N 124.439 1.087 . . . . 1.0 111.167 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.13 89.25 0.08 OUTLIER Glycine 0 CA--C 1.473 -2.563 0 O-C-N 125.469 1.731 . . . . 1.0 112.814 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -85.16 -24.8 27.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.095 1.115 . . . . 1.0 113.698 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.53 54.15 Favored 'General case' 0 C--N 1.381 1.971 0 O-C-N 124.554 1.159 . . . . 1.0 113.807 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -80.84 -35.43 32.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.393 1.058 . . . . 1.0 113.251 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -60.92 -38.65 86.51 Favored 'General case' 0 C--N 1.402 2.859 0 O-C-N 126.871 2.607 . . . . 1.0 112.728 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -70.2 -36.12 74.39 Favored 'General case' 0 C--N 1.391 2.387 0 O-C-N 125.289 1.618 . . . . 1.0 113.254 173.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 17' ' ' ILE . 17.3 mt-10 -65.44 -34.82 79.18 Favored 'General case' 0 C--N 1.383 2.05 0 O-C-N 126.642 2.464 . . . . 1.0 112.345 176.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -65.33 -33.77 76.76 Favored 'General case' 0 C--N 1.39 2.359 0 O-C-N 124.622 1.201 . . . . 1.0 113.086 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.562 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 5.1 mt -67.43 -47.27 81.36 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 124.59 1.181 . . . . 1.0 110.772 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.522 HG21 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -11.46 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.08 0 O-C-N 125.074 1.484 . . . . 1.0 113.796 177.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.01 -41.89 8.16 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.206 -1.815 . . . . 1.0 114.038 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -24.65 22.57 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 125.555 1.785 . . . . 1.0 114.151 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.562 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -79.64 -9.93 59.71 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 114.648 1.351 . . . . 1.0 114.648 -177.138 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -11.31 50.83 Favored 'General case' 0 C--N 1.415 3.421 0 C-N-CA 124.35 1.06 . . . . 1.0 112.598 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.02 -25.26 13.51 Favored 'General case' 0 C--N 1.375 1.709 0 O-C-N 124.553 1.158 . . . . 1.0 113.343 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.8 -170.17 27.26 Favored Glycine 0 CA--C 1.481 -2.063 0 O-C-N 125.05 1.469 . . . . 1.0 111.96 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.62 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -118.17 131.7 56.38 Favored 'General case' 0 C--O 1.268 2.057 0 C-N-CA 123.018 0.527 . . . . 1.0 110.009 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 40.2 m-85 -138.74 144.83 39.64 Favored 'General case' 0 CA--C 1.465 -2.324 0 O-C-N 124.434 1.084 . . . . 1.0 109.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 159.28 71.99 Favored Pre-proline 0 N--CA 1.434 -1.249 0 CA-C-O 117.499 -1.238 . . . . 1.0 110.256 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.497 ' HB3' HG21 ' A' ' 45' ' ' ILE . 12.2 Cg_endo -49.84 -46.19 28.76 Favored 'Trans proline' 1 C--N 1.425 4.58 0 C-N-CA 123.422 2.748 . . . . 1.0 115.646 177.662 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -61.0 -32.39 71.97 Favored 'General case' 0 C--N 1.406 3.023 0 O-C-N 125.265 1.603 . . . . 1.0 113.042 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.444 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 1.8 mt-10 -73.61 -36.25 65.45 Favored 'General case' 0 C--N 1.406 3.037 0 O-C-N 125.685 1.865 . . . . 1.0 112.718 175.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -2.87 16.76 Favored 'General case' 0 C--N 1.406 3.043 0 O-C-N 125.661 1.851 . . . . 1.0 111.764 172.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.29 -30.18 11.65 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-N 113.431 -1.713 . . . . 1.0 110.363 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -65.1 -46.52 80.74 Favored 'General case' 0 C--N 1.398 2.69 0 C-N-CA 124.31 1.044 . . . . 1.0 111.568 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.539 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -83.01 80.26 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.239 0 C-N-CA 124.669 1.188 . . . . 1.0 108.1 175.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER 162.33 -172.38 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 118.415 0.552 . . . . 1.0 109.609 -176.171 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -110.24 133.63 53.05 Favored 'General case' 0 C--O 1.273 2.335 0 CA-C-N 114.594 -1.185 . . . . 1.0 108.43 174.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mtm -105.59 127.91 53.31 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.122 0.889 . . . . 1.0 111.687 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -29.59 3.72 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.813 -1.085 . . . . 1.0 112.163 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.69 -170.74 21.86 Favored Glycine 0 C--N 1.369 2.394 0 O-C-N 125.334 1.646 . . . . 1.0 113.109 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -107.24 -30.02 8.98 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 125.164 1.155 . . . . 1.0 113.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.26 122.91 7.41 Favored Glycine 0 C--N 1.372 2.566 0 O-C-N 124.999 1.437 . . . . 1.0 112.592 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.76 -19.72 4.44 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.273 1.219 . . . . 1.0 112.6 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 74.5 mttt -70.02 -48.93 56.06 Favored 'General case' 0 C--N 1.377 1.772 0 N-CA-C 114.319 1.229 . . . . 1.0 114.319 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.93 -33.13 61.93 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 125.256 1.597 . . . . 1.0 113.463 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.55 -43.79 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 125.298 1.624 . . . . 1.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.497 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -73.55 -24.82 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.137 0 O-C-N 126.539 2.399 . . . . 1.0 112.639 176.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 HD23 ' HB ' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -71.22 -38.76 72.0 Favored 'General case' 0 C--N 1.362 1.127 0 O-C-N 126.054 2.096 . . . . 1.0 112.234 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.52 -27.12 58.59 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 126.97 2.669 . . . . 1.0 111.829 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.466 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.8 m-20 -66.07 -32.43 73.89 Favored 'General case' 0 C--N 1.393 2.483 0 O-C-N 124.98 1.425 . . . . 1.0 112.078 173.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mt -67.45 -34.13 76.57 Favored 'General case' 0 C--N 1.391 2.406 0 CA-C-N 114.652 -1.158 . . . . 1.0 112.743 174.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -63.92 -37.95 89.28 Favored 'General case' 0 C--N 1.376 1.729 0 O-C-N 125.334 1.646 . . . . 1.0 113.073 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.41 -44.73 26.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.148 0 CA-C-N 114.499 -1.228 . . . . 1.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.747 ' HA ' HD11 ' A' ' 55' ' ' ILE . 1.7 mt -64.72 -39.91 87.27 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 O-C-N 126.533 2.396 . . . . 1.0 112.44 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -58.85 -29.55 67.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 127.068 2.73 . . . . 1.0 113.421 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -72.58 -33.8 66.99 Favored 'General case' 0 C--N 1.398 2.694 0 O-C-N 124.809 1.318 . . . . 1.0 113.351 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.747 HD11 ' HA ' ' A' ' 52' ' ' ILE . 0.6 OUTLIER -86.14 -39.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 125.129 1.518 . . . . 1.0 111.344 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.43 65.23 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 125.45 1.718 . . . . 1.0 114.212 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -87.67 -35.16 18.15 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 125.99 2.056 . . . . 1.0 113.023 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -71.27 -20.3 62.24 Favored 'General case' 0 N--CA 1.516 2.836 0 O-C-N 127.693 3.12 . . . . 1.0 110.428 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.05 5.92 44.59 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 113.718 -1.583 . . . . 1.0 113.075 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 31.32 79.39 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 114.966 -1.015 . . . . 1.0 115.025 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.8 147.91 39.16 Favored 'General case' 0 C--N 1.377 1.799 0 C-N-CA 123.404 0.681 . . . . 1.0 109.313 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.49 124.68 70.37 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-N 114.738 -1.119 . . . . 1.0 111.353 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 124.74 48.09 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 125.358 1.661 . . . . 1.0 110.05 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.62 130.92 54.29 Favored 'General case' 0 C--O 1.262 1.711 0 O-C-N 124.98 1.425 . . . . 1.0 111.246 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.93 132.39 63.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 O-C-N 124.751 1.282 . . . . 1.0 108.127 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 3.1 mttt -80.18 134.33 55.92 Favored Pre-proline 0 C--N 1.38 1.906 0 O-C-N 125.732 1.895 . . . . 1.0 110.8 178.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 24.5 Cg_exo -67.94 124.54 11.96 Favored 'Trans proline' 0 C--N 1.412 3.892 0 N-CA-C 117.308 2.003 . . . . 1.0 117.308 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.2 140.68 54.6 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.087 -2.778 . . . . 1.0 109.972 176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -139.25 159.64 41.69 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.357 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.6 t -88.71 123.57 33.27 Favored 'General case' 0 C--O 1.273 2.339 0 O-C-N 125.988 2.055 . . . . 1.0 107.116 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -89.67 -6.2 56.37 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.25 -46.57 7.33 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.3 -20.1 18.77 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 125.598 1.811 . . . . 1.0 113.28 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.67 58.74 Favored Glycine 0 C--N 1.387 3.373 0 O-C-N 124.543 1.152 . . . . 1.0 113.622 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.81 134.59 48.01 Favored 'General case' 0 C--N 1.404 2.94 0 O-C-N 125.424 1.308 . . . . 1.0 111.815 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.84 127.94 62.0 Favored 'Isoleucine or valine' 0 C--O 1.265 1.889 0 O-C-N 125.726 1.891 . . . . 1.0 111.376 -175.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -99.54 151.6 20.97 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.405 1.69 . . . . 1.0 111.494 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -64.18 149.17 48.38 Favored 'General case' 0 C--O 1.275 2.44 0 O-C-N 124.956 1.41 . . . . 1.0 109.946 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.73 127.28 30.69 Favored 'General case' 0 C--N 1.377 1.769 0 O-C-N 124.711 1.257 . . . . 1.0 110.636 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -137.42 169.15 18.28 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 114.403 -1.272 . . . . 1.0 110.675 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.499 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -102.59 -81.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 CA-C-N 112.924 -1.943 . . . . 1.0 109.395 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -61.59 147.04 46.95 Favored 'General case' 0 C--O 1.28 2.666 0 O-C-N 125.378 1.674 . . . . 1.0 107.361 174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.33 135.71 19.3 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 124.677 1.236 . . . . 1.0 110.335 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -74.69 152.34 42.29 Favored 'Trans proline' 1 C--N 1.417 4.165 0 C-N-CA 122.061 1.841 . . . . 1.0 114.267 172.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m -85.56 -25.09 26.95 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 125.367 1.667 . . . . 1.0 112.022 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.514 ' HA ' ' HG ' ' A' ' 92' ' ' SER . 30.8 mtt180 -143.36 143.81 31.81 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 124.313 1.008 . . . . 1.0 110.184 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.8 141.44 44.29 Favored Pre-proline 0 C--N 1.384 2.084 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.261 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.41 -12.73 27.54 Favored 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 116.991 1.881 . . . . 1.0 116.991 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -94.52 -72.58 0.61 Allowed 'General case' 0 C--N 1.373 1.608 0 O-C-N 124.773 1.295 . . . . 1.0 113.537 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.45 ' HG ' ' H ' ' A' ' 91' ' ' LYS . 4.6 p -133.46 -104.45 0.24 Allowed 'General case' 0 N--CA 1.424 -1.727 0 O-C-N 125.267 1.604 . . . . 1.0 113.24 -173.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' H ' ' HG ' ' A' ' 90' ' ' CYS . 68.3 mttt -82.81 163.11 21.41 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 126.045 2.09 . . . . 1.0 112.522 -173.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.514 ' HG ' ' HA ' ' A' ' 86' ' ' ARG . 1.6 t -163.67 80.98 0.44 Allowed 'General case' 0 C--O 1.274 2.36 0 CA-C-O 122.641 1.21 . . . . 1.0 112.321 -175.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -146.06 -53.36 0.26 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.754 -1.112 . . . . 1.0 110.59 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -102.74 94.66 5.73 Favored 'General case' 0 C--O 1.252 1.193 0 O-C-N 125.772 1.92 . . . . 1.0 112.664 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.32 147.27 30.03 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-N 114.241 -1.345 . . . . 1.0 109.458 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.11 131.73 35.81 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 124.935 1.397 . . . . 1.0 110.648 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.29 143.22 44.65 Favored Pre-proline 0 C--N 1.369 1.425 0 O-C-N 124.901 1.375 . . . . 1.0 110.655 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -65.95 157.78 57.5 Favored 'Trans proline' 1 C--N 1.415 4.031 0 C-N-CA 122.594 2.196 . . . . 1.0 115.754 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -109.35 137.86 46.58 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-N 113.657 -1.61 . . . . 1.0 109.858 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.42 126.29 54.8 Favored 'General case' 0 C--O 1.257 1.476 0 O-C-N 125.014 1.446 . . . . 1.0 110.795 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.62 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -141.28 154.69 45.87 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.609 1.193 . . . . 1.0 110.878 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.99 128.86 55.2 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 124.353 1.033 . . . . 1.0 109.72 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -119.57 136.87 54.17 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 114.936 -1.029 . . . . 1.0 109.684 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.64 147.11 35.74 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.486 1.116 . . . . 1.0 110.054 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 2 N--CA 1.559 4.999 0 C-N-CA 126.508 1.923 . . . . 1.0 111.195 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 119.143 -0.456 . . . . 1.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.97 -32.05 7.72 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 124.255 0.972 . . . . 1.0 112.653 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -112.8 135.16 53.86 Favored 'General case' 0 C--O 1.26 1.625 0 O-C-N 125.049 1.468 . . . . 1.0 111.071 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.9 143.82 44.54 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 124.717 1.261 . . . . 1.0 110.81 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -101.11 129.84 47.06 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.541 1.151 . . . . 1.0 110.668 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -115.28 146.88 41.06 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 124.42 1.075 . . . . 1.0 111.324 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' NE2' HH22 ' A' ' 12' ' ' ARG . 0.2 OUTLIER -96.17 130.15 43.3 Favored 'General case' 0 C--O 1.259 1.575 0 O-C-N 124.105 0.878 . . . . 1.0 111.236 179.015 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.38 159.81 17.22 Favored Glycine 0 CA--C 1.486 -1.731 0 O-C-N 125.065 1.478 . . . . 1.0 112.535 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -85.05 -24.1 28.28 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.578 0.955 . . . . 1.0 113.578 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 124.364 1.04 . . . . 1.0 113.749 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -81.19 -37.82 28.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 124.199 0.937 . . . . 1.0 113.176 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.412 HH22 ' NE2' ' A' ' 7' ' ' HIS . 4.9 mtt180 -62.74 -38.3 89.98 Favored 'General case' 0 C--N 1.392 2.454 0 O-C-N 126.937 2.648 . . . . 1.0 112.474 177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.747 ' HA ' HD13 ' A' ' 16' ' ' ILE . 6.5 mtp180 -70.48 -36.76 74.04 Favored 'General case' 0 C--N 1.386 2.176 0 O-C-N 124.847 1.342 . . . . 1.0 112.588 174.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -65.39 -34.5 78.45 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 126.285 2.241 . . . . 1.0 112.176 176.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -67.36 -30.83 70.73 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.437 1.085 . . . . 1.0 112.979 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.747 HD13 ' HA ' ' A' ' 13' ' ' ARG . 5.9 mt -66.53 -48.29 80.96 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 O-C-N 124.312 1.007 . . . . 1.0 111.432 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -77.04 -1.01 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.829 0 O-C-N 124.822 1.326 . . . . 1.0 113.736 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -102.47 -42.98 5.78 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-N 114.223 -1.353 . . . . 1.0 113.398 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -25.93 21.77 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 124.917 1.386 . . . . 1.0 113.443 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -78.51 -9.56 59.38 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -177.636 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -11.64 48.24 Favored 'General case' 0 C--N 1.41 3.225 0 C-N-CA 124.368 1.067 . . . . 1.0 112.161 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -104.08 -26.14 12.7 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 124.415 1.072 . . . . 1.0 113.104 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.24 -165.06 17.29 Favored Glycine 0 CA--C 1.487 -1.714 0 O-C-N 124.763 1.289 . . . . 1.0 112.074 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.73 133.73 55.32 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 115.372 -0.414 . . . . 1.0 110.234 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.423 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 33.5 m-85 -140.96 143.02 34.29 Favored 'General case' 0 CA--C 1.472 -2.049 0 O-C-N 124.145 0.903 . . . . 1.0 109.576 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 159.85 76.45 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 117.827 -1.082 . . . . 1.0 110.597 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.655 ' HB3' HG23 ' A' ' 45' ' ' ILE . 13.9 Cg_endo -50.95 -45.5 35.96 Favored 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 123.149 2.566 . . . . 1.0 115.71 177.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.1 m -61.54 -31.37 71.39 Favored 'General case' 0 C--N 1.395 2.575 0 O-C-N 125.063 1.477 . . . . 1.0 112.737 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -74.53 -36.81 63.16 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 125.258 1.599 . . . . 1.0 112.648 176.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -1.78 13.0 Favored 'General case' 0 C--N 1.402 2.849 0 O-C-N 125.04 1.462 . . . . 1.0 111.699 172.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.36 -29.01 11.49 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 113.811 -1.541 . . . . 1.0 110.438 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -64.74 -45.1 87.88 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 124.419 1.074 . . . . 1.0 111.198 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 ' O ' HG22 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -83.52 84.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.279 2.613 0 C-N-CA 124.543 1.137 . . . . 1.0 108.926 174.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 36' ' ' MET . 0.2 OUTLIER -166.9 -22.31 0.02 OUTLIER 'General case' 0 CA--C 1.444 -3.129 0 N-CA-C 112.798 0.666 . . . . 1.0 112.798 -177.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.26 29.23 18.75 Favored 'General case' 0 C--N 1.409 3.174 0 C-N-CA 124.577 1.151 . . . . 1.0 111.814 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.474 ' HB2' HD23 ' A' ' 34' ' ' LEU . 16.1 mtm -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-N 115.111 -0.95 . . . . 1.0 110.919 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -110.98 134.39 52.63 Favored 'General case' 0 C--O 1.259 1.574 0 O-C-N 124.506 1.128 . . . . 1.0 110.063 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.34 165.13 27.21 Favored Glycine 0 C--O 1.259 1.712 0 O-C-N 124.716 1.26 . . . . 1.0 112.724 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.93 131.57 54.9 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 124.817 0.951 . . . . 1.0 110.753 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.48 86.74 1.91 Allowed Glycine 0 C--N 1.357 1.744 0 O-C-N 124.287 0.992 . . . . 1.0 112.673 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -136.15 -19.69 1.48 Allowed 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.845 0.968 . . . . 1.0 112.737 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' HG22 ' A' ' 45' ' ' ILE . 64.1 mttt -71.04 -54.05 12.54 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 114.187 1.18 . . . . 1.0 114.187 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.519 ' HA ' HD13 ' A' ' 46' ' ' LEU . 49.2 mttt -75.09 -32.29 61.42 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 125.038 1.462 . . . . 1.0 113.809 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.565 ' H ' HG23 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -67.85 -38.27 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 125.5 1.75 . . . . 1.0 112.223 179.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.655 HG23 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.48 -25.0 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 O-C-N 125.615 1.822 . . . . 1.0 112.937 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 43' ' ' LYS . 22.0 mt -72.86 -37.26 67.45 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 126.155 2.159 . . . . 1.0 112.63 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.78 56.05 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 126.307 2.255 . . . . 1.0 111.316 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.538 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.9 m-20 -67.12 -30.81 70.91 Favored 'General case' 0 C--N 1.388 2.273 0 O-C-N 124.585 1.178 . . . . 1.0 112.101 173.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.45 -33.47 75.21 Favored 'General case' 0 C--N 1.385 2.114 0 CA-C-N 114.759 -1.11 . . . . 1.0 112.699 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -36.52 84.35 Favored 'General case' 0 C--N 1.372 1.57 0 O-C-N 125.328 1.643 . . . . 1.0 113.002 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.534 HG13 HH21 ' A' ' 13' ' ' ARG . 2.2 t -76.15 -44.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 124.508 1.123 . . . . 1.0 111.439 179.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.538 HG12 ' O ' ' A' ' 48' ' ' ASP . 30.6 mm -70.72 -33.44 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 125.539 1.774 . . . . 1.0 113.394 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 m -61.73 -30.53 70.83 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 127.348 2.905 . . . . 1.0 113.507 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -72.65 -33.21 66.43 Favored 'General case' 0 C--N 1.387 2.216 0 O-C-N 124.785 1.303 . . . . 1.0 113.145 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.514 HD13 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.31 -39.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 124.835 1.334 . . . . 1.0 111.49 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.97 -24.19 64.21 Favored 'General case' 0 C--N 1.388 2.258 0 O-C-N 125.238 1.586 . . . . 1.0 114.086 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -89.56 -34.51 16.33 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 125.879 1.987 . . . . 1.0 112.953 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.32 -19.25 61.69 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 127.343 2.902 . . . . 1.0 110.378 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.62 5.85 46.26 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-N 114.05 -1.432 . . . . 1.0 112.78 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.93 31.32 80.13 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 115.044 -0.98 . . . . 1.0 114.684 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -115.3 148.85 38.71 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 123.274 0.63 . . . . 1.0 109.534 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.26 125.0 72.39 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-N 114.869 -1.059 . . . . 1.0 111.205 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -99.62 126.39 45.61 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.069 1.481 . . . . 1.0 110.389 176.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.21 129.75 55.86 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 124.454 1.096 . . . . 1.0 111.06 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 134.62 53.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 108.643 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -78.64 133.64 62.55 Favored Pre-proline 0 C--O 1.259 1.594 0 O-C-N 125.285 1.616 . . . . 1.0 110.609 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.5 122.84 10.35 Favored 'Trans proline' 0 C--N 1.41 3.815 0 N-CA-C 117.065 1.91 . . . . 1.0 117.065 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB3' ' HG3' ' A' ' 98' ' ' PRO . . . -69.15 141.09 54.68 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 111.552 -2.567 . . . . 1.0 110.187 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -138.97 157.88 45.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.268 -0.878 . . . . 1.0 111.461 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 50.4 m -88.95 123.61 33.46 Favored 'General case' 0 C--O 1.269 2.118 0 O-C-N 125.229 1.58 . . . . 1.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -84.41 -10.62 57.38 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 114.923 1.453 . . . . 1.0 114.923 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.515 ' HD2' ' HB2' ' A' ' 94' ' ' TRP . 28.7 mttt -93.18 -47.6 6.87 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 114.337 1.236 . . . . 1.0 114.337 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.3 p -96.52 -19.02 19.41 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.903 1.377 . . . . 1.0 113.327 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.63 -16.23 61.21 Favored Glycine 0 C--N 1.381 3.028 0 O-C-N 124.132 0.895 . . . . 1.0 113.849 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.79 133.47 42.38 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 125.408 1.299 . . . . 1.0 111.864 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.16 128.09 63.89 Favored 'Isoleucine or valine' 0 C--O 1.259 1.581 0 O-C-N 125.492 1.745 . . . . 1.0 111.136 -174.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -100.23 149.54 23.46 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 125.155 1.534 . . . . 1.0 111.837 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 148.48 51.82 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 125.008 1.443 . . . . 1.0 110.284 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.57 120.54 14.16 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.255 0.972 . . . . 1.0 111.198 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -126.39 177.61 6.35 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.942 -1.481 . . . . 1.0 110.533 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.523 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -103.14 -83.59 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 CA-C-N 113.857 -1.519 . . . . 1.0 109.531 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -59.58 142.28 53.09 Favored 'General case' 0 C--O 1.273 2.324 0 O-C-N 125.567 1.792 . . . . 1.0 107.44 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.85 140.27 21.83 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 124.568 1.167 . . . . 1.0 112.959 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -80.46 151.95 20.14 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 121.224 1.283 . . . . 1.0 114.956 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m -86.42 -17.77 33.49 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 125.023 1.452 . . . . 1.0 111.014 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -149.4 146.26 27.38 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 124.213 1.005 . . . . 1.0 110.193 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.14 126.6 87.82 Favored Pre-proline 0 C--N 1.369 1.424 0 O-C-N 124.603 1.189 . . . . 1.0 110.048 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.77 -20.15 52.55 Favored 'Trans proline' 0 C--N 1.411 3.817 0 N-CA-C 117.247 1.979 . . . . 1.0 117.247 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.7 -62.22 1.27 Allowed 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.734 1.271 . . . . 1.0 112.84 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -97.34 -20.11 18.06 Favored 'General case' 0 CA--C 1.439 -3.305 0 N-CA-C 113.884 1.068 . . . . 1.0 113.884 -174.269 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 90' ' ' CYS . 13.2 tttt 42.7 150.24 0.0 OUTLIER 'General case' 0 C--N 1.416 3.483 0 C-N-CA 124.286 1.035 . . . . 1.0 110.414 -173.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.473 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER 173.55 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.613 -1.176 . . . . 1.0 110.786 175.291 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.473 ' H ' ' HB3' ' A' ' 92' ' ' SER . 7.5 mt-10 -142.86 -36.17 0.39 Allowed 'General case' 0 C--N 1.36 1.039 0 O-C-N 124.959 1.412 . . . . 1.0 113.508 -170.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.515 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -93.94 93.93 8.18 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 126.353 2.283 . . . . 1.0 113.961 -176.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.69 139.96 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 114.446 -1.252 . . . . 1.0 108.009 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.3 134.92 35.01 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.793 1.933 . . . . 1.0 109.759 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.63 146.19 60.17 Favored Pre-proline 0 C--N 1.368 1.397 0 O-C-N 123.991 0.807 . . . . 1.0 111.846 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.485 ' HG3' ' HB3' ' A' ' 68' ' ' ALA . 23.1 Cg_exo -72.0 162.72 40.99 Favored 'Trans proline' 0 C--N 1.409 3.753 0 C-N-CA 122.209 1.939 . . . . 1.0 115.493 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.83 138.86 49.04 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 113.757 -1.565 . . . . 1.0 109.638 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -112.82 128.03 56.33 Favored 'General case' 0 C--O 1.254 1.328 0 O-C-N 124.961 1.413 . . . . 1.0 111.399 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -137.82 150.02 46.84 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 124.484 1.115 . . . . 1.0 110.806 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -120.73 131.35 54.48 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 123.853 0.721 . . . . 1.0 109.865 178.228 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -119.09 134.08 55.41 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 115.184 -0.916 . . . . 1.0 109.963 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.52 120.53 40.45 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 124.984 1.428 . . . . 1.0 111.052 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.6 mttt . . . . . 2 N--CA 1.56 5.045 0 C-N-CA 126.815 2.046 . . . . 1.0 111.956 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.73 0 CA-C-O 120.679 0.276 . . . . 1.0 110.388 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -107.63 -39.55 5.57 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.772 -0.649 . . . . 1.0 112.408 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -119.74 118.26 30.41 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 125.303 1.627 . . . . 1.0 110.447 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.76 131.33 42.89 Favored 'General case' 0 C--O 1.259 1.555 0 CA-C-N 115.046 -0.979 . . . . 1.0 110.96 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -123.02 133.02 54.36 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-N 114.991 -1.004 . . . . 1.0 108.687 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 m80 63.44 119.71 0.02 OUTLIER 'General case' 0 N--CA 1.534 3.751 0 C-N-CA 124.381 1.072 . . . . 1.0 111.823 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -114.21 132.23 56.19 Favored 'General case' 0 C--O 1.261 1.71 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.853 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.71 -71.79 0.35 Allowed Glycine 0 CA--C 1.475 -2.426 0 O-C-N 125.317 1.636 . . . . 1.0 114.285 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.11 -32.01 26.94 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.174 1.176 . . . . 1.0 114.174 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.75 56.35 Favored 'General case' 0 C--N 1.372 1.574 0 O-C-N 125.002 1.439 . . . . 1.0 113.932 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -84.77 -26.73 27.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.391 1.256 . . . . 1.0 114.391 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -45.9 65.77 Favored 'General case' 0 C--N 1.403 2.915 0 O-C-N 125.652 1.845 . . . . 1.0 114.157 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.715 ' HA ' HD11 ' A' ' 16' ' ' ILE . 67.1 mtt180 -67.08 -40.4 86.99 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 114.3 -1.318 . . . . 1.0 114.297 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.5 -37.93 86.14 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 126.277 2.236 . . . . 1.0 112.07 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.66 -30.01 70.17 Favored 'General case' 0 C--N 1.385 2.123 0 O-C-N 124.562 1.164 . . . . 1.0 113.393 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.715 HD11 ' HA ' ' A' ' 13' ' ' ARG . 9.3 mt -65.71 -48.85 80.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.513 0 O-C-N 124.191 0.932 . . . . 1.0 111.445 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.408 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -77.44 -2.64 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 O-C-N 124.79 1.306 . . . . 1.0 113.92 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -102.04 -42.82 5.96 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.274 -1.33 . . . . 1.0 113.771 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -22.43 24.86 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.097 1.498 . . . . 1.0 113.725 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -81.92 -9.88 59.45 Favored 'General case' 0 C--O 1.264 1.827 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -176.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -11.37 48.34 Favored 'General case' 0 C--N 1.407 3.081 0 C-N-CA 124.084 0.954 . . . . 1.0 112.65 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -102.98 -26.84 12.94 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 124.173 0.921 . . . . 1.0 113.066 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.39 -170.02 24.44 Favored Glycine 0 C--O 1.26 1.723 0 O-C-N 125.067 1.48 . . . . 1.0 112.311 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.58 132.73 55.79 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-O 121.478 0.656 . . . . 1.0 109.578 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.531 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 37.9 m-85 -139.19 145.91 39.9 Favored 'General case' 0 CA--C 1.473 -2.01 0 CA-C-N 115.021 -0.991 . . . . 1.0 110.388 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -76.87 157.63 81.47 Favored Pre-proline 0 C--O 1.257 1.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.035 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.28 -42.24 61.39 Favored 'Trans proline' 1 C--N 1.425 4.568 0 C-N-CA 122.726 2.284 . . . . 1.0 115.629 178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -66.44 -29.32 69.44 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.233 0.958 . . . . 1.0 113.403 173.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.531 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 13.2 mt-10 -75.13 -36.9 61.57 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 125.059 1.474 . . . . 1.0 113.036 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.84 -65.79 0.63 Allowed 'General case' 0 C--N 1.372 1.566 0 O-C-N 126.882 2.614 . . . . 1.0 108.751 178.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.614 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -48.61 -21.56 0.61 Allowed 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.998 1.319 . . . . 1.0 114.154 175.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 32' ' ' ARG . 1.0 OUTLIER -70.24 -43.47 70.51 Favored 'General case' 0 C--N 1.418 3.565 0 C-N-CA 124.618 1.167 . . . . 1.0 111.776 173.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.623 ' O ' HG22 ' A' ' 33' ' ' ILE . 1.1 tt -84.06 85.51 2.06 Favored 'Isoleucine or valine' 0 C--O 1.282 2.768 0 O-C-N 124.911 1.382 . . . . 1.0 107.562 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -170.4 173.71 5.52 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 121.179 0.514 . . . . 1.0 111.004 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.69 -2.17 51.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 114.004 -1.453 . . . . 1.0 111.733 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.5 mtm -103.68 159.26 15.76 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-N 115.624 -0.717 . . . . 1.0 110.88 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -71.48 -47.4 55.79 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 118.481 -0.771 . . . . 1.0 112.199 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 80.97 1.44 Allowed Glycine 0 C--N 1.366 2.228 0 O-C-N 125.832 1.957 . . . . 1.0 113.74 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -112.07 74.72 0.88 Allowed 'General case' 0 C--O 1.263 1.798 0 O-C-N 125.762 1.507 . . . . 1.0 109.387 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.458 ' O ' HG22 ' A' ' 44' ' ' VAL . . . 96.42 93.92 1.82 Allowed Glycine 0 C--N 1.367 2.25 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -133.19 -16.8 2.42 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.058 1.093 . . . . 1.0 112.957 -176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.3 mttp -68.48 -60.64 2.29 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.6 mttm -76.02 -28.46 57.75 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 125.741 1.901 . . . . 1.0 113.109 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 40' ' ' GLY . 2.2 t -68.09 -38.48 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 125.482 1.739 . . . . 1.0 111.411 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.01 -23.2 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 126.836 2.585 . . . . 1.0 112.668 177.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 33.9 mt -74.29 -36.1 63.74 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 126.126 2.141 . . . . 1.0 112.427 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -76.94 -27.85 55.01 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 126.498 2.374 . . . . 1.0 111.309 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.522 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -65.85 -30.64 71.28 Favored 'General case' 0 C--N 1.397 2.661 0 O-C-N 124.535 1.147 . . . . 1.0 111.834 174.771 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.18 -33.82 76.62 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 115.569 1.692 . . . . 1.0 115.569 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -62.62 -37.54 86.7 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 126.768 2.542 . . . . 1.0 113.623 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.549 ' H ' HG21 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -78.34 -42.69 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.195 1.398 . . . . 1.0 113.044 179.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 48' ' ' ASP . 29.3 mm -71.7 -32.63 45.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 124.75 1.281 . . . . 1.0 113.62 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -30.45 71.14 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 127.538 3.023 . . . . 1.0 113.083 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.23 -32.78 64.94 Favored 'General case' 0 C--N 1.384 2.098 0 O-C-N 124.938 1.399 . . . . 1.0 113.195 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.7 -40.17 13.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 125.026 1.454 . . . . 1.0 111.515 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -23.64 64.2 Favored 'General case' 0 C--N 1.39 2.344 0 O-C-N 125.307 1.629 . . . . 1.0 114.05 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -90.31 -34.68 15.63 Favored 'General case' 0 CA--C 1.584 2.279 0 O-C-N 125.73 1.894 . . . . 1.0 112.334 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -72.22 -19.65 61.68 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 128.043 3.339 . . . . 1.0 110.202 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.13 6.1 46.33 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 113.986 -1.461 . . . . 1.0 112.861 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.81 30.88 78.44 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 115.152 -0.931 . . . . 1.0 114.711 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.0 mtm -115.01 151.46 34.15 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 123.321 0.648 . . . . 1.0 109.816 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.19 124.17 72.62 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.369 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.92 126.22 46.03 Favored 'General case' 0 C--O 1.262 1.726 0 O-C-N 125.132 1.52 . . . . 1.0 109.851 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.17 131.21 54.88 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 124.414 1.072 . . . . 1.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.06 132.94 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 124.494 1.121 . . . . 1.0 108.445 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 20.7 mttt -81.85 135.36 48.82 Favored Pre-proline 0 C--N 1.374 1.673 0 O-C-N 125.355 1.659 . . . . 1.0 110.425 178.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 66' ' ' LYS . 23.9 Cg_exo -67.93 123.19 10.39 Favored 'Trans proline' 0 C--N 1.405 3.552 0 N-CA-C 117.619 2.123 . . . . 1.0 117.619 -178.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.17 141.19 56.09 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 111.231 -2.713 . . . . 1.0 109.4 176.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -139.71 156.49 46.77 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.765 -173.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.84 121.84 32.35 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 125.593 1.808 . . . . 1.0 107.16 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -93.73 2.5 56.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.8 -47.6 5.24 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 p -97.78 -20.64 17.42 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.916 1.385 . . . . 1.0 113.595 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.51 52.77 Favored Glycine 0 C--N 1.374 2.64 0 O-C-N 124.75 1.281 . . . . 1.0 113.438 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.433 ' HE2' ' HZ1' ' A' ' 89' ' ' LYS . 1.5 t80 -52.64 131.39 34.44 Favored 'General case' 0 C--N 1.398 2.704 0 O-C-N 125.211 1.183 . . . . 1.0 112.468 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.71 127.8 64.94 Favored 'Isoleucine or valine' 0 C--O 1.262 1.748 0 O-C-N 125.475 1.734 . . . . 1.0 110.82 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.09 150.91 20.93 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 124.843 1.339 . . . . 1.0 111.817 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -66.0 148.86 51.16 Favored 'General case' 0 C--O 1.269 2.086 0 O-C-N 124.881 1.363 . . . . 1.0 109.926 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 114.98 5.84 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 124.137 0.898 . . . . 1.0 111.049 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -122.82 175.33 6.6 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 114.058 -1.428 . . . . 1.0 110.77 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.513 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -100.72 -83.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.469 0 CA-C-N 114.38 -1.282 . . . . 1.0 110.554 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -58.35 140.3 53.77 Favored 'General case' 0 C--O 1.276 2.482 0 O-C-N 125.86 1.975 . . . . 1.0 107.165 173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.02 147.95 33.93 Favored Pre-proline 0 CA--C 1.563 1.449 0 O-C-N 124.919 1.387 . . . . 1.0 113.107 -175.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -80.46 155.59 21.65 Favored 'Trans proline' 0 C--N 1.394 2.945 0 C-N-CA 121.732 1.621 . . . . 1.0 115.056 169.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 m -97.39 -20.78 17.58 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 125.369 1.668 . . . . 1.0 111.465 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -149.9 144.65 26.05 Favored 'General case' 0 C--O 1.263 1.799 0 CA-C-N 115.164 -0.926 . . . . 1.0 110.445 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.25 128.01 90.75 Favored Pre-proline 0 C--O 1.26 1.628 0 O-C-N 124.816 1.322 . . . . 1.0 111.389 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.34 -20.54 27.68 Favored 'Trans proline' 1 C--N 1.416 4.112 0 N-CA-C 116.747 1.787 . . . . 1.0 116.747 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.433 ' HZ1' ' HE2' ' A' ' 75' ' ' PHE . 21.6 mttt -84.62 -51.39 6.88 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.606 1.191 . . . . 1.0 111.266 179.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.2 p -141.83 -101.86 0.14 Allowed 'General case' 0 N--CA 1.427 -1.624 0 O-C-N 125.933 2.021 . . . . 1.0 111.436 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -137.49 147.38 45.21 Favored 'General case' 0 C--O 1.26 1.621 0 O-C-N 125.236 1.585 . . . . 1.0 111.087 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.32 136.85 31.95 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 114.769 -1.105 . . . . 1.0 110.406 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -149.22 -50.89 0.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.989 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -102.17 94.01 5.52 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 125.966 2.041 . . . . 1.0 110.851 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 147.1 31.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.357 0 CA-C-N 114.756 -1.111 . . . . 1.0 109.813 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.28 131.32 36.15 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 124.337 1.023 . . . . 1.0 110.345 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -80.19 140.3 53.03 Favored Pre-proline 0 C--O 1.256 1.414 0 O-C-N 124.83 1.331 . . . . 1.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -62.72 157.51 47.08 Favored 'Trans proline' 0 C--N 1.411 3.866 0 C-N-CA 122.087 1.858 . . . . 1.0 115.409 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -109.75 135.75 50.18 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 113.388 -1.733 . . . . 1.0 110.573 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -117.55 127.49 54.04 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 124.962 1.414 . . . . 1.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -141.15 156.92 45.88 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 124.291 0.994 . . . . 1.0 110.492 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.48 136.3 53.9 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 123.8 0.687 . . . . 1.0 109.993 179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.56 133.23 55.76 Favored 'General case' 0 C--O 1.263 1.789 0 CA-C-N 114.912 -1.04 . . . . 1.0 109.654 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -102.87 121.79 43.22 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 125.621 1.826 . . . . 1.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 4.988 0 C-N-CA 126.893 2.077 . . . . 1.0 112.012 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 119.05 -0.5 . . . . 1.0 112.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -114.98 139.32 49.93 Favored 'General case' 0 C--O 1.26 1.618 0 O-C-N 124.484 1.115 . . . . 1.0 110.511 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -109.51 129.74 55.55 Favored 'General case' 0 C--O 1.262 1.737 0 O-C-N 124.773 1.295 . . . . 1.0 110.416 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.12 142.39 48.96 Favored 'General case' 0 C--O 1.256 1.438 0 O-C-N 124.726 1.266 . . . . 1.0 111.122 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -103.55 137.23 41.92 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 124.46 1.1 . . . . 1.0 110.394 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.413 ' CE1' HH22 ' A' ' 12' ' ' ARG . 48.2 m-70 -111.91 131.91 55.07 Favored 'General case' 0 C--O 1.258 1.511 0 O-C-N 124.547 1.154 . . . . 1.0 111.507 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.24 -35.69 6.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.263 0.977 . . . . 1.0 112.227 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.3 -113.05 1.92 Allowed Glycine 0 CA--C 1.48 -2.116 0 O-C-N 126.01 2.069 . . . . 1.0 112.613 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.3 -22.54 26.7 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.639 1.348 . . . . 1.0 114.639 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.27 74.18 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.465 1.283 . . . . 1.0 114.465 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -83.72 -36.94 23.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 125.034 1.459 . . . . 1.0 114.137 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.413 HH22 ' CE1' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -68.26 -41.09 81.62 Favored 'General case' 0 C--N 1.404 2.95 0 O-C-N 126.775 2.547 . . . . 1.0 113.522 178.122 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -69.66 -37.52 76.75 Favored 'General case' 0 C--N 1.387 2.226 0 O-C-N 125.268 1.605 . . . . 1.0 113.254 177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -67.45 -35.93 80.19 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.08 2.112 . . . . 1.0 112.055 176.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -64.56 -32.51 74.19 Favored 'General case' 0 C--N 1.389 2.299 0 O-C-N 124.419 1.075 . . . . 1.0 113.076 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 6.5 mt -67.64 -46.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 O-C-N 124.453 1.095 . . . . 1.0 110.986 176.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -11.62 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 O-C-N 125.09 1.494 . . . . 1.0 113.681 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -98.97 -40.07 8.24 Favored 'General case' 0 C--O 1.244 0.763 0 O-C-N 125.343 1.652 . . . . 1.0 114.12 -172.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -21.3 23.88 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.497 1.748 . . . . 1.0 113.899 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.93 -9.38 58.14 Favored 'General case' 0 C--O 1.267 2.015 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 -175.088 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -11.27 52.61 Favored 'General case' 0 C--N 1.405 2.994 0 C-N-CA 124.028 0.931 . . . . 1.0 112.927 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -103.87 -26.22 12.76 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 124.64 1.213 . . . . 1.0 113.158 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.85 179.85 35.13 Favored Glycine 0 CA--C 1.486 -1.77 0 O-C-N 125.066 1.479 . . . . 1.0 112.039 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.516 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 5.0 p-10 -112.1 131.24 55.56 Favored 'General case' 0 C--O 1.268 2.066 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.073 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.83 146.75 47.83 Favored 'General case' 0 CA--C 1.471 -2.09 0 O-C-N 124.772 1.295 . . . . 1.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.13 161.63 67.38 Favored Pre-proline 0 C--O 1.251 1.172 0 O-C-N 124.491 1.119 . . . . 1.0 110.055 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.579 ' HB3' HG22 ' A' ' 45' ' ' ILE . 83.8 Cg_exo -52.64 -46.52 32.84 Favored 'Trans proline' 1 C--N 1.43 4.868 0 C-N-CA 122.801 2.334 . . . . 1.0 115.209 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.29 -32.42 71.18 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 124.54 1.15 . . . . 1.0 113.03 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.89 -35.99 69.91 Favored 'General case' 0 C--N 1.405 2.986 0 O-C-N 125.249 1.593 . . . . 1.0 112.783 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' HB3' HD12 ' A' ' 45' ' ' ILE . 0.4 OUTLIER -71.16 -3.23 18.96 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 125.431 1.707 . . . . 1.0 112.044 173.138 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.05 -30.47 11.16 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-N 113.559 -1.655 . . . . 1.0 110.12 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -64.66 -47.6 77.88 Favored 'General case' 0 C--N 1.396 2.618 0 O-C-N 124.227 0.955 . . . . 1.0 111.332 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.808 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -84.08 83.08 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.967 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 174.755 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.808 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER 152.67 -161.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 -176.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.79 132.8 49.7 Favored 'General case' 0 C--O 1.271 2.197 0 CA-C-N 114.011 -1.449 . . . . 1.0 108.252 175.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.5 mtm -85.47 -33.5 21.84 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 114.477 1.288 . . . . 1.0 114.477 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 66.52 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.417 3.525 0 C-N-CA 124.928 1.291 . . . . 1.0 110.065 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.65 -107.91 0.23 Allowed Glycine 0 N--CA 1.411 -2.993 0 O-C-N 126.012 2.07 . . . . 1.0 112.89 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -110.44 135.31 51.33 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 125.828 1.546 . . . . 1.0 111.547 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.07 77.17 0.96 Allowed Glycine 0 C--N 1.361 1.952 0 O-C-N 124.626 1.204 . . . . 1.0 113.156 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -129.72 -31.1 2.01 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 125.217 1.187 . . . . 1.0 112.525 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.42 ' O ' HG21 ' A' ' 45' ' ' ILE . 62.2 mttt -73.94 -52.62 12.29 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.5 mttt -74.74 -29.33 61.12 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 125.476 1.735 . . . . 1.0 113.832 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 44' ' ' VAL . 2.7 t -67.6 -40.43 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 125.688 1.867 . . . . 1.0 111.305 179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.579 HG22 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -73.33 -24.9 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 O-C-N 126.584 2.427 . . . . 1.0 112.939 178.046 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 12.4 mt -73.62 -36.77 65.5 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.346 2.279 . . . . 1.0 112.131 -178.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.02 -27.72 61.09 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 126.361 2.288 . . . . 1.0 111.349 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -33.29 75.61 Favored 'General case' 0 C--N 1.395 2.586 0 O-C-N 124.726 1.266 . . . . 1.0 111.863 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -34.33 78.17 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 116.185 1.92 . . . . 1.0 116.185 174.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.15 -36.03 82.7 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 126.952 2.658 . . . . 1.0 112.248 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.51 -45.26 46.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 124.594 1.157 . . . . 1.0 111.689 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.468 ' HA ' HD13 ' A' ' 55' ' ' ILE . 9.1 mt -69.57 -36.61 71.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 126.013 2.071 . . . . 1.0 112.335 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 p -60.73 -31.62 70.92 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 126.299 2.25 . . . . 1.0 114.355 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -71.34 -34.58 70.65 Favored 'General case' 0 C--N 1.39 2.342 0 O-C-N 125.084 1.49 . . . . 1.0 113.226 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -85.16 -39.08 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 O-C-N 125.29 1.619 . . . . 1.0 111.542 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -60.09 -24.74 64.87 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 125.509 1.755 . . . . 1.0 114.708 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -90.23 -35.4 15.35 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 125.762 1.914 . . . . 1.0 112.338 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -72.04 -21.75 61.49 Favored 'General case' 0 N--CA 1.524 3.241 0 O-C-N 128.486 3.616 . . . . 1.0 109.958 170.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.83 12.68 34.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-N 114.089 -1.414 . . . . 1.0 113.318 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.51 -60.06 1.58 Allowed Glycine 0 C--N 1.368 2.346 0 CA-C-O 117.85 -1.528 . . . . 1.0 116.591 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' ALA . 20.5 mtm -37.97 115.54 0.44 Allowed 'General case' 0 C--N 1.403 2.896 0 O-C-N 128.714 3.244 . . . . 1.0 110.948 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.81 139.67 18.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 114.846 -1.07 . . . . 1.0 112.801 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.717 HD23 ' HG ' ' A' ' 102' ' ' LEU . 3.0 mm? -94.8 123.9 38.52 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 126.016 2.072 . . . . 1.0 113.156 176.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.91 131.13 55.57 Favored 'General case' 0 C--O 1.261 1.701 0 O-C-N 125.097 1.498 . . . . 1.0 110.783 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.28 131.42 65.03 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 O-C-N 124.641 1.213 . . . . 1.0 108.819 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -83.63 134.76 44.24 Favored Pre-proline 0 C--N 1.376 1.72 0 O-C-N 125.6 1.812 . . . . 1.0 109.911 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -67.55 118.88 5.92 Favored 'Trans proline' 0 C--N 1.409 3.745 0 N-CA-C 117.377 2.029 . . . . 1.0 117.377 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 141.75 58.27 Favored 'General case' 0 C--O 1.271 2.237 0 CA-C-N 110.697 -2.956 . . . . 1.0 109.114 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.607 ' HG3' HG12 ' A' ' 76' ' ' VAL . 2.6 tt0 -136.35 149.33 48.31 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 123.996 0.81 . . . . 1.0 111.905 -172.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -90.73 120.23 31.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 106.335 -1.728 . . . . 1.0 106.335 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -91.02 0.48 57.53 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.436 1.272 . . . . 1.0 114.436 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -99.8 -49.1 4.47 Favored 'General case' 0 C--N 1.362 1.148 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.94 -21.41 18.05 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 124.508 1.13 . . . . 1.0 113.032 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.53 -18.15 57.38 Favored Glycine 0 C--N 1.38 2.974 0 O-C-N 124.782 1.301 . . . . 1.0 113.562 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -53.0 131.71 36.57 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 125.199 1.176 . . . . 1.0 113.148 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.607 HG12 ' HG3' ' A' ' 69' ' ' GLN . 6.7 t -105.67 130.1 57.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.092 0 O-C-N 125.744 1.902 . . . . 1.0 109.461 -176.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.78 147.6 24.22 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.08 1.487 . . . . 1.0 111.381 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.37 153.38 43.06 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 124.781 1.301 . . . . 1.0 110.589 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.89 116.91 9.91 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.367 1.042 . . . . 1.0 111.306 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -123.31 174.51 7.27 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.665 -1.607 . . . . 1.0 110.482 -175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.471 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -103.63 46.3 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.675 0 CA-C-N 114.458 -1.246 . . . . 1.0 111.906 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.64 170.89 7.82 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 122.24 -0.288 . . . . 1.0 111.185 -175.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -119.03 126.4 27.1 Favored Pre-proline 0 CA--C 1.579 2.063 0 O-C-N 124.499 1.124 . . . . 1.0 108.427 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -77.97 146.18 22.93 Favored 'Trans proline' 0 C--N 1.389 2.684 0 C-N-CA 121.429 1.42 . . . . 1.0 115.597 171.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -97.04 -26.49 14.98 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.514 1.759 . . . . 1.0 111.044 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -146.83 141.37 26.57 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 123.702 0.801 . . . . 1.0 110.17 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.491 ' HB3' ' HG ' ' A' ' 90' ' ' CYS . 0.5 OUTLIER -64.55 124.52 86.28 Favored Pre-proline 0 C--N 1.398 2.679 0 O-C-N 124.603 1.19 . . . . 1.0 109.795 176.658 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.34 -34.03 36.54 Favored 'Trans proline' 0 C--N 1.413 3.957 0 C-N-CA 122.57 2.18 . . . . 1.0 117.26 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.42 -43.73 18.51 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.621 1.201 . . . . 1.0 111.895 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.491 ' HG ' ' HB3' ' A' ' 87' ' ' CYS . 6.0 p -118.42 -117.81 0.32 Allowed 'General case' 0 N--CA 1.397 -3.083 0 O-C-N 125.72 1.887 . . . . 1.0 110.609 -177.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -165.34 2.36 0.03 OUTLIER 'General case' 0 C--O 1.275 2.436 0 O-C-N 124.888 1.367 . . . . 1.0 113.671 -170.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 p -45.36 174.91 0.0 OUTLIER 'General case' 0 C--O 1.28 2.665 0 O-C-N 125.586 1.804 . . . . 1.0 114.266 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.95 -30.63 0.8 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.451 -1.25 . . . . 1.0 113.397 -165.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 94.23 9.55 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.889 2.618 . . . . 1.0 112.393 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 138.68 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 114.553 -1.203 . . . . 1.0 108.484 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.36 131.68 42.64 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 125.883 1.99 . . . . 1.0 108.85 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.17 138.51 72.12 Favored Pre-proline 0 C--O 1.254 1.336 0 O-C-N 124.259 0.974 . . . . 1.0 112.238 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.23 157.84 55.46 Favored 'Trans proline' 1 C--N 1.418 4.22 0 C-N-CA 121.646 1.564 . . . . 1.0 114.43 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -112.74 138.24 49.84 Favored 'General case' 0 C--O 1.26 1.62 0 CA-C-N 113.787 -1.551 . . . . 1.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.65 130.2 56.77 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 125.236 1.585 . . . . 1.0 110.122 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 23.7 mttt -138.46 153.23 48.83 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 124.485 1.116 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.717 ' HG ' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -117.61 129.29 55.66 Favored 'General case' 0 C--O 1.264 1.858 0 O-C-N 124.48 1.113 . . . . 1.0 109.539 178.329 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -124.33 148.38 47.52 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.054 -0.975 . . . . 1.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.42 ' HA ' ' HG2' ' A' ' 61' ' ' MET . 49.6 mtt180 -104.77 120.02 40.39 Favored 'General case' 0 C--O 1.259 1.6 0 O-C-N 125.3 1.625 . . . . 1.0 110.67 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 2 N--CA 1.56 5.036 0 C-N-CA 126.935 2.094 . . . . 1.0 112.046 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.005 0 N-CA-C 110.123 -0.325 . . . . 1.0 110.123 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -112.02 -22.16 11.17 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.863 1.352 . . . . 1.0 113.437 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.81 127.09 47.4 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.176 1.547 . . . . 1.0 111.409 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.5 146.86 43.25 Favored 'General case' 0 C--O 1.26 1.612 0 O-C-N 125.081 1.488 . . . . 1.0 110.926 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 118.06 30.65 Favored 'General case' 0 C--O 1.268 2.049 0 O-C-N 125.119 1.512 . . . . 1.0 110.207 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -118.54 138.47 52.51 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 124.73 1.269 . . . . 1.0 111.245 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -115.08 130.78 57.02 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 125.153 1.533 . . . . 1.0 110.608 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.22 158.02 16.46 Favored Glycine 0 C--O 1.259 1.661 0 O-C-N 125.308 1.63 . . . . 1.0 112.154 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -85.69 -25.88 26.26 Favored 'General case' 0 C--O 1.265 1.906 0 O-C-N 125.057 1.092 . . . . 1.0 113.415 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.73 41.12 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 125.163 1.539 . . . . 1.0 113.406 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -82.74 -40.79 20.05 Favored 'General case' 0 C--N 1.373 1.624 0 O-C-N 124.974 1.421 . . . . 1.0 112.803 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' O ' HG12 ' A' ' 16' ' ' ILE . 84.8 mtt180 -61.13 -39.26 89.34 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 127.388 2.93 . . . . 1.0 112.169 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -70.64 -36.36 73.39 Favored 'General case' 0 C--N 1.388 2.281 0 O-C-N 125.711 1.882 . . . . 1.0 112.94 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.8 mt-10 -65.56 -33.02 74.94 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 126.114 2.134 . . . . 1.0 112.879 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -70.14 -25.46 63.48 Favored 'General case' 0 C--N 1.38 1.92 0 O-C-N 124.771 1.294 . . . . 1.0 113.328 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 36.5 mm -68.64 -46.75 79.39 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 124.62 1.2 . . . . 1.0 112.042 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -79.93 3.31 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.158 0 O-C-N 126.061 2.101 . . . . 1.0 113.284 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -107.95 -40.18 5.32 Favored 'General case' 0 C--N 1.392 2.433 0 C-N-CA 124.093 0.957 . . . . 1.0 112.618 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -22.5 20.7 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 124.881 1.363 . . . . 1.0 112.888 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -81.85 -10.5 59.3 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.686 1.195 . . . . 1.0 114.002 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.9 -10.17 51.47 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.988 1.315 . . . . 1.0 112.667 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.57 -26.15 12.46 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 125.222 1.576 . . . . 1.0 113.716 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.53 -173.7 31.54 Favored Glycine 0 C--O 1.264 1.978 0 O-C-N 124.723 1.264 . . . . 1.0 111.936 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.481 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 2.4 p-10 -116.01 130.71 56.94 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 124.494 0.761 . . . . 1.0 110.586 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 42.7 m-85 -137.25 144.39 42.73 Favored 'General case' 0 C--O 1.271 2.203 0 O-C-N 124.634 1.209 . . . . 1.0 110.043 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 m -72.82 159.91 84.17 Favored Pre-proline 0 C--O 1.256 1.42 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.462 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.792 ' HB3' HG23 ' A' ' 45' ' ' ILE . 86.8 Cg_exo -53.12 -45.28 42.21 Favored 'Trans proline' 1 C--N 1.431 4.918 0 C-N-CA 122.765 2.31 . . . . 1.0 114.947 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -66.56 -27.18 67.54 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 124.609 1.193 . . . . 1.0 112.896 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 10.1 mt-10 -76.14 -39.71 54.41 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 125.732 1.895 . . . . 1.0 112.914 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.32 -63.85 1.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 127.835 3.21 . . . . 1.0 111.125 177.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.47 -20.57 1.9 Allowed 'General case' 0 C--N 1.377 1.798 0 N-CA-C 114.749 1.388 . . . . 1.0 114.749 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -41.79 73.32 Favored 'General case' 0 C--N 1.398 2.703 0 O-C-N 125.009 1.443 . . . . 1.0 112.882 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.586 ' O ' HG23 ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.07 84.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.038 0 O-C-N 125.599 1.812 . . . . 1.0 109.063 173.256 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.19 -8.99 0.01 OUTLIER 'General case' 0 C--O 1.257 1.487 0 O-C-N 120.286 -1.509 . . . . 1.0 112.826 -171.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 62.42 27.94 16.57 Favored 'General case' 0 C--N 1.413 3.364 0 O-C-N 125.572 1.795 . . . . 1.0 111.662 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mtm -131.28 156.45 45.42 Favored 'General case' 0 C--O 1.264 1.817 0 CA-C-N 114.71 -1.132 . . . . 1.0 111.367 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -96.04 132.59 41.23 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 125.145 1.528 . . . . 1.0 109.751 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.87 127.72 6.8 Favored Glycine 0 C--N 1.352 1.471 0 O-C-N 125.238 1.586 . . . . 1.0 112.55 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -109.21 -41.5 4.65 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 125.811 1.536 . . . . 1.0 112.287 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.32 85.66 0.24 Allowed Glycine 0 C--N 1.37 2.439 0 O-C-N 125.322 1.639 . . . . 1.0 111.371 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -11.28 9.5 Favored 'General case' 0 C--O 1.271 2.187 0 O-C-N 126.095 1.703 . . . . 1.0 112.856 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -64.11 -52.09 60.82 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-O 117.648 -1.167 . . . . 1.0 113.352 -174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -74.56 -29.82 61.5 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 125.268 1.605 . . . . 1.0 113.935 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.411 ' H ' HG22 ' A' ' 44' ' ' VAL . 2.1 t -67.64 -42.12 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 125.979 2.049 . . . . 1.0 111.338 178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.04 -22.67 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.628 0 O-C-N 125.506 1.754 . . . . 1.0 113.257 178.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 22.3 mt -76.42 -35.33 58.6 Favored 'General case' 0 C--N 1.372 1.559 0 O-C-N 124.899 1.374 . . . . 1.0 112.433 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.13 -27.4 57.05 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 126.836 2.585 . . . . 1.0 111.806 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.29 -34.58 78.32 Favored 'General case' 0 C--N 1.394 2.536 0 O-C-N 125.231 1.582 . . . . 1.0 112.244 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.3 mt -65.79 -33.04 74.93 Favored 'General case' 0 C--N 1.386 2.172 0 O-C-N 125.599 1.812 . . . . 1.0 113.189 176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.72 -36.08 81.83 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.267 2.23 . . . . 1.0 112.58 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.29 -44.42 42.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.803 0 C-N-CA 124.978 1.311 . . . . 1.0 111.254 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.76 -32.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 O-C-N 125.682 1.864 . . . . 1.0 111.466 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -64.2 -31.85 73.21 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.93 1.394 . . . . 1.0 113.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.12 -34.32 68.49 Favored 'General case' 0 C--N 1.385 2.115 0 O-C-N 125.333 1.646 . . . . 1.0 113.678 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -85.2 -40.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 O-C-N 125.518 1.762 . . . . 1.0 111.983 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.75 -25.38 64.83 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 126.68 2.488 . . . . 1.0 113.774 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -88.29 -35.26 17.34 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.115 2.134 . . . . 1.0 115.199 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -69.5 -19.28 63.73 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 113.851 -1.522 . . . . 1.0 113.23 167.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 6.9 44.05 Favored 'General case' 0 C--O 1.276 2.48 0 CA-C-N 113.313 -1.767 . . . . 1.0 113.012 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.18 34.46 89.17 Favored Glycine 0 C--N 1.391 3.631 0 CA-C-O 117.864 -1.52 . . . . 1.0 114.474 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 mtm -120.76 147.69 44.98 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 125.044 1.085 . . . . 1.0 108.964 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 114.527 -1.215 . . . . 1.0 110.835 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -98.86 127.98 44.93 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 124.887 1.367 . . . . 1.0 110.213 176.382 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 126.9 53.51 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.541 1.151 . . . . 1.0 111.061 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.35 132.19 60.57 Favored 'Isoleucine or valine' 0 C--O 1.269 2.118 0 O-C-N 124.943 1.402 . . . . 1.0 108.962 -178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.58 135.19 46.61 Favored Pre-proline 0 C--O 1.27 2.146 0 O-C-N 125.872 1.982 . . . . 1.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.97 126.91 14.44 Favored 'Trans proline' 1 C--N 1.418 4.229 0 C-N-CA 122.189 1.926 . . . . 1.0 115.157 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.14 58.26 Favored 'General case' 0 C--O 1.259 1.581 0 CA-C-N 110.938 -2.846 . . . . 1.0 109.425 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -136.29 148.12 47.81 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.186 0.929 . . . . 1.0 110.882 -172.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 64.5 m -86.99 121.46 29.49 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 124.888 1.367 . . . . 1.0 108.586 172.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -88.71 -5.4 58.13 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.692 1.367 . . . . 1.0 114.692 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -95.67 -50.23 5.03 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 124.175 0.922 . . . . 1.0 113.411 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -95.64 -19.44 19.74 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 125.882 1.989 . . . . 1.0 113.155 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.33 -18.67 57.05 Favored Glycine 0 C--N 1.379 2.937 0 O-C-N 125.651 1.844 . . . . 1.0 114.123 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.02 132.84 43.23 Favored 'General case' 0 C--N 1.406 3.032 0 O-C-N 126.553 1.972 . . . . 1.0 111.512 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.9 p -104.1 131.86 51.93 Favored 'Isoleucine or valine' 0 C--O 1.26 1.639 0 CA-C-N 113.586 -1.643 . . . . 1.0 110.029 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.77 149.85 23.75 Favored 'General case' 0 C--O 1.259 1.563 0 O-C-N 125.439 1.712 . . . . 1.0 111.298 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 146.43 54.67 Favored 'General case' 0 C--O 1.262 1.714 0 CA-C-N 114.562 -1.199 . . . . 1.0 110.584 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.06 117.7 9.48 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.675 1.235 . . . . 1.0 110.796 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.5 178.19 5.53 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 113.358 -1.747 . . . . 1.0 110.088 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.498 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -106.58 -80.82 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.738 0 CA-C-N 113.817 -1.538 . . . . 1.0 109.678 -179.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -63.18 143.45 57.78 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 124.577 1.173 . . . . 1.0 108.782 171.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.1 147.2 33.78 Favored Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 124.859 1.349 . . . . 1.0 111.363 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -79.31 159.62 26.18 Favored 'Trans proline' 1 C--N 1.414 4.01 0 C-N-CA 121.893 1.729 . . . . 1.0 114.439 169.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 -21.84 22.5 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.815 1.322 . . . . 1.0 111.976 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -151.73 153.44 34.34 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 124.702 1.252 . . . . 1.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.55 142.85 67.09 Favored Pre-proline 0 C--O 1.256 1.441 0 O-C-N 125.376 1.672 . . . . 1.0 111.246 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -70.39 -17.75 34.51 Favored 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 122.34 2.027 . . . . 1.0 115.278 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -86.11 -64.86 1.08 Allowed 'General case' 0 C--N 1.37 1.495 0 O-C-N 125.483 1.739 . . . . 1.0 110.882 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 6.4 p -120.53 -169.11 1.75 Allowed 'General case' 0 C--O 1.266 1.93 0 O-C-N 124.452 1.095 . . . . 1.0 110.166 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -106.26 26.94 9.18 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 124.66 1.225 . . . . 1.0 111.594 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.17 112.77 3.56 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 114.856 -1.066 . . . . 1.0 110.294 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.03 5.53 48.47 Favored 'General case' 0 C--O 1.273 2.341 0 CA-C-N 113.465 -1.698 . . . . 1.0 114.013 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 88.12 4.51 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 122.158 0.98 . . . . 1.0 111.698 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.29 144.01 30.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.572 0 CA-C-N 113.493 -1.685 . . . . 1.0 109.214 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.08 132.72 36.37 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 125.648 1.842 . . . . 1.0 109.786 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.22 139.54 48.85 Favored Pre-proline 0 C--O 1.262 1.726 0 O-C-N 124.13 0.894 . . . . 1.0 111.625 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.43 160.24 43.72 Favored 'Trans proline' 1 C--N 1.421 4.36 0 C-N-CA 121.651 1.567 . . . . 1.0 114.305 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -113.94 139.33 49.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 125.533 1.771 . . . . 1.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -115.86 129.55 56.46 Favored 'General case' 0 C--O 1.261 1.703 0 O-C-N 125.429 1.706 . . . . 1.0 110.147 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 15.6 mttt -139.76 151.81 46.1 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 124.785 1.303 . . . . 1.0 110.788 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.46 130.96 54.53 Favored 'General case' 0 C--O 1.272 2.241 0 O-C-N 125.007 1.442 . . . . 1.0 110.132 178.693 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.5 136.74 54.68 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 125.091 1.495 . . . . 1.0 110.439 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -97.83 119.81 37.1 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 125.561 1.788 . . . . 1.0 111.267 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 2 N--CA 1.559 4.985 0 C-N-CA 126.909 2.083 . . . . 1.0 111.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.553 0 N-CA-C 111.308 0.114 . . . . 1.0 111.308 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -114.52 134.23 55.18 Favored 'General case' 0 C--O 1.26 1.623 0 O-C-N 125.197 1.561 . . . . 1.0 111.103 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -111.75 130.79 55.68 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 125.202 1.564 . . . . 1.0 111.036 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -113.75 123.19 49.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 125.652 1.845 . . . . 1.0 111.826 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -115.02 135.93 53.69 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 125.552 1.782 . . . . 1.0 109.953 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 67.29 134.2 0.02 OUTLIER 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 128.434 2.694 . . . . 1.0 113.183 -178.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 127.78 53.08 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 125.22 1.575 . . . . 1.0 111.384 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 141.08 12.85 Favored Glycine 0 C--N 1.359 1.818 0 O-C-N 125.958 2.036 . . . . 1.0 113.484 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -81.19 -26.17 36.18 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 125.706 1.602 . . . . 1.0 113.566 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.21 56.9 Favored 'General case' 0 C--N 1.391 2.394 0 C-N-CA 126.569 1.948 . . . . 1.0 113.543 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -74.52 -42.37 59.01 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 126.115 1.766 . . . . 1.0 112.104 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -52.96 -39.53 63.01 Favored 'General case' 0 N--CA 1.538 3.952 0 O-C-N 124.903 1.377 . . . . 1.0 112.421 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.418 ' HA ' HD11 ' A' ' 16' ' ' ILE . 13.1 mtp180 -70.44 -35.97 73.67 Favored 'General case' 0 N--CA 1.526 3.345 0 C-N-CA 125.832 1.653 . . . . 1.0 112.283 172.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -65.25 -33.69 76.58 Favored 'General case' 0 N--CA 1.523 3.188 0 O-C-N 125.41 1.694 . . . . 1.0 112.624 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -65.65 -37.62 87.04 Favored 'General case' 0 C--N 1.406 3.06 0 C-N-CA 127.27 2.228 . . . . 1.0 112.651 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 3.8 mt -62.88 -49.31 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.753 0 C-N-CA 126.033 1.733 . . . . 1.0 108.705 174.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -68.58 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.791 0 C-N-CA 125.863 1.665 . . . . 1.0 113.874 177.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.37 -41.74 8.86 Favored 'General case' 0 C--N 1.396 2.621 0 C-N-CA 125.27 1.428 . . . . 1.0 112.834 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.85 -30.0 21.78 Favored 'General case' 0 C--N 1.401 2.841 0 N-CA-C 114.935 1.457 . . . . 1.0 114.935 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 4.3 mm? -80.52 -9.7 59.76 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -14.99 47.02 Favored 'General case' 0 C--N 1.413 3.366 0 C-N-CA 127.051 2.14 . . . . 1.0 112.407 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -99.82 -28.88 12.91 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.42 1.488 . . . . 1.0 112.294 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.95 175.96 35.85 Favored Glycine 0 C--N 1.385 3.297 0 O-C-N 124.923 1.389 . . . . 1.0 113.681 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.576 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.6 p-10 -107.31 126.77 52.87 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 124.668 1.187 . . . . 1.0 110.047 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.425 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 54.6 m-85 -135.65 140.16 44.31 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.933 1.693 . . . . 1.0 110.069 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -77.23 161.74 71.85 Favored Pre-proline 0 N--CA 1.507 2.384 0 CA-C-O 115.783 -2.056 . . . . 1.0 112.288 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -50.32 -49.28 16.87 Favored 'Trans proline' 2 C--N 1.467 6.785 0 C-N-CA 123.657 2.904 . . . . 1.0 114.831 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.0 p -59.27 -34.02 71.75 Favored 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 125.159 1.383 . . . . 1.0 113.628 173.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 5.5 mt-10 -70.98 -35.29 72.07 Favored 'General case' 0 N--CA 1.53 3.574 0 C-N-CA 125.567 1.547 . . . . 1.0 111.265 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -9.58 47.66 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 125.575 1.797 . . . . 1.0 114.533 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.0 -33.9 10.63 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 127.23 2.212 . . . . 1.0 111.162 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.41 3.227 0 C-N-CA 126.6 1.96 . . . . 1.0 111.235 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.18 77.43 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.242 0 C-N-CA 127.253 2.221 . . . . 1.0 107.356 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 171.13 169.74 0.08 Allowed 'General case' 1 N--CA 1.544 4.254 0 C-N-CA 129.104 2.962 . . . . 1.0 111.963 -176.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 88.98 3.51 Favored 'General case' 0 C--N 1.4 2.761 0 C-N-CA 125.754 1.622 . . . . 1.0 107.835 175.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.4 mmt -115.17 139.65 49.74 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 113.59 -1.641 . . . . 1.0 112.722 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -99.92 -34.38 10.14 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 125.381 1.676 . . . . 1.0 112.988 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.13 61.17 0.31 Allowed Glycine 0 C--N 1.386 3.337 0 O-C-N 124.713 1.258 . . . . 1.0 113.87 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -112.74 -40.49 4.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 125.443 1.319 . . . . 1.0 113.052 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.6 118.47 0.46 Allowed Glycine 0 C--N 1.38 2.99 0 O-C-N 124.94 1.4 . . . . 1.0 110.744 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.91 -23.35 3.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 125.667 1.451 . . . . 1.0 113.926 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -71.94 -61.76 1.67 Allowed 'General case' 0 C--N 1.399 2.753 0 C-N-CA 125.87 1.668 . . . . 1.0 114.779 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 14.7 mttt -73.8 -33.17 64.09 Favored 'General case' 0 N--CA 1.52 3.068 0 C-N-CA 126.152 1.781 . . . . 1.0 114.442 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.5 -42.25 94.66 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.282 0 C-N-CA 125.85 1.66 . . . . 1.0 110.441 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.259 0.1 OUTLIER -69.75 -39.55 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.373 0 O-C-N 125.547 1.78 . . . . 1.0 112.39 177.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.454 ' HA ' HD13 ' A' ' 49' ' ' LEU . 18.6 mt -62.17 -39.64 93.33 Favored 'General case' 0 N--CA 1.517 2.918 0 C-N-CA 127.367 2.267 . . . . 1.0 113.059 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.12 -30.01 63.31 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 125.282 1.433 . . . . 1.0 111.582 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.42 -34.2 77.42 Favored 'General case' 0 N--CA 1.521 3.109 0 C-N-CA 125.617 1.567 . . . . 1.0 111.176 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 46' ' ' LEU . 7.7 mt -67.18 -34.6 77.87 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.972 1.709 . . . . 1.0 113.735 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.65 -36.85 85.18 Favored 'General case' 0 N--CA 1.523 3.194 0 C-N-CA 126.646 1.979 . . . . 1.0 112.434 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -44.5 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.79 0 C-N-CA 126.985 2.114 . . . . 1.0 111.949 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mt -65.78 -42.14 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.985 0 C-N-CA 125.583 1.553 . . . . 1.0 110.917 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -32.68 66.29 Favored 'General case' 0 N--CA 1.532 3.641 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -74.41 -36.06 63.46 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 125.319 1.448 . . . . 1.0 113.548 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -80.21 -39.0 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.486 0 O-C-N 124.721 1.263 . . . . 1.0 109.487 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.4 71.27 Favored 'General case' 0 C--N 1.413 3.354 0 N-CA-C 116.318 1.97 . . . . 1.0 116.318 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -34.06 22.57 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 124.859 1.264 . . . . 1.0 109.952 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -68.77 -29.87 68.35 Favored 'General case' 0 N--CA 1.535 3.786 0 O-C-N 126.228 2.205 . . . . 1.0 112.474 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.75 5.07 33.97 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 125.931 2.019 . . . . 1.0 112.45 175.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.17 35.54 91.68 Favored Glycine 0 C--N 1.397 3.966 0 C-N-CA 125.5 1.524 . . . . 1.0 116.301 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.611 ' HE1' ' HG2' ' A' ' 104' ' ' ARG . 31.3 mtt -120.23 143.22 48.4 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 126.696 1.998 . . . . 1.0 109.691 -176.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.02 124.51 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 124.656 1.222 . . . . 1.0 111.672 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.83 122.98 44.35 Favored 'General case' 0 C--N 1.376 1.736 0 O-C-N 125.623 1.827 . . . . 1.0 109.528 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.78 125.09 51.57 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 125.631 1.832 . . . . 1.0 109.748 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -105.05 127.36 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.684 -2.053 . . . . 1.0 107.3 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.99 130.62 72.22 Favored Pre-proline 0 CA--C 1.583 2.227 0 O-C-N 125.393 1.683 . . . . 1.0 110.772 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.78 123.53 11.8 Favored 'Trans proline' 1 C--N 1.453 6.066 0 C-N-CA 123.001 2.467 . . . . 1.0 116.472 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.39 139.18 58.55 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 112.936 -1.938 . . . . 1.0 109.844 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -138.29 147.22 43.38 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 113.271 0.841 . . . . 1.0 113.271 -172.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -91.01 117.69 29.78 Favored 'General case' 0 C--N 1.384 2.072 0 O-C-N 125.323 1.639 . . . . 1.0 107.154 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -88.19 -10.87 48.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.119 1.768 . . . . 1.0 114.931 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.27 -45.61 7.76 Favored 'General case' 0 C--N 1.38 1.895 0 C-N-CA 125.471 1.508 . . . . 1.0 113.454 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.46 -27.29 15.47 Favored 'General case' 0 C--N 1.386 2.19 0 O-C-N 125.081 1.488 . . . . 1.0 113.38 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.77 -20.98 43.97 Favored Glycine 0 C--N 1.378 2.886 0 O-C-N 125.146 1.529 . . . . 1.0 114.036 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.01 125.48 10.58 Favored 'General case' 0 C--N 1.402 2.85 0 C-N-CA 125.864 1.665 . . . . 1.0 113.886 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 3.2 t -100.61 120.66 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 125.707 1.88 . . . . 1.0 109.088 -177.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -103.9 147.6 27.14 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 126.957 2.66 . . . . 1.0 110.538 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.79 138.81 58.17 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 124.127 0.971 . . . . 1.0 113.174 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.18 109.8 0.59 Allowed 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.422 1.489 . . . . 1.0 112.74 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -118.74 170.49 8.94 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.708 -2.042 . . . . 1.0 113.157 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.72 -88.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 CA-C-N 112.864 -1.971 . . . . 1.0 106.491 178.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -57.04 144.91 32.43 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-O 117.573 -1.203 . . . . 1.0 110.717 173.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.59 131.54 22.84 Favored Pre-proline 0 N--CA 1.516 2.832 0 CA-C-O 117.521 -1.228 . . . . 1.0 110.561 -174.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -70.61 139.28 36.95 Favored 'Trans proline' 1 C--N 1.462 6.507 0 C-N-CA 123.416 2.744 . . . . 1.0 112.447 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 m -66.71 -32.45 73.76 Favored 'General case' 0 N--CA 1.522 3.164 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -151.14 121.24 7.19 Favored 'General case' 0 C--N 1.386 2.156 0 C-N-CA 126.01 1.724 . . . . 1.0 110.612 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 90' ' ' CYS . 64.2 m -61.97 154.68 67.36 Favored Pre-proline 0 CA--C 1.619 3.611 0 CA-C-O 115.075 -2.393 . . . . 1.0 110.905 172.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.87 -48.2 23.39 Favored 'Trans proline' 2 C--N 1.474 7.166 0 CA-C-N 125.402 2.965 . . . . 1.0 115.218 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -120.8 141.31 50.64 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.869 2.068 . . . . 1.0 105.835 172.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 87' ' ' CYS . 42.4 t 68.97 131.17 0.03 OUTLIER 'General case' 1 N--CA 1.545 4.305 0 C-N-CA 127.082 2.153 . . . . 1.0 109.371 -174.693 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -119.56 41.19 3.19 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 125.067 1.479 . . . . 1.0 112.83 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 125.6 24.51 Favored 'General case' 0 C--N 1.387 2.201 0 C-N-CA 125.879 1.672 . . . . 1.0 113.269 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -87.51 1.11 54.45 Favored 'General case' 0 CA--C 1.575 1.932 0 O-C-N 125.901 2.001 . . . . 1.0 112.167 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -107.71 90.42 3.29 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.013 1.725 . . . . 1.0 107.763 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.78 143.77 39.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.557 0 CA-C-N 111.63 -2.532 . . . . 1.0 106.457 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -84.96 129.08 34.86 Favored 'General case' 0 C--N 1.382 2.013 0 C-N-CA 124.935 1.294 . . . . 1.0 110.052 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 133.54 64.28 Favored Pre-proline 0 CA--C 1.574 1.892 0 O-C-N 124.567 1.167 . . . . 1.0 112.353 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.29 153.15 76.15 Favored 'Trans proline' 1 C--N 1.446 5.695 0 C-N-CA 124.025 3.15 . . . . 1.0 114.621 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -113.64 132.58 55.71 Favored 'General case' 0 C--N 1.385 2.113 0 C-N-CA 124.666 1.186 . . . . 1.0 109.531 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . 0.44 ' O ' HD12 ' A' ' 20' ' ' LEU . 97.8 m-85 -112.69 124.21 52.06 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 125.79 1.932 . . . . 1.0 109.236 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.576 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 4.8 mttt -134.71 148.67 50.35 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.222 1.409 . . . . 1.0 110.697 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.43 128.92 54.47 Favored 'General case' 0 C--O 1.263 1.793 0 C-N-CA 124.947 1.299 . . . . 1.0 109.888 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.71 129.6 55.36 Favored 'General case' 0 C--O 1.261 1.666 0 O-C-N 125.369 1.668 . . . . 1.0 110.667 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.611 ' HG2' ' HE1' ' A' ' 61' ' ' MET . 42.0 mtt180 -95.1 116.87 29.28 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 125.685 1.865 . . . . 1.0 112.057 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 2 N--CA 1.559 4.989 0 C-N-CA 126.987 2.115 . . . . 1.0 111.864 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.556 0 N-CA-C 110.247 -0.279 . . . . 1.0 110.247 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -111.43 161.94 15.59 Favored 'General case' 0 C--O 1.254 1.295 0 O-C-N 123.993 0.808 . . . . 1.0 111.059 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -69.75 -30.01 67.5 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.2 0.937 . . . . 1.0 112.754 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -109.02 119.04 38.37 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 125.637 1.836 . . . . 1.0 111.225 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -119.86 160.08 23.35 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 114.565 -1.198 . . . . 1.0 110.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -89.05 120.91 30.87 Favored 'General case' 0 C--O 1.259 1.593 0 O-C-N 123.881 0.738 . . . . 1.0 111.879 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -118.95 137.66 53.34 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.954 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.86 125.08 0.89 Allowed Glycine 0 CA--C 1.49 -1.499 0 O-C-N 124.968 1.418 . . . . 1.0 112.332 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -86.47 -29.47 22.76 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 125.035 1.079 . . . . 1.0 112.944 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.46 -27.17 37.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 124.727 1.267 . . . . 1.0 113.189 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -82.77 -34.65 27.02 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 124.517 1.136 . . . . 1.0 112.778 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -59.31 -36.98 76.62 Favored 'General case' 0 C--N 1.382 2.015 0 O-C-N 126.509 2.381 . . . . 1.0 112.183 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.479 ' HA ' HD12 ' A' ' 16' ' ' ILE . 56.3 mtt180 -70.95 -35.36 72.15 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 125.11 1.506 . . . . 1.0 112.124 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -65.98 -32.6 74.17 Favored 'General case' 0 C--N 1.37 1.476 0 O-C-N 125.816 1.948 . . . . 1.0 112.448 175.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.42 -29.27 66.96 Favored 'General case' 0 C--N 1.379 1.854 0 O-C-N 124.232 0.958 . . . . 1.0 112.982 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 5.5 mt -67.38 -45.9 84.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 O-C-N 124.443 1.089 . . . . 1.0 111.173 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -79.59 2.71 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 O-C-N 124.317 1.011 . . . . 1.0 113.285 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -109.15 -40.04 5.08 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 115.485 -0.78 . . . . 1.0 112.757 -175.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -20.01 24.37 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 124.823 1.327 . . . . 1.0 112.999 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.99 -9.31 58.18 Favored 'General case' 0 C--O 1.263 1.787 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -8.87 55.03 Favored 'General case' 0 C--N 1.39 2.338 0 C-N-CA 124.299 1.04 . . . . 1.0 112.358 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -104.33 -26.03 12.63 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.84 1.338 . . . . 1.0 113.361 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.15 -174.38 33.87 Favored Glycine 0 C--O 1.259 1.697 0 O-C-N 124.508 1.13 . . . . 1.0 112.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.72 132.22 54.38 Favored 'General case' 0 C--O 1.26 1.64 0 C-N-CA 122.601 0.36 . . . . 1.0 110.294 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.442 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 39.0 m-85 -140.05 142.59 36.16 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-N 115.304 -0.862 . . . . 1.0 109.9 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 160.33 77.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 CA-C-O 117.627 -1.177 . . . . 1.0 110.612 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -53.13 -43.23 58.82 Favored 'Trans proline' 0 C--N 1.414 3.993 0 C-N-CA 122.792 2.328 . . . . 1.0 115.348 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -63.57 -29.85 71.05 Favored 'General case' 0 C--N 1.39 2.328 0 O-C-N 124.613 1.196 . . . . 1.0 111.909 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.442 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 3.4 mt-10 -76.64 -37.21 56.68 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.469 1.73 . . . . 1.0 111.9 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.63 -3.49 12.08 Favored 'General case' 0 C--N 1.382 2.008 0 O-C-N 126.194 2.184 . . . . 1.0 111.76 171.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.96 -28.31 12.82 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 124.9 1.375 . . . . 1.0 111.71 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -64.68 -45.95 84.48 Favored 'General case' 0 C--N 1.384 2.076 0 O-C-N 124.622 1.201 . . . . 1.0 112.001 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.8 OUTLIER -79.86 77.34 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.92 0 C-N-CA 124.328 1.051 . . . . 1.0 109.779 174.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.597 HD21 ' HG2' ' A' ' 36' ' ' MET . 0.1 OUTLIER 167.77 -178.96 0.03 OUTLIER 'General case' 0 C--O 1.255 1.355 0 O-C-N 122.048 -0.407 . . . . 1.0 110.79 -175.454 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.82 45.46 1.84 Allowed 'General case' 0 C--O 1.257 1.462 0 O-C-N 125.089 1.493 . . . . 1.0 110.508 175.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.597 ' HG2' HD21 ' A' ' 34' ' ' LEU . 1.5 ptp -117.27 161.0 20.21 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.744 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -103.56 147.77 26.78 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 124.941 1.401 . . . . 1.0 109.341 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.81 -125.86 2.6 Favored Glycine 0 C--O 1.262 1.879 0 O-C-N 124.306 1.004 . . . . 1.0 111.805 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 56.81 67.8 0.94 Allowed 'General case' 0 N--CA 1.517 2.878 0 C-N-CA 124.916 1.287 . . . . 1.0 111.771 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.27 0.86 Allowed Glycine 0 C--N 1.351 1.369 0 CA-C-N 114.842 -1.072 . . . . 1.0 113.587 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.489 ' O ' HG12 ' A' ' 45' ' ' ILE . 15.3 p -118.75 -17.5 9.18 Favored 'General case' 0 C--O 1.247 0.945 0 O-C-N 125.235 1.197 . . . . 1.0 112.332 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.46 -42.0 96.2 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.4 1.063 . . . . 1.0 113.324 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -72.92 -28.11 62.26 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.341 1.651 . . . . 1.0 113.219 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 41' ' ' SER . 1.9 t -68.03 -42.73 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 125.018 1.449 . . . . 1.0 111.601 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 41' ' ' SER . 18.0 mm -74.06 -39.08 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 125.36 1.662 . . . . 1.0 112.284 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 81' ' ' ILE . 21.3 mt -64.2 -34.88 79.1 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 125.538 1.773 . . . . 1.0 112.44 179.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.73 -26.89 57.89 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 125.766 1.916 . . . . 1.0 111.312 173.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.396 2.591 0 O-C-N 124.64 1.213 . . . . 1.0 111.729 173.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.94 -32.68 74.1 Favored 'General case' 0 C--N 1.377 1.794 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.17 -36.19 82.79 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 126.72 2.512 . . . . 1.0 112.635 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 HG21 ' H ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -74.93 -44.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 124.86 1.264 . . . . 1.0 112.095 179.171 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.8 mt -72.64 -32.81 42.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 125.266 1.604 . . . . 1.0 111.713 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -64.31 -31.78 73.12 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.121 1.513 . . . . 1.0 112.795 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.02 -33.98 70.88 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 124.892 1.37 . . . . 1.0 112.935 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 2.6 mt -84.3 -39.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 125.024 1.453 . . . . 1.0 111.534 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -59.17 -26.6 64.91 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 125.878 1.986 . . . . 1.0 113.574 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -88.65 -35.7 16.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 125.908 2.005 . . . . 1.0 115.102 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.06 -20.11 63.24 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 114.128 -1.396 . . . . 1.0 111.792 167.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -105.14 11.26 33.38 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-N 114.012 -1.449 . . . . 1.0 112.903 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.35 -60.51 2.35 Favored Glycine 0 C--N 1.375 2.699 0 CA-C-O 118.661 -1.077 . . . . 1.0 115.294 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ALA . 20.5 mtm -39.54 115.76 0.54 Allowed 'General case' 0 C--N 1.391 2.383 0 O-C-N 127.526 2.545 . . . . 1.0 111.252 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.487 ' H ' HG21 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -102.56 134.92 42.06 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 CA-C-N 114.529 -1.214 . . . . 1.0 111.174 -171.161 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.619 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -93.76 126.93 39.21 Favored 'General case' 0 C--O 1.259 1.571 0 O-C-N 124.978 1.424 . . . . 1.0 110.395 177.262 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.76 128.67 47.99 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 124.237 0.96 . . . . 1.0 111.03 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.39 127.69 68.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 135.63 44.74 Favored Pre-proline 0 C--N 1.366 1.291 0 O-C-N 125.342 1.651 . . . . 1.0 110.591 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -68.43 124.89 12.13 Favored 'Trans proline' 0 C--N 1.404 3.452 0 C-N-CA 122.26 1.973 . . . . 1.0 116.073 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB1' ' HG3' ' A' ' 98' ' ' PRO . . . -69.72 141.09 53.54 Favored 'General case' 0 C--N 1.363 1.158 0 CA-C-N 111.116 -2.765 . . . . 1.0 110.004 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.77 158.12 44.63 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.318 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 93.1 m -89.33 125.34 35.08 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 125.21 1.569 . . . . 1.0 108.857 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -91.22 -4.33 56.12 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 113.886 1.069 . . . . 1.0 113.886 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -95.54 -49.15 5.53 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 113.367 0.877 . . . . 1.0 113.367 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.2 p -95.5 -20.75 18.78 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 125.384 1.677 . . . . 1.0 112.817 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.97 -18.33 57.71 Favored Glycine 0 C--N 1.374 2.69 0 O-C-N 125.026 1.454 . . . . 1.0 113.609 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.54 131.42 34.01 Favored 'General case' 0 C--N 1.395 2.584 0 O-C-N 125.63 1.429 . . . . 1.0 111.835 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.2 127.42 62.97 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 O-C-N 125.434 1.709 . . . . 1.0 110.147 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -96.21 149.68 21.38 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.589 1.806 . . . . 1.0 111.22 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.46 148.15 52.28 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 124.379 1.049 . . . . 1.0 110.55 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.25 110.38 2.2 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 124.499 1.124 . . . . 1.0 110.979 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 177.51 5.38 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 113.813 -1.54 . . . . 1.0 110.006 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.521 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -105.64 -82.37 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 CA-C-N 113.934 -1.484 . . . . 1.0 109.755 -179.089 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -64.66 146.82 54.15 Favored 'General case' 0 C--O 1.27 2.177 0 O-C-N 124.592 1.183 . . . . 1.0 108.978 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mt -112.41 137.3 21.54 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.352 1.033 . . . . 1.0 110.504 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -73.27 152.43 50.05 Favored 'Trans proline' 0 C--N 1.411 3.822 0 C-N-CA 121.855 1.703 . . . . 1.0 114.245 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.5 m -84.2 -20.28 32.6 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 114.291 -1.322 . . . . 1.0 112.335 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -143.73 144.25 31.76 Favored 'General case' 0 C--O 1.261 1.679 0 O-C-N 124.286 0.991 . . . . 1.0 110.788 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 90' ' ' CYS . 10.9 t -77.45 141.15 65.31 Favored Pre-proline 0 C--O 1.255 1.351 0 O-C-N 124.332 1.02 . . . . 1.0 110.26 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -69.74 -14.91 36.81 Favored 'Trans proline' 0 C--N 1.405 3.526 0 C-N-CA 122.028 1.818 . . . . 1.0 115.461 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -69.26 0.74 Allowed 'General case' 0 C--N 1.364 1.219 0 O-C-N 124.715 1.259 . . . . 1.0 110.56 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 87' ' ' CYS . 6.9 p -118.58 -170.2 1.85 Allowed 'General case' 0 C--O 1.257 1.49 0 O-C-N 124.101 0.876 . . . . 1.0 110.329 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -102.73 24.55 10.4 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 114.999 -1.0 . . . . 1.0 111.824 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 112.9 4.79 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.348 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.51 12.0 24.44 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 113.813 -1.54 . . . . 1.0 113.803 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.76 88.04 6.52 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-O 121.98 0.895 . . . . 1.0 112.294 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.2 138.52 45.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 CA-C-N 114.134 -1.394 . . . . 1.0 109.427 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.82 132.96 37.71 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 125.582 1.801 . . . . 1.0 109.224 174.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.65 142.31 57.17 Favored Pre-proline 0 C--N 1.365 1.254 0 O-C-N 123.654 0.596 . . . . 1.0 112.041 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.417 ' HG3' ' HB1' ' A' ' 68' ' ' ALA . 38.7 Cg_exo -71.28 163.28 39.66 Favored 'Trans proline' 0 C--N 1.411 3.831 0 C-N-CA 121.895 1.73 . . . . 1.0 115.206 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -110.51 133.86 52.9 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 114.032 -1.44 . . . . 1.0 109.937 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -116.59 126.48 53.33 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 124.946 1.404 . . . . 1.0 110.18 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -140.24 156.77 46.35 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 124.595 1.184 . . . . 1.0 111.122 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.619 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -122.15 131.17 53.82 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 124.226 0.953 . . . . 1.0 110.001 177.817 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.83 141.09 51.59 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 124.456 1.097 . . . . 1.0 110.38 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -94.41 117.65 30.43 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.149 1.531 . . . . 1.0 111.486 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 5.015 0 C-N-CA 126.937 2.095 . . . . 1.0 111.95 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.509 2.484 0 N-CA-C 113.819 1.044 . . . . 1.0 113.819 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.91 -36.91 59.27 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 126.036 1.734 . . . . 1.0 114.395 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -79.44 -43.85 22.5 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.559 1.543 . . . . 1.0 112.443 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -38.82 56.03 Favored 'General case' 0 N--CA 1.532 3.632 0 O-C-N 124.914 1.384 . . . . 1.0 113.334 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 16' ' ' ILE . 3.9 mtp180 -71.4 -38.23 71.48 Favored 'General case' 0 C--N 1.41 3.239 0 C-N-CA 125.623 1.569 . . . . 1.0 111.628 174.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.0 -32.55 73.03 Favored 'General case' 0 N--CA 1.517 2.92 0 O-C-N 125.342 1.651 . . . . 1.0 111.768 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -72.05 -35.57 69.37 Favored 'General case' 0 C--N 1.402 2.849 0 C-N-CA 127.307 2.243 . . . . 1.0 113.592 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.4 mt -59.55 -48.92 85.58 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.237 0 C-N-CA 126.255 1.822 . . . . 1.0 109.076 175.572 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -4.2 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.099 0 C-N-CA 126.797 2.039 . . . . 1.0 114.09 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -96.81 -42.26 8.05 Favored 'General case' 0 C--N 1.402 2.859 0 C-N-CA 125.603 1.561 . . . . 1.0 111.859 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.35 -35.62 23.1 Favored 'General case' 0 C--N 1.404 2.96 0 C-N-CA 125.223 1.409 . . . . 1.0 113.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 30' ' ' LEU . 23.6 mt -70.94 -11.13 60.79 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.89 1.811 . . . . 1.0 115.89 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.47 -22.94 23.4 Favored 'General case' 0 C--N 1.421 3.688 0 C-N-CA 127.82 2.448 . . . . 1.0 113.054 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.05 -28.43 15.11 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.618 1.567 . . . . 1.0 112.34 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.61 -169.39 17.84 Favored Glycine 0 C--N 1.385 3.304 0 O-C-N 124.91 1.382 . . . . 1.0 113.4 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.583 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.8 p-10 -122.57 127.82 49.94 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.079 1.351 . . . . 1.0 109.075 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 44.1 m-85 -136.71 140.98 43.05 Favored 'General case' 0 C--O 1.258 1.548 0 C-N-CA 125.909 1.684 . . . . 1.0 109.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -75.1 158.81 83.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 CA-C-O 115.502 -2.189 . . . . 1.0 111.594 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.01 -47.74 22.46 Favored 'Trans proline' 1 C--N 1.465 6.664 0 C-N-CA 123.242 2.628 . . . . 1.0 115.043 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 m -60.95 -33.88 73.87 Favored 'General case' 0 C--N 1.396 2.609 0 C-N-CA 125.612 1.565 . . . . 1.0 113.997 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -71.81 -34.61 69.5 Favored 'General case' 0 N--CA 1.527 3.388 0 C-N-CA 126.221 1.808 . . . . 1.0 111.55 176.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -69.2 -3.77 14.97 Favored 'General case' 0 N--CA 1.524 3.244 0 O-C-N 125.219 1.574 . . . . 1.0 114.681 171.33 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.02 -29.33 10.97 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 127.048 2.139 . . . . 1.0 112.469 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -42.84 80.86 Favored 'General case' 0 C--N 1.408 3.112 0 C-N-CA 125.007 1.323 . . . . 1.0 112.561 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.08 76.92 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.608 3.205 0 C-N-CA 126.478 1.911 . . . . 1.0 108.054 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.578 0 C-N-CA 129.942 3.297 . . . . 1.0 110.662 -175.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.663 -1.161 . . . . 1.0 113.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -71.7 -54.17 11.15 Favored 'General case' 0 N--CA 1.516 2.858 0 C-N-CA 126.293 1.837 . . . . 1.0 114.65 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -72.34 -33.93 67.67 Favored 'General case' 0 N--CA 1.522 3.169 0 C-N-CA 125.519 1.528 . . . . 1.0 114.103 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.49 -46.28 83.63 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.015 0 O-C-N 125.217 1.573 . . . . 1.0 110.473 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.273 0.1 OUTLIER -70.13 -37.77 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.723 0 O-C-N 125.61 1.819 . . . . 1.0 112.277 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.93 -35.22 79.49 Favored 'General case' 0 C--N 1.397 2.653 0 C-N-CA 127.196 2.199 . . . . 1.0 114.639 177.245 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.25 -29.47 57.49 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.018 1.327 . . . . 1.0 110.788 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 52' ' ' ILE . 7.7 m-20 -65.43 -34.49 78.41 Favored 'General case' 0 C--N 1.408 3.132 0 C-N-CA 126.174 1.79 . . . . 1.0 111.454 171.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 46' ' ' LEU . 5.5 mt -66.22 -35.89 81.6 Favored 'General case' 0 C--N 1.408 3.12 0 C-N-CA 126.2 1.8 . . . . 1.0 113.24 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.86 -36.65 84.63 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 126.441 1.896 . . . . 1.0 112.062 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.582 HG11 HH21 ' A' ' 13' ' ' ARG . 1.4 t -76.41 -41.0 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.081 0 C-N-CA 126.615 1.966 . . . . 1.0 109.652 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 48' ' ' ASP . 2.8 mt -67.61 -44.67 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 125.825 1.65 . . . . 1.0 111.481 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.1 m -56.51 -30.93 63.6 Favored 'General case' 0 N--CA 1.537 3.913 0 N-CA-C 115.873 1.805 . . . . 1.0 115.873 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -77.54 -36.84 51.92 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 125.765 1.626 . . . . 1.0 113.985 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.24 -36.31 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 0 C-N-CA 125.332 1.453 . . . . 1.0 113.373 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.54 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.45 -32.05 72.01 Favored 'General case' 0 C--N 1.408 3.118 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -82.82 -27.82 30.61 Favored 'General case' 0 N--CA 1.526 3.367 0 O-C-N 124.832 1.333 . . . . 1.0 111.225 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -75.03 -29.69 60.86 Favored 'General case' 0 N--CA 1.522 3.143 0 O-C-N 125.941 2.025 . . . . 1.0 113.033 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 12.4 pt-20 -87.45 6.53 33.53 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 125.37 1.669 . . . . 1.0 111.938 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.34 31.15 76.33 Favored Glycine 0 C--N 1.387 3.412 0 CA-C-O 118.03 -1.428 . . . . 1.0 115.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.51 144.03 44.02 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.703 2.001 . . . . 1.0 110.122 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.28 126.98 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 124.457 1.098 . . . . 1.0 111.608 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.575 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -98.36 123.88 42.72 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 125.461 1.725 . . . . 1.0 109.754 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.74 122.26 45.71 Favored 'General case' 0 C--O 1.26 1.657 0 O-C-N 125.42 1.7 . . . . 1.0 109.615 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -111.47 126.49 68.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 O-C-N 125.961 2.038 . . . . 1.0 106.763 -179.304 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -82.02 130.68 59.36 Favored Pre-proline 0 CA--C 1.578 2.023 0 O-C-N 125.429 1.706 . . . . 1.0 109.966 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.81 125.86 16.92 Favored 'Trans proline' 1 C--N 1.453 6.027 0 C-N-CA 122.958 2.439 . . . . 1.0 115.742 -175.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 140.68 58.21 Favored 'General case' 0 N--CA 1.51 2.575 0 CA-C-N 113.387 -1.733 . . . . 1.0 109.593 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -139.1 152.6 47.63 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.574 0.953 . . . . 1.0 113.574 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.4 t -86.82 116.22 24.76 Favored 'General case' 0 C--N 1.385 2.11 0 O-C-N 125.417 1.698 . . . . 1.0 106.867 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -83.26 -11.65 57.56 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 127.227 2.211 . . . . 1.0 115.092 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -90.83 -45.19 8.95 Favored 'General case' 0 C--N 1.381 1.945 0 C-N-CA 125.515 1.526 . . . . 1.0 113.499 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.75 -20.16 17.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 125.476 1.735 . . . . 1.0 114.48 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.25 -18.86 56.57 Favored Glycine 0 C--N 1.388 3.454 0 O-C-N 124.27 0.981 . . . . 1.0 113.471 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.3 131.91 33.49 Favored 'General case' 0 C--N 1.409 3.194 0 O-C-N 125.562 1.39 . . . . 1.0 112.016 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.98 124.94 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 126.021 2.076 . . . . 1.0 110.006 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -99.24 146.93 25.68 Favored 'General case' 0 C--N 1.37 1.468 0 O-C-N 126.032 2.082 . . . . 1.0 111.256 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -64.92 140.74 58.9 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.287 1.035 . . . . 1.0 112.595 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.83 119.91 5.15 Favored 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 125.61 1.564 . . . . 1.0 112.034 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -127.07 163.71 23.16 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 125.024 1.453 . . . . 1.0 112.143 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.603 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -99.96 -87.18 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.578 0 CA-C-N 112.131 -2.304 . . . . 1.0 106.63 178.837 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.603 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.5 t30 -59.23 139.51 56.88 Favored 'General case' 0 N--CA 1.522 3.158 0 O-C-N 124.3 1.0 . . . . 1.0 110.398 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -95.97 132.21 27.48 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-O 116.621 -1.656 . . . . 1.0 114.885 -172.061 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.51 144.02 31.62 Favored 'Trans proline' 1 C--N 1.455 6.15 0 C-N-CA 122.917 2.411 . . . . 1.0 112.18 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 m -80.36 -20.62 43.71 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 124.162 0.914 . . . . 1.0 113.107 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -145.51 148.64 33.44 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 127.346 2.259 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.607 3.15 0 CA-C-O 116.843 -1.551 . . . . 1.0 112.912 177.188 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 CA--C 1.574 1.892 0 CA-C-O 120.972 0.415 . . . . 1.0 111.936 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -98.09 86.35 3.68 Favored 'General case' 0 C--N 1.393 2.468 0 C-N-CA 125.992 1.717 . . . . 1.0 109.843 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.82 134.27 64.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 111.479 -2.601 . . . . 1.0 106.609 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.59 132.1 33.99 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 125.449 1.718 . . . . 1.0 108.629 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.13 132.28 82.55 Favored Pre-proline 0 C--N 1.382 2.011 0 CA-C-O 117.304 -1.331 . . . . 1.0 113.931 -176.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.81 155.73 47.44 Favored 'Trans proline' 1 C--N 1.46 6.418 0 C-N-CA 123.223 2.615 . . . . 1.0 114.375 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 87.8 mtt180 -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 124.584 1.178 . . . . 1.0 109.138 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -108.69 125.11 51.53 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 125.287 1.617 . . . . 1.0 110.175 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.583 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 19.9 mttt -138.27 149.3 45.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 125.183 1.552 . . . . 1.0 111.252 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.575 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -116.74 126.33 52.97 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 124.869 1.355 . . . . 1.0 109.355 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.36 131.13 55.64 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.127 1.517 . . . . 1.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -98.15 116.25 29.99 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 126.026 2.079 . . . . 1.0 111.953 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.1 mttt . . . . . 3 N--CA 1.588 6.446 0 C-N-CA 128.414 2.686 . . . . 1.0 112.4 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 114.642 1.349 . . . . 1.0 114.642 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.61 -33.02 47.74 Favored 'General case' 0 C--N 1.376 1.75 0 O-C-N 124.884 1.365 . . . . 1.0 114.27 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -84.26 -26.32 28.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.86 -43.68 95.37 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 126.682 2.489 . . . . 1.0 114.417 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HA ' HD12 ' A' ' 16' ' ' ILE . 72.7 mtt180 -69.45 -38.75 77.92 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-N 113.931 -1.486 . . . . 1.0 114.063 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.09 -36.57 83.54 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 127.105 2.753 . . . . 1.0 112.113 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -67.6 -31.38 71.39 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 124.56 1.162 . . . . 1.0 113.428 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 13' ' ' ARG . 7.0 mt -65.23 -48.43 83.56 Favored 'Isoleucine or valine' 0 C--N 1.378 1.816 0 O-C-N 124.493 1.12 . . . . 1.0 111.574 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -76.54 -0.93 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.039 0 O-C-N 125.269 1.606 . . . . 1.0 114.08 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -98.25 -45.8 6.06 Favored 'General case' 0 C--N 1.39 2.326 0 CA-C-N 113.872 -1.513 . . . . 1.0 114.065 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -28.13 22.95 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 125.022 1.451 . . . . 1.0 113.627 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.1 -11.01 60.39 Favored 'General case' 0 C--N 1.399 2.729 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 -178.662 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -13.59 41.89 Favored 'General case' 0 C--N 1.424 3.836 0 C-N-CA 124.641 1.176 . . . . 1.0 112.029 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -101.1 -26.35 13.72 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 124.315 1.009 . . . . 1.0 113.366 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.86 -165.45 19.97 Favored Glycine 0 CA--C 1.482 -1.995 0 O-C-N 125.038 1.461 . . . . 1.0 112.244 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.87 134.64 55.03 Favored 'General case' 0 C--O 1.267 2.012 0 CA-C-O 121.449 0.642 . . . . 1.0 109.481 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 24.4 m-85 -142.3 144.27 33.17 Favored 'General case' 0 CA--C 1.469 -2.147 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.47 155.31 85.69 Favored Pre-proline 0 C--O 1.262 1.728 0 O-C-N 124.42 1.075 . . . . 1.0 110.246 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.6 ' HB3' ' HB ' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -53.48 -39.36 82.46 Favored 'Trans proline' 1 C--N 1.428 4.743 0 C-N-CA 122.934 2.423 . . . . 1.0 115.328 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.1 m -68.42 -28.47 67.1 Favored 'General case' 0 C--N 1.392 2.442 0 O-C-N 124.188 0.93 . . . . 1.0 113.147 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 19.7 mt-10 -74.89 -36.49 62.25 Favored 'General case' 0 C--N 1.396 2.614 0 O-C-N 125.229 1.581 . . . . 1.0 113.158 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -66.36 -64.01 0.95 Allowed 'General case' 0 C--N 1.368 1.404 0 O-C-N 127.721 3.138 . . . . 1.0 108.804 178.501 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -50.54 -20.29 1.13 Allowed 'General case' 0 C--N 1.389 2.317 0 C-N-CA 125.174 1.389 . . . . 1.0 114.03 174.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -73.04 -44.61 60.56 Favored 'General case' 0 C--N 1.427 3.954 0 C-N-CA 124.939 1.296 . . . . 1.0 111.785 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.1 tt -83.33 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.238 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.291 -1.937 0 CA-C-O 121.138 0.494 . . . . 1.0 110.874 -174.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 45' ' ' ILE . 12.2 p . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 95.9 mttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.752 1.221 . . . . 1.0 114.139 -177.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -71.22 -30.26 66.14 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 126.313 2.258 . . . . 1.0 112.804 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.53 -45.99 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 113.704 -1.589 . . . . 1.0 110.866 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.6 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 17.2 mm -74.05 -32.56 33.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 O-C-N 126.06 2.1 . . . . 1.0 112.366 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -65.95 -39.77 90.75 Favored 'General case' 0 CA--C 1.563 1.479 0 O-C-N 125.781 1.926 . . . . 1.0 112.49 178.209 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 14.7 mt-10 -76.95 -27.43 54.8 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 126.513 2.383 . . . . 1.0 111.732 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -64.56 -31.34 72.52 Favored 'General case' 0 C--N 1.401 2.808 0 O-C-N 124.908 1.38 . . . . 1.0 111.672 174.314 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -33.29 75.4 Favored 'General case' 0 C--N 1.385 2.145 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 95.6 mttt -63.06 -39.44 94.73 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 126.655 2.472 . . . . 1.0 113.423 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -79.6 -38.56 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.627 1.571 . . . . 1.0 112.972 178.273 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.7 -38.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 O-C-N 125.116 1.51 . . . . 1.0 112.763 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -60.69 -29.81 69.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.865 2.603 . . . . 1.0 114.157 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -73.61 -34.34 65.0 Favored 'General case' 0 C--N 1.39 2.358 0 O-C-N 124.572 1.17 . . . . 1.0 113.502 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt -85.31 -41.03 15.31 Favored 'Isoleucine or valine' 0 C--N 1.362 1.121 0 O-C-N 125.076 1.485 . . . . 1.0 111.242 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.91 63.59 Favored 'General case' 0 C--N 1.391 2.408 0 O-C-N 125.859 1.975 . . . . 1.0 114.455 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.27 -33.88 19.11 Favored 'General case' 0 C--N 1.399 2.729 0 O-C-N 126.31 2.256 . . . . 1.0 113.474 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.15 -19.08 60.68 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 128.207 3.442 . . . . 1.0 110.164 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.96 4.88 46.6 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 113.764 -1.562 . . . . 1.0 112.805 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.28 29.2 74.35 Favored Glycine 0 C--N 1.392 3.645 0 CA-C-N 115.014 -0.994 . . . . 1.0 114.758 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.9 mtm -113.51 149.94 33.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.595 0.758 . . . . 1.0 109.54 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.39 125.52 72.66 Favored 'Isoleucine or valine' 0 C--O 1.258 1.547 0 CA-C-N 114.846 -1.07 . . . . 1.0 111.18 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.1 126.62 46.36 Favored 'General case' 0 C--O 1.264 1.856 0 O-C-N 125.404 1.69 . . . . 1.0 110.009 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 128.96 54.87 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 124.735 1.272 . . . . 1.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.93 130.65 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 124.741 1.275 . . . . 1.0 107.891 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.99 134.99 55.56 Favored Pre-proline 0 C--N 1.378 1.811 0 O-C-N 125.513 1.758 . . . . 1.0 110.857 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.47 125.09 12.85 Favored 'Trans proline' 0 C--N 1.41 3.78 0 N-CA-C 117.338 2.015 . . . . 1.0 117.338 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 139.11 58.28 Favored 'General case' 0 C--O 1.272 2.267 0 CA-C-N 110.972 -2.831 . . . . 1.0 109.35 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.645 ' HG3' HG13 ' A' ' 76' ' ' VAL . 2.1 tt0 -136.48 150.08 48.51 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.784 -173.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.7 m -86.93 119.13 26.81 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.799 -1.926 . . . . 1.0 105.799 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -90.45 -1.85 57.92 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -97.61 -46.82 5.87 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.704 1.002 . . . . 1.0 113.704 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.01 -21.39 18.03 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 125.223 1.577 . . . . 1.0 113.47 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.46 -18.71 57.0 Favored Glycine 0 C--N 1.382 3.105 0 O-C-N 124.651 1.219 . . . . 1.0 113.627 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -53.17 134.25 38.98 Favored 'General case' 0 C--N 1.401 2.828 0 O-C-N 125.558 1.387 . . . . 1.0 112.495 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 69' ' ' GLN . 15.5 t -104.47 128.5 57.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 125.952 2.032 . . . . 1.0 109.496 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -99.48 148.75 23.92 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.453 1.721 . . . . 1.0 111.492 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -64.12 149.31 47.94 Favored 'General case' 0 C--O 1.277 2.517 0 O-C-N 125.073 1.483 . . . . 1.0 110.071 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 127.73 32.97 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 124.554 1.159 . . . . 1.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.56 167.77 21.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 114.285 -1.325 . . . . 1.0 111.091 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.446 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -103.59 -80.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.732 0 O-C-N 125.614 1.821 . . . . 1.0 109.55 179.421 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.4 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.4 m120 -61.31 144.1 54.52 Favored 'General case' 0 C--O 1.277 2.506 0 O-C-N 125.456 1.723 . . . . 1.0 107.141 174.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mt -104.47 135.4 19.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 124.674 1.234 . . . . 1.0 110.138 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -74.37 152.16 43.78 Favored 'Trans proline' 1 C--N 1.417 4.137 0 C-N-CA 122.131 1.887 . . . . 1.0 114.339 172.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.9 m -88.2 -24.73 23.2 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 125.361 1.663 . . . . 1.0 112.209 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -143.61 143.41 31.47 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 124.122 0.889 . . . . 1.0 110.322 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.388 2.262 0 CA-C-O 118.066 -0.969 . . . . 1.0 111.185 175.282 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 CA--C 1.593 2.631 0 CA-C-O 119.386 -0.34 . . . . 1.0 111.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.98 91.94 3.95 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 126.244 2.215 . . . . 1.0 110.344 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.79 150.48 29.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 CA-C-N 114.672 -1.149 . . . . 1.0 110.103 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.08 132.4 34.8 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 125.049 1.468 . . . . 1.0 110.484 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.72 141.13 51.41 Favored Pre-proline 0 C--N 1.37 1.467 0 O-C-N 125.07 1.481 . . . . 1.0 111.324 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.22 157.61 48.85 Favored 'Trans proline' 1 C--N 1.417 4.159 0 C-N-CA 122.203 1.935 . . . . 1.0 115.477 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -107.93 136.79 47.05 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 125.778 1.924 . . . . 1.0 110.171 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -116.22 125.71 52.62 Favored 'General case' 0 CA--C 1.485 -1.556 0 O-C-N 125.096 1.498 . . . . 1.0 110.724 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -141.32 157.28 45.41 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 124.323 1.014 . . . . 1.0 110.533 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.45 129.89 55.64 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 124.068 0.855 . . . . 1.0 110.006 178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.79 134.5 55.1 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.726 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -75.63 142.85 42.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 114.633 -1.167 . . . . 1.0 109.977 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 2 N--CA 1.564 5.243 0 C-N-CA 126.501 1.92 . . . . 1.0 110.491 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 114.455 1.28 . . . . 1.0 114.455 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.69 71.04 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 p -84.25 -38.18 20.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 124.85 1.344 . . . . 1.0 113.591 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.58 -40.94 98.24 Favored 'General case' 0 C--N 1.396 2.599 0 O-C-N 126.258 2.224 . . . . 1.0 113.493 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 16' ' ' ILE . 83.5 mtt180 -70.86 -39.19 73.04 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.778 -1.555 . . . . 1.0 113.236 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.5 mt-10 -65.94 -34.33 77.87 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 126.787 2.554 . . . . 1.0 112.244 175.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.274 0.984 . . . . 1.0 113.329 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 13' ' ' ARG . 7.7 mt -65.49 -45.53 92.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 0 O-C-N 124.502 1.126 . . . . 1.0 111.716 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -78.4 3.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 O-C-N 125.026 1.454 . . . . 1.0 113.792 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.47 -44.05 6.32 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.25 -1.341 . . . . 1.0 113.379 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.64 -31.59 21.02 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 124.839 1.337 . . . . 1.0 112.77 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.69 -11.43 60.84 Favored 'General case' 0 C--N 1.401 2.83 0 O-C-N 124.629 1.206 . . . . 1.0 113.816 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -15.16 31.54 Favored 'General case' 0 C--N 1.417 3.529 0 C-N-CA 124.481 1.112 . . . . 1.0 111.908 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.55 -26.83 13.09 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 124.452 1.095 . . . . 1.0 113.002 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -155.56 -166.61 15.9 Favored Glycine 0 CA--C 1.484 -1.882 0 O-C-N 125.069 1.481 . . . . 1.0 111.772 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.591 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -125.85 132.55 52.18 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 122.916 0.486 . . . . 1.0 109.872 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.28 145.79 41.7 Favored 'General case' 0 CA--C 1.471 -2.06 0 O-C-N 124.186 0.929 . . . . 1.0 110.009 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -78.5 158.2 76.52 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 124.562 1.164 . . . . 1.0 109.983 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -50.11 -46.57 27.7 Favored 'Trans proline' 1 C--N 1.424 4.506 0 C-N-CA 123.462 2.775 . . . . 1.0 115.906 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 m -62.11 -32.7 73.3 Favored 'General case' 0 C--N 1.396 2.607 0 O-C-N 125.235 1.584 . . . . 1.0 113.001 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -35.92 66.39 Favored 'General case' 0 C--N 1.404 2.952 0 O-C-N 125.209 1.568 . . . . 1.0 113.188 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD21 HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -72.15 0.76 8.85 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 125.419 1.699 . . . . 1.0 111.958 173.659 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.38 -26.14 12.56 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-N 113.681 -1.599 . . . . 1.0 110.621 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -65.09 -42.4 94.11 Favored 'General case' 0 C--N 1.391 2.411 0 O-C-N 124.309 1.006 . . . . 1.0 111.646 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -84.73 86.21 2.25 Favored 'Isoleucine or valine' 0 C--O 1.285 2.929 0 C-N-CA 124.406 1.082 . . . . 1.0 109.373 174.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.291 -1.947 0 CA-C-O 121.271 0.558 . . . . 1.0 111.007 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 112.779 0.659 . . . . 1.0 112.779 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.24 -49.94 51.65 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 113.982 1.104 . . . . 1.0 113.982 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -74.29 -31.63 62.58 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 125.54 1.775 . . . . 1.0 113.12 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.53 -44.92 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 125.274 1.609 . . . . 1.0 111.586 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -24.72 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.196 0 O-C-N 126.481 2.363 . . . . 1.0 112.892 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -73.2 -35.56 66.37 Favored 'General case' 0 N--CA 1.425 -1.684 0 O-C-N 127.029 2.706 . . . . 1.0 114.684 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -78.13 -27.66 48.31 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 127.139 2.774 . . . . 1.0 111.443 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -65.75 -30.61 71.3 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 124.758 1.286 . . . . 1.0 112.309 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 46' ' ' LEU . 2.9 mt -67.04 -33.8 76.31 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.658 -1.155 . . . . 1.0 112.694 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.11 -36.39 83.42 Favored 'General case' 0 C--N 1.377 1.766 0 O-C-N 125.589 1.805 . . . . 1.0 113.126 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -42.74 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.884 1.274 . . . . 1.0 112.132 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.711 ' HA ' HD12 ' A' ' 55' ' ' ILE . 2.1 mt -68.72 -37.4 77.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 O-C-N 125.935 2.022 . . . . 1.0 112.456 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.9 -28.48 67.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 126.52 2.388 . . . . 1.0 113.856 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -74.25 -34.31 63.58 Favored 'General case' 0 C--N 1.388 2.255 0 O-C-N 124.319 1.012 . . . . 1.0 113.544 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.93 -39.86 13.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 125.131 1.52 . . . . 1.0 111.816 -178.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.49 66.36 Favored 'General case' 0 C--N 1.391 2.38 0 O-C-N 125.375 1.672 . . . . 1.0 114.468 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.41 -32.16 16.55 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 126.683 2.489 . . . . 1.0 112.594 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -74.67 -18.72 60.49 Favored 'General case' 0 N--CA 1.517 2.909 0 O-C-N 127.902 3.251 . . . . 1.0 110.125 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.27 5.24 42.73 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 113.79 -1.55 . . . . 1.0 112.67 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.74 73.3 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 114.926 -1.034 . . . . 1.0 114.588 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -116.09 148.71 39.97 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 123.348 0.659 . . . . 1.0 109.377 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.94 129.38 68.69 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-N 114.92 -1.036 . . . . 1.0 111.038 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.67 127.45 45.78 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 125.248 1.593 . . . . 1.0 110.169 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.5 129.95 56.44 Favored 'General case' 0 C--O 1.261 1.684 0 O-C-N 124.523 1.139 . . . . 1.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.79 135.25 52.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.114 0 CA-C-N 114.95 -1.023 . . . . 1.0 108.251 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 135.14 53.71 Favored Pre-proline 0 C--N 1.379 1.867 0 O-C-N 125.25 1.594 . . . . 1.0 110.799 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -68.24 119.81 6.8 Favored 'Trans proline' 0 C--N 1.411 3.867 0 N-CA-C 117.27 1.988 . . . . 1.0 117.27 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . . . -70.4 142.16 52.09 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.102 -2.772 . . . . 1.0 109.552 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.71 158.65 43.67 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.568 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.03 122.02 28.65 Favored 'General case' 0 C--O 1.271 2.213 0 O-C-N 125.919 2.012 . . . . 1.0 107.36 172.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -86.08 -5.23 59.25 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 114.273 1.212 . . . . 1.0 114.273 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -93.71 -46.35 7.28 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 114.158 1.17 . . . . 1.0 114.158 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.4 p -98.35 -18.11 18.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.194 1.559 . . . . 1.0 113.613 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.44 -16.35 60.86 Favored Glycine 0 C--N 1.381 3.037 0 O-C-N 124.156 0.91 . . . . 1.0 113.739 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.99 134.72 37.81 Favored 'General case' 0 C--N 1.399 2.739 0 O-C-N 125.38 1.282 . . . . 1.0 111.779 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.04 127.42 66.95 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 O-C-N 125.18 1.55 . . . . 1.0 110.821 -175.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -101.22 149.76 23.67 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 125.235 1.585 . . . . 1.0 111.735 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.34 154.98 36.75 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 125.165 1.541 . . . . 1.0 110.063 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.21 129.02 38.5 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.927 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.93 163.56 28.89 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.289 -1.323 . . . . 1.0 111.026 -172.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -104.27 -81.1 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.612 0 O-C-N 124.719 1.262 . . . . 1.0 108.707 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.473 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.4 m120 -62.2 138.94 58.49 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.186 -1.783 . . . . 1.0 106.186 172.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.05 147.21 33.04 Favored Pre-proline 0 CA--C 1.569 1.676 0 O-C-N 124.615 1.197 . . . . 1.0 113.172 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -80.31 158.16 22.89 Favored 'Trans proline' 0 C--N 1.397 3.107 0 C-N-CA 121.737 1.625 . . . . 1.0 114.96 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -98.54 -26.55 14.38 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 125.468 1.73 . . . . 1.0 111.613 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -143.7 144.45 31.86 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 124.186 0.929 . . . . 1.0 110.149 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.38 1.933 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.534 176.323 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 . . . . . 0 CA--C 1.582 2.208 0 N-CA-C 112.376 0.51 . . . . 1.0 112.376 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.55 92.72 4.31 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 125.798 1.936 . . . . 1.0 111.218 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 149.05 29.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.44 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.624 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 132.79 33.9 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 124.226 0.954 . . . . 1.0 110.495 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 140.07 49.89 Favored Pre-proline 0 C--O 1.255 1.385 0 O-C-N 124.717 1.261 . . . . 1.0 111.279 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 51.9 Cg_endo -64.64 158.12 51.88 Favored 'Trans proline' 1 C--N 1.416 4.097 0 C-N-CA 121.805 1.67 . . . . 1.0 115.528 178.585 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -109.52 141.46 41.96 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 113.476 -1.693 . . . . 1.0 109.943 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.51 129.89 56.19 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.444 1.715 . . . . 1.0 111.313 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -139.67 152.86 47.07 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.482 1.114 . . . . 1.0 110.668 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.12 125.14 53.62 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 124.374 1.046 . . . . 1.0 109.186 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.85 140.16 52.74 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.979 -1.009 . . . . 1.0 110.251 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -84.76 152.37 23.73 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.759 1.287 . . . . 1.0 110.105 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 tttt . . . . . 2 N--CA 1.56 5.056 0 C-N-CA 126.54 1.936 . . . . 1.0 110.864 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 113.698 0.999 . . . . 1.0 113.698 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.53 54.15 Favored 'General case' 0 C--N 1.381 1.971 0 O-C-N 124.554 1.159 . . . . 1.0 113.807 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -80.84 -35.43 32.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.393 1.058 . . . . 1.0 113.251 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -60.92 -38.65 86.51 Favored 'General case' 0 C--N 1.402 2.859 0 O-C-N 126.871 2.607 . . . . 1.0 112.728 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.578 ' HA ' HD12 ' A' ' 16' ' ' ILE . 20.2 mtp180 -70.2 -36.12 74.39 Favored 'General case' 0 C--N 1.391 2.387 0 O-C-N 125.289 1.618 . . . . 1.0 113.254 173.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 17' ' ' ILE . 17.3 mt-10 -65.44 -34.82 79.18 Favored 'General case' 0 C--N 1.383 2.05 0 O-C-N 126.642 2.464 . . . . 1.0 112.345 176.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -65.33 -33.77 76.76 Favored 'General case' 0 C--N 1.39 2.359 0 O-C-N 124.622 1.201 . . . . 1.0 113.086 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.1 mt -67.43 -47.27 81.36 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 124.59 1.181 . . . . 1.0 110.772 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -11.46 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.08 0 O-C-N 125.074 1.484 . . . . 1.0 113.796 177.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.01 -41.89 8.16 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.206 -1.815 . . . . 1.0 114.038 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -24.65 22.57 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 125.555 1.785 . . . . 1.0 114.151 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -79.64 -9.93 59.71 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 114.648 1.351 . . . . 1.0 114.648 -177.138 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -11.31 50.83 Favored 'General case' 0 C--N 1.415 3.421 0 C-N-CA 124.35 1.06 . . . . 1.0 112.598 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.02 -25.26 13.51 Favored 'General case' 0 C--N 1.375 1.709 0 O-C-N 124.553 1.158 . . . . 1.0 113.343 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.8 -170.17 27.26 Favored Glycine 0 CA--C 1.481 -2.063 0 O-C-N 125.05 1.469 . . . . 1.0 111.96 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -118.17 131.7 56.38 Favored 'General case' 0 C--O 1.268 2.057 0 C-N-CA 123.018 0.527 . . . . 1.0 110.009 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 40.2 m-85 -138.74 144.83 39.64 Favored 'General case' 0 CA--C 1.465 -2.324 0 O-C-N 124.434 1.084 . . . . 1.0 109.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 159.28 71.99 Favored Pre-proline 0 N--CA 1.434 -1.249 0 CA-C-O 117.499 -1.238 . . . . 1.0 110.256 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.514 ' HB3' HG21 ' A' ' 45' ' ' ILE . 12.2 Cg_endo -49.84 -46.19 28.76 Favored 'Trans proline' 1 C--N 1.425 4.58 0 C-N-CA 123.422 2.748 . . . . 1.0 115.646 177.662 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -61.0 -32.39 71.97 Favored 'General case' 0 C--N 1.406 3.023 0 O-C-N 125.265 1.603 . . . . 1.0 113.042 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 1.8 mt-10 -73.61 -36.25 65.45 Favored 'General case' 0 C--N 1.406 3.037 0 O-C-N 125.685 1.865 . . . . 1.0 112.718 175.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -2.87 16.76 Favored 'General case' 0 C--N 1.406 3.043 0 O-C-N 125.661 1.851 . . . . 1.0 111.764 172.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.29 -30.18 11.65 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-N 113.431 -1.713 . . . . 1.0 110.363 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -65.1 -46.52 80.74 Favored 'General case' 0 C--N 1.398 2.69 0 C-N-CA 124.31 1.044 . . . . 1.0 111.568 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -83.01 80.26 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.239 0 C-N-CA 124.669 1.188 . . . . 1.0 108.1 175.018 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 CA-C-N 118.415 0.552 . . . . 1.0 109.609 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.514 0 N-CA-C 112.6 0.592 . . . . 1.0 112.6 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 74.5 mttt -70.02 -48.93 56.06 Favored 'General case' 0 C--N 1.377 1.772 0 N-CA-C 114.319 1.229 . . . . 1.0 114.319 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.93 -33.13 61.93 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 125.256 1.597 . . . . 1.0 113.463 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.55 -43.79 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 125.298 1.624 . . . . 1.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -73.55 -24.82 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.137 0 O-C-N 126.539 2.399 . . . . 1.0 112.639 176.694 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -71.22 -38.76 72.0 Favored 'General case' 0 C--N 1.362 1.127 0 O-C-N 126.054 2.096 . . . . 1.0 112.234 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.52 -27.12 58.59 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 126.97 2.669 . . . . 1.0 111.829 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.8 m-20 -66.07 -32.43 73.89 Favored 'General case' 0 C--N 1.393 2.483 0 O-C-N 124.98 1.425 . . . . 1.0 112.078 173.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -67.45 -34.13 76.57 Favored 'General case' 0 C--N 1.391 2.406 0 CA-C-N 114.652 -1.158 . . . . 1.0 112.743 174.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -63.92 -37.95 89.28 Favored 'General case' 0 C--N 1.376 1.729 0 O-C-N 125.334 1.646 . . . . 1.0 113.073 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.41 -44.73 26.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.148 0 CA-C-N 114.499 -1.228 . . . . 1.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.729 ' HA ' HD12 ' A' ' 55' ' ' ILE . 1.7 mt -64.72 -39.91 87.27 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 O-C-N 126.533 2.396 . . . . 1.0 112.44 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -58.85 -29.55 67.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 127.068 2.73 . . . . 1.0 113.421 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -72.58 -33.8 66.99 Favored 'General case' 0 C--N 1.398 2.694 0 O-C-N 124.809 1.318 . . . . 1.0 113.351 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.6 OUTLIER -86.14 -39.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 125.129 1.518 . . . . 1.0 111.344 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.43 65.23 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 125.45 1.718 . . . . 1.0 114.212 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -87.67 -35.16 18.15 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 125.99 2.056 . . . . 1.0 113.023 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -71.27 -20.3 62.24 Favored 'General case' 0 N--CA 1.516 2.836 0 O-C-N 127.693 3.12 . . . . 1.0 110.428 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.05 5.92 44.59 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 113.718 -1.583 . . . . 1.0 113.075 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 31.32 79.39 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 114.966 -1.015 . . . . 1.0 115.025 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.8 147.91 39.16 Favored 'General case' 0 C--N 1.377 1.799 0 C-N-CA 123.404 0.681 . . . . 1.0 109.313 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.49 124.68 70.37 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-N 114.738 -1.119 . . . . 1.0 111.353 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 124.74 48.09 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 125.358 1.661 . . . . 1.0 110.05 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.62 130.92 54.29 Favored 'General case' 0 C--O 1.262 1.711 0 O-C-N 124.98 1.425 . . . . 1.0 111.246 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.93 132.39 63.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 O-C-N 124.751 1.282 . . . . 1.0 108.127 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -80.18 134.33 55.92 Favored Pre-proline 0 C--N 1.38 1.906 0 O-C-N 125.732 1.895 . . . . 1.0 110.8 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.94 124.54 11.96 Favored 'Trans proline' 0 C--N 1.412 3.892 0 N-CA-C 117.308 2.003 . . . . 1.0 117.308 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.2 140.68 54.6 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.087 -2.778 . . . . 1.0 109.972 176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -139.25 159.64 41.69 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.357 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.6 t -88.71 123.57 33.27 Favored 'General case' 0 C--O 1.273 2.339 0 O-C-N 125.988 2.055 . . . . 1.0 107.116 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -89.67 -6.2 56.37 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.25 -46.57 7.33 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.3 -20.1 18.77 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 125.598 1.811 . . . . 1.0 113.28 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.67 58.74 Favored Glycine 0 C--N 1.387 3.373 0 O-C-N 124.543 1.152 . . . . 1.0 113.622 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.81 134.59 48.01 Favored 'General case' 0 C--N 1.404 2.94 0 O-C-N 125.424 1.308 . . . . 1.0 111.815 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.84 127.94 62.0 Favored 'Isoleucine or valine' 0 C--O 1.265 1.889 0 O-C-N 125.726 1.891 . . . . 1.0 111.376 -175.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -99.54 151.6 20.97 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.405 1.69 . . . . 1.0 111.494 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -64.18 149.17 48.38 Favored 'General case' 0 C--O 1.275 2.44 0 O-C-N 124.956 1.41 . . . . 1.0 109.946 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.73 127.28 30.69 Favored 'General case' 0 C--N 1.377 1.769 0 O-C-N 124.711 1.257 . . . . 1.0 110.636 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -137.42 169.15 18.28 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 114.403 -1.272 . . . . 1.0 110.675 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.479 HG13 ' H ' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -102.59 -81.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 CA-C-N 112.924 -1.943 . . . . 1.0 109.395 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.428 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.5 m120 -61.59 147.04 46.95 Favored 'General case' 0 C--O 1.28 2.666 0 O-C-N 125.378 1.674 . . . . 1.0 107.361 174.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.33 135.71 19.3 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 124.677 1.236 . . . . 1.0 110.335 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -74.69 152.34 42.29 Favored 'Trans proline' 1 C--N 1.417 4.165 0 C-N-CA 122.061 1.841 . . . . 1.0 114.267 172.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m -85.56 -25.09 26.95 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 125.367 1.667 . . . . 1.0 112.022 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -143.36 143.81 31.81 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 124.313 1.008 . . . . 1.0 110.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.384 2.084 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.261 175.768 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.779 -0.629 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -102.74 94.66 5.73 Favored 'General case' 0 C--O 1.252 1.193 0 O-C-N 125.772 1.92 . . . . 1.0 112.664 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.32 147.27 30.03 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-N 114.241 -1.345 . . . . 1.0 109.458 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.11 131.73 35.81 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 124.935 1.397 . . . . 1.0 110.648 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.29 143.22 44.65 Favored Pre-proline 0 C--N 1.369 1.425 0 O-C-N 124.901 1.375 . . . . 1.0 110.655 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -65.95 157.78 57.5 Favored 'Trans proline' 1 C--N 1.415 4.031 0 C-N-CA 122.594 2.196 . . . . 1.0 115.754 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -109.35 137.86 46.58 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-N 113.657 -1.61 . . . . 1.0 109.858 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.42 126.29 54.8 Favored 'General case' 0 C--O 1.257 1.476 0 O-C-N 125.014 1.446 . . . . 1.0 110.795 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -141.28 154.69 45.87 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.609 1.193 . . . . 1.0 110.878 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.99 128.86 55.2 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 124.353 1.033 . . . . 1.0 109.72 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -119.57 136.87 54.17 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 114.936 -1.029 . . . . 1.0 109.684 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.64 147.11 35.74 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.486 1.116 . . . . 1.0 110.054 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 2 N--CA 1.559 4.999 0 C-N-CA 126.508 1.923 . . . . 1.0 111.195 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.578 0.955 . . . . 1.0 113.578 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 124.364 1.04 . . . . 1.0 113.749 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -81.19 -37.82 28.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 124.199 0.937 . . . . 1.0 113.176 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.74 -38.3 89.98 Favored 'General case' 0 C--N 1.392 2.454 0 O-C-N 126.937 2.648 . . . . 1.0 112.474 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.5 mtp180 -70.48 -36.76 74.04 Favored 'General case' 0 C--N 1.386 2.176 0 O-C-N 124.847 1.342 . . . . 1.0 112.588 174.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HA ' HD11 ' A' ' 17' ' ' ILE . 15.2 mt-10 -65.39 -34.5 78.45 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 126.285 2.241 . . . . 1.0 112.176 176.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -67.36 -30.83 70.73 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.437 1.085 . . . . 1.0 112.979 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.9 mt -66.53 -48.29 80.96 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 O-C-N 124.312 1.007 . . . . 1.0 111.432 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -77.04 -1.01 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.829 0 O-C-N 124.822 1.326 . . . . 1.0 113.736 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -102.47 -42.98 5.78 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-N 114.223 -1.353 . . . . 1.0 113.398 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -25.93 21.77 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 124.917 1.386 . . . . 1.0 113.443 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -78.51 -9.56 59.38 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -177.636 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -11.64 48.24 Favored 'General case' 0 C--N 1.41 3.225 0 C-N-CA 124.368 1.067 . . . . 1.0 112.161 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -104.08 -26.14 12.7 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 124.415 1.072 . . . . 1.0 113.104 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.24 -165.06 17.29 Favored Glycine 0 CA--C 1.487 -1.714 0 O-C-N 124.763 1.289 . . . . 1.0 112.074 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.73 133.73 55.32 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 115.372 -0.414 . . . . 1.0 110.234 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.44 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 33.5 m-85 -140.96 143.02 34.29 Favored 'General case' 0 CA--C 1.472 -2.049 0 O-C-N 124.145 0.903 . . . . 1.0 109.576 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 159.85 76.45 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 117.827 -1.082 . . . . 1.0 110.597 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.624 ' HB3' HG21 ' A' ' 45' ' ' ILE . 13.9 Cg_endo -50.95 -45.5 35.96 Favored 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 123.149 2.566 . . . . 1.0 115.71 177.633 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.1 m -61.54 -31.37 71.39 Favored 'General case' 0 C--N 1.395 2.575 0 O-C-N 125.063 1.477 . . . . 1.0 112.737 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -74.53 -36.81 63.16 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 125.258 1.599 . . . . 1.0 112.648 176.19 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -1.78 13.0 Favored 'General case' 0 C--N 1.402 2.849 0 O-C-N 125.04 1.462 . . . . 1.0 111.699 172.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.36 -29.01 11.49 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 113.811 -1.541 . . . . 1.0 110.438 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -64.74 -45.1 87.88 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 124.419 1.074 . . . . 1.0 111.198 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -83.52 84.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.279 2.613 0 C-N-CA 124.543 1.137 . . . . 1.0 108.926 174.075 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.444 -3.129 0 N-CA-C 112.798 0.666 . . . . 1.0 112.798 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 112.737 0.643 . . . . 1.0 112.737 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 45' ' ' ILE . 64.1 mttt -71.04 -54.05 12.54 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 114.187 1.18 . . . . 1.0 114.187 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 46' ' ' LEU . 49.2 mttt -75.09 -32.29 61.42 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 125.038 1.462 . . . . 1.0 113.809 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -38.27 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 125.5 1.75 . . . . 1.0 112.223 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.48 -25.0 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 O-C-N 125.615 1.822 . . . . 1.0 112.937 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 49' ' ' LEU . 22.0 mt -72.86 -37.26 67.45 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 126.155 2.159 . . . . 1.0 112.63 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.78 56.05 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 126.307 2.255 . . . . 1.0 111.316 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.533 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.9 m-20 -67.12 -30.81 70.91 Favored 'General case' 0 C--N 1.388 2.273 0 O-C-N 124.585 1.178 . . . . 1.0 112.101 173.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 46' ' ' LEU . 2.7 mt -67.45 -33.47 75.21 Favored 'General case' 0 C--N 1.385 2.114 0 CA-C-N 114.759 -1.11 . . . . 1.0 112.699 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -36.52 84.35 Favored 'General case' 0 C--N 1.372 1.57 0 O-C-N 125.328 1.643 . . . . 1.0 113.002 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.15 -44.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 124.508 1.123 . . . . 1.0 111.439 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 48' ' ' ASP . 30.6 mm -70.72 -33.44 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 125.539 1.774 . . . . 1.0 113.394 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 m -61.73 -30.53 70.83 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 127.348 2.905 . . . . 1.0 113.507 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -72.65 -33.21 66.43 Favored 'General case' 0 C--N 1.387 2.216 0 O-C-N 124.785 1.303 . . . . 1.0 113.145 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.31 -39.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 124.835 1.334 . . . . 1.0 111.49 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.97 -24.19 64.21 Favored 'General case' 0 C--N 1.388 2.258 0 O-C-N 125.238 1.586 . . . . 1.0 114.086 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -89.56 -34.51 16.33 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 125.879 1.987 . . . . 1.0 112.953 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.32 -19.25 61.69 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 127.343 2.902 . . . . 1.0 110.378 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.62 5.85 46.26 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-N 114.05 -1.432 . . . . 1.0 112.78 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.93 31.32 80.13 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 115.044 -0.98 . . . . 1.0 114.684 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -115.3 148.85 38.71 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 123.274 0.63 . . . . 1.0 109.534 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.26 125.0 72.39 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-N 114.869 -1.059 . . . . 1.0 111.205 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -99.62 126.39 45.61 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.069 1.481 . . . . 1.0 110.389 176.718 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.21 129.75 55.86 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 124.454 1.096 . . . . 1.0 111.06 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 134.62 53.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 108.643 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -78.64 133.64 62.55 Favored Pre-proline 0 C--O 1.259 1.594 0 O-C-N 125.285 1.616 . . . . 1.0 110.609 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.5 122.84 10.35 Favored 'Trans proline' 0 C--N 1.41 3.815 0 N-CA-C 117.065 1.91 . . . . 1.0 117.065 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.784 ' HB2' ' HG3' ' A' ' 98' ' ' PRO . . . -69.15 141.09 54.68 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 111.552 -2.567 . . . . 1.0 110.187 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -138.97 157.88 45.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.268 -0.878 . . . . 1.0 111.461 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 50.4 m -88.95 123.61 33.46 Favored 'General case' 0 C--O 1.269 2.118 0 O-C-N 125.229 1.58 . . . . 1.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -84.41 -10.62 57.38 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 114.923 1.453 . . . . 1.0 114.923 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HD2' ' HB2' ' A' ' 94' ' ' TRP . 28.7 mttt -93.18 -47.6 6.87 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 114.337 1.236 . . . . 1.0 114.337 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.3 p -96.52 -19.02 19.41 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.903 1.377 . . . . 1.0 113.327 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.63 -16.23 61.21 Favored Glycine 0 C--N 1.381 3.028 0 O-C-N 124.132 0.895 . . . . 1.0 113.849 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.79 133.47 42.38 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 125.408 1.299 . . . . 1.0 111.864 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.16 128.09 63.89 Favored 'Isoleucine or valine' 0 C--O 1.259 1.581 0 O-C-N 125.492 1.745 . . . . 1.0 111.136 -174.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -100.23 149.54 23.46 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 125.155 1.534 . . . . 1.0 111.837 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 148.48 51.82 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 125.008 1.443 . . . . 1.0 110.284 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.57 120.54 14.16 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.255 0.972 . . . . 1.0 111.198 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -126.39 177.61 6.35 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.942 -1.481 . . . . 1.0 110.533 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.562 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -103.14 -83.59 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 CA-C-N 113.857 -1.519 . . . . 1.0 109.531 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.562 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.8 m120 -59.58 142.28 53.09 Favored 'General case' 0 C--O 1.273 2.324 0 O-C-N 125.567 1.792 . . . . 1.0 107.44 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.85 140.27 21.83 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 124.568 1.167 . . . . 1.0 112.959 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -80.46 151.95 20.14 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 121.224 1.283 . . . . 1.0 114.956 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m -86.42 -17.77 33.49 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 125.023 1.452 . . . . 1.0 111.014 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -149.4 146.26 27.38 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 124.213 1.005 . . . . 1.0 110.193 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.369 1.424 0 O-C-N 124.603 1.189 . . . . 1.0 110.048 177.127 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.064 -0.97 . . . . 1.0 113.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.534 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -93.94 93.93 8.18 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 126.353 2.283 . . . . 1.0 113.961 -176.604 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.69 139.96 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 114.446 -1.252 . . . . 1.0 108.009 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.3 134.92 35.01 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.793 1.933 . . . . 1.0 109.759 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.63 146.19 60.17 Favored Pre-proline 0 C--N 1.368 1.397 0 O-C-N 123.991 0.807 . . . . 1.0 111.846 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.784 ' HG3' ' HB2' ' A' ' 68' ' ' ALA . 23.1 Cg_exo -72.0 162.72 40.99 Favored 'Trans proline' 0 C--N 1.409 3.753 0 C-N-CA 122.209 1.939 . . . . 1.0 115.493 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.83 138.86 49.04 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 113.757 -1.565 . . . . 1.0 109.638 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -112.82 128.03 56.33 Favored 'General case' 0 C--O 1.254 1.328 0 O-C-N 124.961 1.413 . . . . 1.0 111.399 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -137.82 150.02 46.84 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 124.484 1.115 . . . . 1.0 110.806 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -120.73 131.35 54.48 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 123.853 0.721 . . . . 1.0 109.865 178.228 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -119.09 134.08 55.41 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 115.184 -0.916 . . . . 1.0 109.963 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.52 120.53 40.45 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 124.984 1.428 . . . . 1.0 111.052 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.6 mttt . . . . . 2 N--CA 1.56 5.045 0 C-N-CA 126.815 2.046 . . . . 1.0 111.956 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 114.174 1.176 . . . . 1.0 114.174 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.75 56.35 Favored 'General case' 0 C--N 1.372 1.574 0 O-C-N 125.002 1.439 . . . . 1.0 113.932 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -84.77 -26.73 27.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.391 1.256 . . . . 1.0 114.391 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -45.9 65.77 Favored 'General case' 0 C--N 1.403 2.915 0 O-C-N 125.652 1.845 . . . . 1.0 114.157 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' ILE . 67.1 mtt180 -67.08 -40.4 86.99 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 114.3 -1.318 . . . . 1.0 114.297 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.5 -37.93 86.14 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 126.277 2.236 . . . . 1.0 112.07 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.66 -30.01 70.17 Favored 'General case' 0 C--N 1.385 2.123 0 O-C-N 124.562 1.164 . . . . 1.0 113.393 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' ARG . 9.3 mt -65.71 -48.85 80.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.513 0 O-C-N 124.191 0.932 . . . . 1.0 111.445 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -77.44 -2.64 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 O-C-N 124.79 1.306 . . . . 1.0 113.92 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -102.04 -42.82 5.96 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.274 -1.33 . . . . 1.0 113.771 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -22.43 24.86 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.097 1.498 . . . . 1.0 113.725 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -81.92 -9.88 59.45 Favored 'General case' 0 C--O 1.264 1.827 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -176.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -11.37 48.34 Favored 'General case' 0 C--N 1.407 3.081 0 C-N-CA 124.084 0.954 . . . . 1.0 112.65 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -102.98 -26.84 12.94 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 124.173 0.921 . . . . 1.0 113.066 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.39 -170.02 24.44 Favored Glycine 0 C--O 1.26 1.723 0 O-C-N 125.067 1.48 . . . . 1.0 112.311 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.58 132.73 55.79 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-O 121.478 0.656 . . . . 1.0 109.578 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.558 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 37.9 m-85 -139.19 145.91 39.9 Favored 'General case' 0 CA--C 1.473 -2.01 0 CA-C-N 115.021 -0.991 . . . . 1.0 110.388 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -76.87 157.63 81.47 Favored Pre-proline 0 C--O 1.257 1.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.035 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HB3' HG21 ' A' ' 45' ' ' ILE . 86.1 Cg_exo -52.28 -42.24 61.39 Favored 'Trans proline' 1 C--N 1.425 4.568 0 C-N-CA 122.726 2.284 . . . . 1.0 115.629 178.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -66.44 -29.32 69.44 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.233 0.958 . . . . 1.0 113.403 173.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.558 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 13.2 mt-10 -75.13 -36.9 61.57 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 125.059 1.474 . . . . 1.0 113.036 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.84 -65.79 0.63 Allowed 'General case' 0 C--N 1.372 1.566 0 O-C-N 126.882 2.614 . . . . 1.0 108.751 178.313 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -48.61 -21.56 0.61 Allowed 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.998 1.319 . . . . 1.0 114.154 175.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.24 -43.47 70.51 Favored 'General case' 0 C--N 1.418 3.565 0 C-N-CA 124.618 1.167 . . . . 1.0 111.776 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 33' ' ' ILE . 1.1 tt -84.06 85.51 2.06 Favored 'Isoleucine or valine' 0 C--O 1.282 2.768 0 O-C-N 124.911 1.382 . . . . 1.0 107.562 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.906 0 CA-C-O 121.179 0.514 . . . . 1.0 111.004 -174.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 45' ' ' ILE . 8.3 mttp -68.48 -60.64 2.29 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -176.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.6 mttm -76.02 -28.46 57.75 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 125.741 1.901 . . . . 1.0 113.109 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.09 -38.48 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 125.482 1.739 . . . . 1.0 111.411 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -74.01 -23.2 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 126.836 2.585 . . . . 1.0 112.668 177.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' A' ' 43' ' ' LYS . 33.9 mt -74.29 -36.1 63.74 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 126.126 2.141 . . . . 1.0 112.427 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -76.94 -27.85 55.01 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 126.498 2.374 . . . . 1.0 111.309 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.527 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -65.85 -30.64 71.28 Favored 'General case' 0 C--N 1.397 2.661 0 O-C-N 124.535 1.147 . . . . 1.0 111.834 174.771 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.18 -33.82 76.62 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 115.569 1.692 . . . . 1.0 115.569 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -62.62 -37.54 86.7 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 126.768 2.542 . . . . 1.0 113.623 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.505 HG21 ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -78.34 -42.69 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.195 1.398 . . . . 1.0 113.044 179.481 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' A' ' 55' ' ' ILE . 29.3 mm -71.7 -32.63 45.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 124.75 1.281 . . . . 1.0 113.62 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -30.45 71.14 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 127.538 3.023 . . . . 1.0 113.083 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.23 -32.78 64.94 Favored 'General case' 0 C--N 1.384 2.098 0 O-C-N 124.938 1.399 . . . . 1.0 113.195 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.7 -40.17 13.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 125.026 1.454 . . . . 1.0 111.515 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -23.64 64.2 Favored 'General case' 0 C--N 1.39 2.344 0 O-C-N 125.307 1.629 . . . . 1.0 114.05 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -90.31 -34.68 15.63 Favored 'General case' 0 CA--C 1.584 2.279 0 O-C-N 125.73 1.894 . . . . 1.0 112.334 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -72.22 -19.65 61.68 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 128.043 3.339 . . . . 1.0 110.202 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.13 6.1 46.33 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 113.986 -1.461 . . . . 1.0 112.861 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.81 30.88 78.44 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 115.152 -0.931 . . . . 1.0 114.711 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.0 mtm -115.01 151.46 34.15 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 123.321 0.648 . . . . 1.0 109.816 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.19 124.17 72.62 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.369 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.92 126.22 46.03 Favored 'General case' 0 C--O 1.262 1.726 0 O-C-N 125.132 1.52 . . . . 1.0 109.851 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.17 131.21 54.88 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 124.414 1.072 . . . . 1.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.06 132.94 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 124.494 1.121 . . . . 1.0 108.445 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -81.85 135.36 48.82 Favored Pre-proline 0 C--N 1.374 1.673 0 O-C-N 125.355 1.659 . . . . 1.0 110.425 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.93 123.19 10.39 Favored 'Trans proline' 0 C--N 1.405 3.552 0 N-CA-C 117.619 2.123 . . . . 1.0 117.619 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . . . -68.17 141.19 56.09 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 111.231 -2.713 . . . . 1.0 109.4 176.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -139.71 156.49 46.77 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.765 -173.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.84 121.84 32.35 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 125.593 1.808 . . . . 1.0 107.16 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -93.73 2.5 56.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.8 -47.6 5.24 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 p -97.78 -20.64 17.42 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.916 1.385 . . . . 1.0 113.595 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.51 52.77 Favored Glycine 0 C--N 1.374 2.64 0 O-C-N 124.75 1.281 . . . . 1.0 113.438 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.64 131.39 34.44 Favored 'General case' 0 C--N 1.398 2.704 0 O-C-N 125.211 1.183 . . . . 1.0 112.468 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.71 127.8 64.94 Favored 'Isoleucine or valine' 0 C--O 1.262 1.748 0 O-C-N 125.475 1.734 . . . . 1.0 110.82 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.09 150.91 20.93 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 124.843 1.339 . . . . 1.0 111.817 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -66.0 148.86 51.16 Favored 'General case' 0 C--O 1.269 2.086 0 O-C-N 124.881 1.363 . . . . 1.0 109.926 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 114.98 5.84 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 124.137 0.898 . . . . 1.0 111.049 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -122.82 175.33 6.6 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 114.058 -1.428 . . . . 1.0 110.77 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.564 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -100.72 -83.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.469 0 CA-C-N 114.38 -1.282 . . . . 1.0 110.554 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.564 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.3 m120 -58.35 140.3 53.77 Favored 'General case' 0 C--O 1.276 2.482 0 O-C-N 125.86 1.975 . . . . 1.0 107.165 173.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.02 147.95 33.93 Favored Pre-proline 0 CA--C 1.563 1.449 0 O-C-N 124.919 1.387 . . . . 1.0 113.107 -175.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -80.46 155.59 21.65 Favored 'Trans proline' 0 C--N 1.394 2.945 0 C-N-CA 121.732 1.621 . . . . 1.0 115.056 169.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 m -97.39 -20.78 17.58 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 125.369 1.668 . . . . 1.0 111.465 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -149.9 144.65 26.05 Favored 'General case' 0 C--O 1.263 1.799 0 CA-C-N 115.164 -0.926 . . . . 1.0 110.445 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.26 1.628 0 O-C-N 124.816 1.322 . . . . 1.0 111.389 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.758 -0.639 . . . . 1.0 109.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -102.17 94.01 5.52 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 125.966 2.041 . . . . 1.0 110.851 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 147.1 31.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.357 0 CA-C-N 114.756 -1.111 . . . . 1.0 109.813 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.28 131.32 36.15 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 124.337 1.023 . . . . 1.0 110.345 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -80.19 140.3 53.03 Favored Pre-proline 0 C--O 1.256 1.414 0 O-C-N 124.83 1.331 . . . . 1.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 40.1 Cg_endo -62.72 157.51 47.08 Favored 'Trans proline' 0 C--N 1.411 3.866 0 C-N-CA 122.087 1.858 . . . . 1.0 115.409 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -109.75 135.75 50.18 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 113.388 -1.733 . . . . 1.0 110.573 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -117.55 127.49 54.04 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 124.962 1.414 . . . . 1.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -141.15 156.92 45.88 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 124.291 0.994 . . . . 1.0 110.492 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.48 136.3 53.9 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 123.8 0.687 . . . . 1.0 109.993 179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.56 133.23 55.76 Favored 'General case' 0 C--O 1.263 1.789 0 CA-C-N 114.912 -1.04 . . . . 1.0 109.654 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -102.87 121.79 43.22 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 125.621 1.826 . . . . 1.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 4.988 0 C-N-CA 126.893 2.077 . . . . 1.0 112.012 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 114.639 1.348 . . . . 1.0 114.639 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.27 74.18 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.465 1.283 . . . . 1.0 114.465 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -83.72 -36.94 23.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 125.034 1.459 . . . . 1.0 114.137 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.09 81.62 Favored 'General case' 0 C--N 1.404 2.95 0 O-C-N 126.775 2.547 . . . . 1.0 113.522 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.0 mtm180 -69.66 -37.52 76.75 Favored 'General case' 0 C--N 1.387 2.226 0 O-C-N 125.268 1.605 . . . . 1.0 113.254 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.6 mt-10 -67.45 -35.93 80.19 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.08 2.112 . . . . 1.0 112.055 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -64.56 -32.51 74.19 Favored 'General case' 0 C--N 1.389 2.299 0 O-C-N 124.419 1.075 . . . . 1.0 113.076 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 13' ' ' ARG . 6.5 mt -67.64 -46.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 O-C-N 124.453 1.095 . . . . 1.0 110.986 176.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -71.27 -11.62 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 O-C-N 125.09 1.494 . . . . 1.0 113.681 178.642 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -98.97 -40.07 8.24 Favored 'General case' 0 C--O 1.244 0.763 0 O-C-N 125.343 1.652 . . . . 1.0 114.12 -172.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -21.3 23.88 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.497 1.748 . . . . 1.0 113.899 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.93 -9.38 58.14 Favored 'General case' 0 C--O 1.267 2.015 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 -175.088 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -11.27 52.61 Favored 'General case' 0 C--N 1.405 2.994 0 C-N-CA 124.028 0.931 . . . . 1.0 112.927 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -103.87 -26.22 12.76 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 124.64 1.213 . . . . 1.0 113.158 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.85 179.85 35.13 Favored Glycine 0 CA--C 1.486 -1.77 0 O-C-N 125.066 1.479 . . . . 1.0 112.039 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.563 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 5.0 p-10 -112.1 131.24 55.56 Favored 'General case' 0 C--O 1.268 2.066 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.073 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.83 146.75 47.83 Favored 'General case' 0 CA--C 1.471 -2.09 0 O-C-N 124.772 1.295 . . . . 1.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.13 161.63 67.38 Favored Pre-proline 0 C--O 1.251 1.172 0 O-C-N 124.491 1.119 . . . . 1.0 110.055 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HB3' HG21 ' A' ' 45' ' ' ILE . 83.8 Cg_exo -52.64 -46.52 32.84 Favored 'Trans proline' 1 C--N 1.43 4.868 0 C-N-CA 122.801 2.334 . . . . 1.0 115.209 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.29 -32.42 71.18 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 124.54 1.15 . . . . 1.0 113.03 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.89 -35.99 69.91 Favored 'General case' 0 C--N 1.405 2.986 0 O-C-N 125.249 1.593 . . . . 1.0 112.783 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.16 -3.23 18.96 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 125.431 1.707 . . . . 1.0 112.044 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.05 -30.47 11.16 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-N 113.559 -1.655 . . . . 1.0 110.12 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -64.66 -47.6 77.88 Favored 'General case' 0 C--N 1.396 2.618 0 O-C-N 124.227 0.955 . . . . 1.0 111.332 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.735 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -84.08 83.08 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.967 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 174.755 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.735 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.252 1.226 0 N-CA-C 112.525 0.565 . . . . 1.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 45' ' ' ILE . 62.2 mttt -73.94 -52.62 12.29 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HA ' HD12 ' A' ' 46' ' ' LEU . 60.5 mttt -74.74 -29.33 61.12 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 125.476 1.735 . . . . 1.0 113.832 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.6 -40.43 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 125.688 1.867 . . . . 1.0 111.305 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -73.33 -24.9 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 O-C-N 126.584 2.427 . . . . 1.0 112.939 178.046 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 43' ' ' LYS . 12.4 mt -73.62 -36.77 65.5 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.346 2.279 . . . . 1.0 112.131 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.02 -27.72 61.09 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 126.361 2.288 . . . . 1.0 111.349 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -33.29 75.61 Favored 'General case' 0 C--N 1.395 2.586 0 O-C-N 124.726 1.266 . . . . 1.0 111.863 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -34.33 78.17 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 116.185 1.92 . . . . 1.0 116.185 174.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.15 -36.03 82.7 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 126.952 2.658 . . . . 1.0 112.248 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.51 -45.26 46.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 124.594 1.157 . . . . 1.0 111.689 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.736 ' HA ' HD12 ' A' ' 55' ' ' ILE . 9.1 mt -69.57 -36.61 71.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 126.013 2.071 . . . . 1.0 112.335 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 p -60.73 -31.62 70.92 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 126.299 2.25 . . . . 1.0 114.355 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -71.34 -34.58 70.65 Favored 'General case' 0 C--N 1.39 2.342 0 O-C-N 125.084 1.49 . . . . 1.0 113.226 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -85.16 -39.08 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 O-C-N 125.29 1.619 . . . . 1.0 111.542 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -60.09 -24.74 64.87 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 125.509 1.755 . . . . 1.0 114.708 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -90.23 -35.4 15.35 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 125.762 1.914 . . . . 1.0 112.338 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -72.04 -21.75 61.49 Favored 'General case' 0 N--CA 1.524 3.241 0 O-C-N 128.486 3.616 . . . . 1.0 109.958 170.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.83 12.68 34.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-N 114.089 -1.414 . . . . 1.0 113.318 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.51 -60.06 1.58 Allowed Glycine 0 C--N 1.368 2.346 0 CA-C-O 117.85 -1.528 . . . . 1.0 116.591 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 104' ' ' ARG . 20.5 mtm -37.97 115.54 0.44 Allowed 'General case' 0 C--N 1.403 2.896 0 O-C-N 128.714 3.244 . . . . 1.0 110.948 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.81 139.67 18.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 114.846 -1.07 . . . . 1.0 112.801 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 101' ' ' LYS . 3.0 mm? -94.8 123.9 38.52 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 126.016 2.072 . . . . 1.0 113.156 176.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.91 131.13 55.57 Favored 'General case' 0 C--O 1.261 1.701 0 O-C-N 125.097 1.498 . . . . 1.0 110.783 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.28 131.42 65.03 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 O-C-N 124.641 1.213 . . . . 1.0 108.819 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -83.63 134.76 44.24 Favored Pre-proline 0 C--N 1.376 1.72 0 O-C-N 125.6 1.812 . . . . 1.0 109.911 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -67.55 118.88 5.92 Favored 'Trans proline' 0 C--N 1.409 3.745 0 N-CA-C 117.377 2.029 . . . . 1.0 117.377 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 141.75 58.27 Favored 'General case' 0 C--O 1.271 2.237 0 CA-C-N 110.697 -2.956 . . . . 1.0 109.114 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.668 ' HG3' HG13 ' A' ' 76' ' ' VAL . 2.6 tt0 -136.35 149.33 48.31 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 123.996 0.81 . . . . 1.0 111.905 -172.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -90.73 120.23 31.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 106.335 -1.728 . . . . 1.0 106.335 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -91.02 0.48 57.53 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.436 1.272 . . . . 1.0 114.436 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -99.8 -49.1 4.47 Favored 'General case' 0 C--N 1.362 1.148 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.94 -21.41 18.05 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 124.508 1.13 . . . . 1.0 113.032 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.53 -18.15 57.38 Favored Glycine 0 C--N 1.38 2.974 0 O-C-N 124.782 1.301 . . . . 1.0 113.562 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -53.0 131.71 36.57 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 125.199 1.176 . . . . 1.0 113.148 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.668 HG13 ' HG3' ' A' ' 69' ' ' GLN . 6.7 t -105.67 130.1 57.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.092 0 O-C-N 125.744 1.902 . . . . 1.0 109.461 -176.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.78 147.6 24.22 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.08 1.487 . . . . 1.0 111.381 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.37 153.38 43.06 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 124.781 1.301 . . . . 1.0 110.589 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.89 116.91 9.91 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.367 1.042 . . . . 1.0 111.306 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -123.31 174.51 7.27 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.665 -1.607 . . . . 1.0 110.482 -175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.45 HG13 ' H ' ' A' ' 81' ' ' ILE . 0.6 OUTLIER -103.63 46.3 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.675 0 CA-C-N 114.458 -1.246 . . . . 1.0 111.906 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.64 170.89 7.82 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 122.24 -0.288 . . . . 1.0 111.185 -175.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -119.03 126.4 27.1 Favored Pre-proline 0 CA--C 1.579 2.063 0 O-C-N 124.499 1.124 . . . . 1.0 108.427 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -77.97 146.18 22.93 Favored 'Trans proline' 0 C--N 1.389 2.684 0 C-N-CA 121.429 1.42 . . . . 1.0 115.597 171.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -97.04 -26.49 14.98 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.514 1.759 . . . . 1.0 111.044 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -146.83 141.37 26.57 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 123.702 0.801 . . . . 1.0 110.17 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.398 2.679 0 O-C-N 124.603 1.19 . . . . 1.0 109.795 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 117.906 -1.045 . . . . 1.0 113.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 94.23 9.55 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.889 2.618 . . . . 1.0 112.393 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 138.68 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 114.553 -1.203 . . . . 1.0 108.484 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.36 131.68 42.64 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 125.883 1.99 . . . . 1.0 108.85 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.17 138.51 72.12 Favored Pre-proline 0 C--O 1.254 1.336 0 O-C-N 124.259 0.974 . . . . 1.0 112.238 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.23 157.84 55.46 Favored 'Trans proline' 1 C--N 1.418 4.22 0 C-N-CA 121.646 1.564 . . . . 1.0 114.43 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -112.74 138.24 49.84 Favored 'General case' 0 C--O 1.26 1.62 0 CA-C-N 113.787 -1.551 . . . . 1.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.65 130.2 56.77 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 125.236 1.585 . . . . 1.0 110.122 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.563 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 23.7 mttt -138.46 153.23 48.83 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 124.485 1.116 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.61 129.29 55.66 Favored 'General case' 0 C--O 1.264 1.858 0 O-C-N 124.48 1.113 . . . . 1.0 109.539 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -124.33 148.38 47.52 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.054 -0.975 . . . . 1.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 61' ' ' MET . 49.6 mtt180 -104.77 120.02 40.39 Favored 'General case' 0 C--O 1.259 1.6 0 O-C-N 125.3 1.625 . . . . 1.0 110.67 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 2 N--CA 1.56 5.036 0 C-N-CA 126.935 2.094 . . . . 1.0 112.046 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 C--O 1.265 1.906 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.73 41.12 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 125.163 1.539 . . . . 1.0 113.406 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -82.74 -40.79 20.05 Favored 'General case' 0 C--N 1.373 1.624 0 O-C-N 124.974 1.421 . . . . 1.0 112.803 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 16' ' ' ILE . 84.8 mtt180 -61.13 -39.26 89.34 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 127.388 2.93 . . . . 1.0 112.169 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -70.64 -36.36 73.39 Favored 'General case' 0 C--N 1.388 2.281 0 O-C-N 125.711 1.882 . . . . 1.0 112.94 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.8 mt-10 -65.56 -33.02 74.94 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 126.114 2.134 . . . . 1.0 112.879 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -70.14 -25.46 63.48 Favored 'General case' 0 C--N 1.38 1.92 0 O-C-N 124.771 1.294 . . . . 1.0 113.328 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 36.5 mm -68.64 -46.75 79.39 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 124.62 1.2 . . . . 1.0 112.042 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -79.93 3.31 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.158 0 O-C-N 126.061 2.101 . . . . 1.0 113.284 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -107.95 -40.18 5.32 Favored 'General case' 0 C--N 1.392 2.433 0 C-N-CA 124.093 0.957 . . . . 1.0 112.618 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -22.5 20.7 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 124.881 1.363 . . . . 1.0 112.888 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.602 HD12 HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -81.85 -10.5 59.3 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.686 1.195 . . . . 1.0 114.002 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.9 -10.17 51.47 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.988 1.315 . . . . 1.0 112.667 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.57 -26.15 12.46 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 125.222 1.576 . . . . 1.0 113.716 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.53 -173.7 31.54 Favored Glycine 0 C--O 1.264 1.978 0 O-C-N 124.723 1.264 . . . . 1.0 111.936 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.516 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 2.4 p-10 -116.01 130.71 56.94 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 124.494 0.761 . . . . 1.0 110.586 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 42.7 m-85 -137.25 144.39 42.73 Favored 'General case' 0 C--O 1.271 2.203 0 O-C-N 124.634 1.209 . . . . 1.0 110.043 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 m -72.82 159.91 84.17 Favored Pre-proline 0 C--O 1.256 1.42 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.462 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HB3' HG21 ' A' ' 45' ' ' ILE . 86.8 Cg_exo -53.12 -45.28 42.21 Favored 'Trans proline' 1 C--N 1.431 4.918 0 C-N-CA 122.765 2.31 . . . . 1.0 114.947 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -66.56 -27.18 67.54 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 124.609 1.193 . . . . 1.0 112.896 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 10.1 mt-10 -76.14 -39.71 54.41 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 125.732 1.895 . . . . 1.0 112.914 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -63.85 1.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 127.835 3.21 . . . . 1.0 111.125 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.47 -20.57 1.9 Allowed 'General case' 0 C--N 1.377 1.798 0 N-CA-C 114.749 1.388 . . . . 1.0 114.749 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -41.79 73.32 Favored 'General case' 0 C--N 1.398 2.703 0 O-C-N 125.009 1.443 . . . . 1.0 112.882 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -81.07 84.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.038 0 O-C-N 125.599 1.812 . . . . 1.0 109.063 173.256 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.487 0 O-C-N 120.286 -1.509 . . . . 1.0 112.826 -171.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.187 0 N-CA-C 112.856 0.687 . . . . 1.0 112.856 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 45' ' ' ILE . 40.8 mttt -64.11 -52.09 60.82 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-O 117.648 -1.167 . . . . 1.0 113.352 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -74.56 -29.82 61.5 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 125.268 1.605 . . . . 1.0 113.935 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.64 -42.12 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 125.979 2.049 . . . . 1.0 111.338 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.04 -22.67 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.628 0 O-C-N 125.506 1.754 . . . . 1.0 113.257 178.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 49' ' ' LEU . 22.3 mt -76.42 -35.33 58.6 Favored 'General case' 0 C--N 1.372 1.559 0 O-C-N 124.899 1.374 . . . . 1.0 112.433 -177.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.13 -27.4 57.05 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 126.836 2.585 . . . . 1.0 111.806 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.29 -34.58 78.32 Favored 'General case' 0 C--N 1.394 2.536 0 O-C-N 125.231 1.582 . . . . 1.0 112.244 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mt -65.79 -33.04 74.93 Favored 'General case' 0 C--N 1.386 2.172 0 O-C-N 125.599 1.812 . . . . 1.0 113.189 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.72 -36.08 81.83 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.267 2.23 . . . . 1.0 112.58 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.29 -44.42 42.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.803 0 C-N-CA 124.978 1.311 . . . . 1.0 111.254 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.76 -32.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 O-C-N 125.682 1.864 . . . . 1.0 111.466 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -64.2 -31.85 73.21 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.93 1.394 . . . . 1.0 113.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.12 -34.32 68.49 Favored 'General case' 0 C--N 1.385 2.115 0 O-C-N 125.333 1.646 . . . . 1.0 113.678 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -85.2 -40.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 O-C-N 125.518 1.762 . . . . 1.0 111.983 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.75 -25.38 64.83 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 126.68 2.488 . . . . 1.0 113.774 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -88.29 -35.26 17.34 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.115 2.134 . . . . 1.0 115.199 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -69.5 -19.28 63.73 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 113.851 -1.522 . . . . 1.0 113.23 167.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 6.9 44.05 Favored 'General case' 0 C--O 1.276 2.48 0 CA-C-N 113.313 -1.767 . . . . 1.0 113.012 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.18 34.46 89.17 Favored Glycine 0 C--N 1.391 3.631 0 CA-C-O 117.864 -1.52 . . . . 1.0 114.474 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 mtm -120.76 147.69 44.98 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 125.044 1.085 . . . . 1.0 108.964 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 114.527 -1.215 . . . . 1.0 110.835 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -98.86 127.98 44.93 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 124.887 1.367 . . . . 1.0 110.213 176.382 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 126.9 53.51 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.541 1.151 . . . . 1.0 111.061 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -111.35 132.19 60.57 Favored 'Isoleucine or valine' 0 C--O 1.269 2.118 0 O-C-N 124.943 1.402 . . . . 1.0 108.962 -178.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.58 135.19 46.61 Favored Pre-proline 0 C--O 1.27 2.146 0 O-C-N 125.872 1.982 . . . . 1.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.97 126.91 14.44 Favored 'Trans proline' 1 C--N 1.418 4.229 0 C-N-CA 122.189 1.926 . . . . 1.0 115.157 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.14 58.26 Favored 'General case' 0 C--O 1.259 1.581 0 CA-C-N 110.938 -2.846 . . . . 1.0 109.425 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 76' ' ' VAL . 1.8 tt0 -136.29 148.12 47.81 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.186 0.929 . . . . 1.0 110.882 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 64.5 m -86.99 121.46 29.49 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 124.888 1.367 . . . . 1.0 108.586 172.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -88.71 -5.4 58.13 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.692 1.367 . . . . 1.0 114.692 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -95.67 -50.23 5.03 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 124.175 0.922 . . . . 1.0 113.411 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -95.64 -19.44 19.74 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 125.882 1.989 . . . . 1.0 113.155 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.33 -18.67 57.05 Favored Glycine 0 C--N 1.379 2.937 0 O-C-N 125.651 1.844 . . . . 1.0 114.123 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.02 132.84 43.23 Favored 'General case' 0 C--N 1.406 3.032 0 O-C-N 126.553 1.972 . . . . 1.0 111.512 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 69' ' ' GLN . 13.9 p -104.1 131.86 51.93 Favored 'Isoleucine or valine' 0 C--O 1.26 1.639 0 CA-C-N 113.586 -1.643 . . . . 1.0 110.029 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.77 149.85 23.75 Favored 'General case' 0 C--O 1.259 1.563 0 O-C-N 125.439 1.712 . . . . 1.0 111.298 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 146.43 54.67 Favored 'General case' 0 C--O 1.262 1.714 0 CA-C-N 114.562 -1.199 . . . . 1.0 110.584 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.06 117.7 9.48 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.675 1.235 . . . . 1.0 110.796 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.5 178.19 5.53 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 113.358 -1.747 . . . . 1.0 110.088 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.576 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -106.58 -80.82 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.738 0 CA-C-N 113.817 -1.538 . . . . 1.0 109.678 -179.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.576 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.8 m-80 -63.18 143.45 57.78 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 124.577 1.173 . . . . 1.0 108.782 171.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.1 147.2 33.78 Favored Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 124.859 1.349 . . . . 1.0 111.363 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -79.31 159.62 26.18 Favored 'Trans proline' 1 C--N 1.414 4.01 0 C-N-CA 121.893 1.729 . . . . 1.0 114.439 169.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 -21.84 22.5 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.815 1.322 . . . . 1.0 111.976 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -151.73 153.44 34.34 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 124.702 1.252 . . . . 1.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.256 1.441 0 O-C-N 125.376 1.672 . . . . 1.0 111.246 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.273 2.341 0 N-CA-C 114.013 1.116 . . . . 1.0 114.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 88.12 4.51 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 122.158 0.98 . . . . 1.0 111.698 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.29 144.01 30.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.572 0 CA-C-N 113.493 -1.685 . . . . 1.0 109.214 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.08 132.72 36.37 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 125.648 1.842 . . . . 1.0 109.786 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.22 139.54 48.85 Favored Pre-proline 0 C--O 1.262 1.726 0 O-C-N 124.13 0.894 . . . . 1.0 111.625 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.43 160.24 43.72 Favored 'Trans proline' 1 C--N 1.421 4.36 0 C-N-CA 121.651 1.567 . . . . 1.0 114.305 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -113.94 139.33 49.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 125.533 1.771 . . . . 1.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 65' ' ' ILE . 68.5 m-85 -115.86 129.55 56.46 Favored 'General case' 0 C--O 1.261 1.703 0 O-C-N 125.429 1.706 . . . . 1.0 110.147 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 15.6 mttt -139.76 151.81 46.1 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 124.785 1.303 . . . . 1.0 110.788 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.403 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.46 130.96 54.53 Favored 'General case' 0 C--O 1.272 2.241 0 O-C-N 125.007 1.442 . . . . 1.0 110.132 178.693 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.5 136.74 54.68 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 125.091 1.495 . . . . 1.0 110.439 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -97.83 119.81 37.1 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 125.561 1.788 . . . . 1.0 111.267 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 2 N--CA 1.559 4.985 0 C-N-CA 126.909 2.083 . . . . 1.0 111.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.506 2.356 0 N-CA-C 113.566 0.95 . . . . 1.0 113.566 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.21 56.9 Favored 'General case' 0 C--N 1.391 2.394 0 C-N-CA 126.569 1.948 . . . . 1.0 113.543 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -74.52 -42.37 59.01 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 126.115 1.766 . . . . 1.0 112.104 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -52.96 -39.53 63.01 Favored 'General case' 0 N--CA 1.538 3.952 0 O-C-N 124.903 1.377 . . . . 1.0 112.421 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.788 ' HA ' HD12 ' A' ' 16' ' ' ILE . 13.1 mtp180 -70.44 -35.97 73.67 Favored 'General case' 0 N--CA 1.526 3.345 0 C-N-CA 125.832 1.653 . . . . 1.0 112.283 172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -65.25 -33.69 76.58 Favored 'General case' 0 N--CA 1.523 3.188 0 O-C-N 125.41 1.694 . . . . 1.0 112.624 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -65.65 -37.62 87.04 Favored 'General case' 0 C--N 1.406 3.06 0 C-N-CA 127.27 2.228 . . . . 1.0 112.651 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.8 mt -62.88 -49.31 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.753 0 C-N-CA 126.033 1.733 . . . . 1.0 108.705 174.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -68.58 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.791 0 C-N-CA 125.863 1.665 . . . . 1.0 113.874 177.445 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.37 -41.74 8.86 Favored 'General case' 0 C--N 1.396 2.621 0 C-N-CA 125.27 1.428 . . . . 1.0 112.834 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.85 -30.0 21.78 Favored 'General case' 0 C--N 1.401 2.841 0 N-CA-C 114.935 1.457 . . . . 1.0 114.935 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 100' ' ' PHE . 4.3 mm? -80.52 -9.7 59.76 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -14.99 47.02 Favored 'General case' 0 C--N 1.413 3.366 0 C-N-CA 127.051 2.14 . . . . 1.0 112.407 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -99.82 -28.88 12.91 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.42 1.488 . . . . 1.0 112.294 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.95 175.96 35.85 Favored Glycine 0 C--N 1.385 3.297 0 O-C-N 124.923 1.389 . . . . 1.0 113.681 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.596 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.6 p-10 -107.31 126.77 52.87 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 124.668 1.187 . . . . 1.0 110.047 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 54.6 m-85 -135.65 140.16 44.31 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.933 1.693 . . . . 1.0 110.069 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -77.23 161.74 71.85 Favored Pre-proline 0 N--CA 1.507 2.384 0 CA-C-O 115.783 -2.056 . . . . 1.0 112.288 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -50.32 -49.28 16.87 Favored 'Trans proline' 2 C--N 1.467 6.785 0 C-N-CA 123.657 2.904 . . . . 1.0 114.831 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.0 p -59.27 -34.02 71.75 Favored 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 125.159 1.383 . . . . 1.0 113.628 173.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 5.5 mt-10 -70.98 -35.29 72.07 Favored 'General case' 0 N--CA 1.53 3.574 0 C-N-CA 125.567 1.547 . . . . 1.0 111.265 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -9.58 47.66 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 125.575 1.797 . . . . 1.0 114.533 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.0 -33.9 10.63 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 127.23 2.212 . . . . 1.0 111.162 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.41 3.227 0 C-N-CA 126.6 1.96 . . . . 1.0 111.235 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.18 77.43 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.242 0 C-N-CA 127.253 2.221 . . . . 1.0 107.356 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.254 0 C-N-CA 129.104 2.962 . . . . 1.0 111.963 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 113.926 1.084 . . . . 1.0 113.926 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -71.94 -61.76 1.67 Allowed 'General case' 0 C--N 1.399 2.753 0 C-N-CA 125.87 1.668 . . . . 1.0 114.779 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.7 mttt -73.8 -33.17 64.09 Favored 'General case' 0 N--CA 1.52 3.068 0 C-N-CA 126.152 1.781 . . . . 1.0 114.442 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.5 -42.25 94.66 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.282 0 C-N-CA 125.85 1.66 . . . . 1.0 110.441 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.259 0.1 OUTLIER -69.75 -39.55 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.373 0 O-C-N 125.547 1.78 . . . . 1.0 112.39 177.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.632 ' HA ' HD12 ' A' ' 49' ' ' LEU . 18.6 mt -62.17 -39.64 93.33 Favored 'General case' 0 N--CA 1.517 2.918 0 C-N-CA 127.367 2.267 . . . . 1.0 113.059 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.12 -30.01 63.31 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 125.282 1.433 . . . . 1.0 111.582 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.42 -34.2 77.42 Favored 'General case' 0 N--CA 1.521 3.109 0 C-N-CA 125.617 1.567 . . . . 1.0 111.176 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 46' ' ' LEU . 7.7 mt -67.18 -34.6 77.87 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.972 1.709 . . . . 1.0 113.735 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.65 -36.85 85.18 Favored 'General case' 0 N--CA 1.523 3.194 0 C-N-CA 126.646 1.979 . . . . 1.0 112.434 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -44.5 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.79 0 C-N-CA 126.985 2.114 . . . . 1.0 111.949 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mt -65.78 -42.14 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.985 0 C-N-CA 125.583 1.553 . . . . 1.0 110.917 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -32.68 66.29 Favored 'General case' 0 N--CA 1.532 3.641 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -74.41 -36.06 63.46 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 125.319 1.448 . . . . 1.0 113.548 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -80.21 -39.0 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.486 0 O-C-N 124.721 1.263 . . . . 1.0 109.487 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.4 71.27 Favored 'General case' 0 C--N 1.413 3.354 0 N-CA-C 116.318 1.97 . . . . 1.0 116.318 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -34.06 22.57 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 124.859 1.264 . . . . 1.0 109.952 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -68.77 -29.87 68.35 Favored 'General case' 0 N--CA 1.535 3.786 0 O-C-N 126.228 2.205 . . . . 1.0 112.474 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.75 5.07 33.97 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 125.931 2.019 . . . . 1.0 112.45 175.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.17 35.54 91.68 Favored Glycine 0 C--N 1.397 3.966 0 C-N-CA 125.5 1.524 . . . . 1.0 116.301 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.3 mtt -120.23 143.22 48.4 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 126.696 1.998 . . . . 1.0 109.691 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.02 124.51 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 124.656 1.222 . . . . 1.0 111.672 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.83 122.98 44.35 Favored 'General case' 0 C--N 1.376 1.736 0 O-C-N 125.623 1.827 . . . . 1.0 109.528 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.78 125.09 51.57 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 125.631 1.832 . . . . 1.0 109.748 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -105.05 127.36 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.684 -2.053 . . . . 1.0 107.3 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.99 130.62 72.22 Favored Pre-proline 0 CA--C 1.583 2.227 0 O-C-N 125.393 1.683 . . . . 1.0 110.772 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.78 123.53 11.8 Favored 'Trans proline' 1 C--N 1.453 6.066 0 C-N-CA 123.001 2.467 . . . . 1.0 116.472 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.39 139.18 58.55 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 112.936 -1.938 . . . . 1.0 109.844 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG3' HG13 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -138.29 147.22 43.38 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 113.271 0.841 . . . . 1.0 113.271 -172.423 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -91.01 117.69 29.78 Favored 'General case' 0 C--N 1.384 2.072 0 O-C-N 125.323 1.639 . . . . 1.0 107.154 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -88.19 -10.87 48.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.119 1.768 . . . . 1.0 114.931 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.27 -45.61 7.76 Favored 'General case' 0 C--N 1.38 1.895 0 C-N-CA 125.471 1.508 . . . . 1.0 113.454 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.46 -27.29 15.47 Favored 'General case' 0 C--N 1.386 2.19 0 O-C-N 125.081 1.488 . . . . 1.0 113.38 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.77 -20.98 43.97 Favored Glycine 0 C--N 1.378 2.886 0 O-C-N 125.146 1.529 . . . . 1.0 114.036 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.01 125.48 10.58 Favored 'General case' 0 C--N 1.402 2.85 0 C-N-CA 125.864 1.665 . . . . 1.0 113.886 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' HG3' ' A' ' 69' ' ' GLN . 3.2 t -100.61 120.66 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 125.707 1.88 . . . . 1.0 109.088 -177.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -103.9 147.6 27.14 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 126.957 2.66 . . . . 1.0 110.538 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.79 138.81 58.17 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 124.127 0.971 . . . . 1.0 113.174 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.18 109.8 0.59 Allowed 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.422 1.489 . . . . 1.0 112.74 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -118.74 170.49 8.94 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.708 -2.042 . . . . 1.0 113.157 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.426 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -100.72 -88.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 CA-C-N 112.864 -1.971 . . . . 1.0 106.491 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.426 ' H ' HD12 ' A' ' 81' ' ' ILE . 7.9 p30 -57.04 144.91 32.43 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-O 117.573 -1.203 . . . . 1.0 110.717 173.55 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.59 131.54 22.84 Favored Pre-proline 0 N--CA 1.516 2.832 0 CA-C-O 117.521 -1.228 . . . . 1.0 110.561 -174.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -70.61 139.28 36.95 Favored 'Trans proline' 1 C--N 1.462 6.507 0 C-N-CA 123.416 2.744 . . . . 1.0 112.447 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 m -66.71 -32.45 73.76 Favored 'General case' 0 N--CA 1.522 3.164 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -151.14 121.24 7.19 Favored 'General case' 0 C--N 1.386 2.156 0 C-N-CA 126.01 1.724 . . . . 1.0 110.612 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 CA--C 1.619 3.611 0 CA-C-O 115.075 -2.393 . . . . 1.0 110.905 172.944 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 CA--C 1.575 1.932 0 N-CA-C 112.167 0.432 . . . . 1.0 112.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -107.71 90.42 3.29 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.013 1.725 . . . . 1.0 107.763 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.78 143.77 39.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.557 0 CA-C-N 111.63 -2.532 . . . . 1.0 106.457 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -84.96 129.08 34.86 Favored 'General case' 0 C--N 1.382 2.013 0 C-N-CA 124.935 1.294 . . . . 1.0 110.052 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 133.54 64.28 Favored Pre-proline 0 CA--C 1.574 1.892 0 O-C-N 124.567 1.167 . . . . 1.0 112.353 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.29 153.15 76.15 Favored 'Trans proline' 1 C--N 1.446 5.695 0 C-N-CA 124.025 3.15 . . . . 1.0 114.621 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -113.64 132.58 55.71 Favored 'General case' 0 C--N 1.385 2.113 0 C-N-CA 124.666 1.186 . . . . 1.0 109.531 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PHE . . . . . 0.459 ' O ' HD12 ' A' ' 20' ' ' LEU . 97.8 m-85 -112.69 124.21 52.06 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 125.79 1.932 . . . . 1.0 109.236 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.596 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 4.8 mttt -134.71 148.67 50.35 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.222 1.409 . . . . 1.0 110.697 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.43 128.92 54.47 Favored 'General case' 0 C--O 1.263 1.793 0 C-N-CA 124.947 1.299 . . . . 1.0 109.888 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.71 129.6 55.36 Favored 'General case' 0 C--O 1.261 1.666 0 O-C-N 125.369 1.668 . . . . 1.0 110.667 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -95.1 116.87 29.28 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 125.685 1.865 . . . . 1.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 2 N--CA 1.559 4.989 0 C-N-CA 126.987 2.115 . . . . 1.0 111.864 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 112.944 0.72 . . . . 1.0 112.944 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.46 -27.17 37.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 124.727 1.267 . . . . 1.0 113.189 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -82.77 -34.65 27.02 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 124.517 1.136 . . . . 1.0 112.778 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -59.31 -36.98 76.62 Favored 'General case' 0 C--N 1.382 2.015 0 O-C-N 126.509 2.381 . . . . 1.0 112.183 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.781 ' HA ' HD12 ' A' ' 16' ' ' ILE . 56.3 mtt180 -70.95 -35.36 72.15 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 125.11 1.506 . . . . 1.0 112.124 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 17' ' ' ILE . 20.2 mt-10 -65.98 -32.6 74.17 Favored 'General case' 0 C--N 1.37 1.476 0 O-C-N 125.816 1.948 . . . . 1.0 112.448 175.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.42 -29.27 66.96 Favored 'General case' 0 C--N 1.379 1.854 0 O-C-N 124.232 0.958 . . . . 1.0 112.982 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.5 mt -67.38 -45.9 84.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 O-C-N 124.443 1.089 . . . . 1.0 111.173 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -79.59 2.71 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 O-C-N 124.317 1.011 . . . . 1.0 113.285 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -109.15 -40.04 5.08 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 115.485 -0.78 . . . . 1.0 112.757 -175.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -20.01 24.37 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 124.823 1.327 . . . . 1.0 112.999 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.99 -9.31 58.18 Favored 'General case' 0 C--O 1.263 1.787 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -8.87 55.03 Favored 'General case' 0 C--N 1.39 2.338 0 C-N-CA 124.299 1.04 . . . . 1.0 112.358 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -104.33 -26.03 12.63 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.84 1.338 . . . . 1.0 113.361 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.15 -174.38 33.87 Favored Glycine 0 C--O 1.259 1.697 0 O-C-N 124.508 1.13 . . . . 1.0 112.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.72 132.22 54.38 Favored 'General case' 0 C--O 1.26 1.64 0 C-N-CA 122.601 0.36 . . . . 1.0 110.294 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 39.0 m-85 -140.05 142.59 36.16 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-N 115.304 -0.862 . . . . 1.0 109.9 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 160.33 77.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 CA-C-O 117.627 -1.177 . . . . 1.0 110.612 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -53.13 -43.23 58.82 Favored 'Trans proline' 0 C--N 1.414 3.993 0 C-N-CA 122.792 2.328 . . . . 1.0 115.348 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -63.57 -29.85 71.05 Favored 'General case' 0 C--N 1.39 2.328 0 O-C-N 124.613 1.196 . . . . 1.0 111.909 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 3.4 mt-10 -76.64 -37.21 56.68 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.469 1.73 . . . . 1.0 111.9 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.63 -3.49 12.08 Favored 'General case' 0 C--N 1.382 2.008 0 O-C-N 126.194 2.184 . . . . 1.0 111.76 171.266 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.96 -28.31 12.82 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 124.9 1.375 . . . . 1.0 111.71 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -64.68 -45.95 84.48 Favored 'General case' 0 C--N 1.384 2.076 0 O-C-N 124.622 1.201 . . . . 1.0 112.001 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -79.86 77.34 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.92 0 C-N-CA 124.328 1.051 . . . . 1.0 109.779 174.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.355 0 O-C-N 122.048 -0.407 . . . . 1.0 110.79 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 45' ' ' ILE . 15.3 p . . . . . 0 C--O 1.247 0.945 0 N-CA-C 112.332 0.493 . . . . 1.0 112.332 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.46 -42.0 96.2 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.4 1.063 . . . . 1.0 113.324 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -72.92 -28.11 62.26 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.341 1.651 . . . . 1.0 113.219 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.03 -42.73 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 125.018 1.449 . . . . 1.0 111.601 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 41' ' ' SER . 18.0 mm -74.06 -39.08 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 125.36 1.662 . . . . 1.0 112.284 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.3 mt -64.2 -34.88 79.1 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 125.538 1.773 . . . . 1.0 112.44 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.73 -26.89 57.89 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 125.766 1.916 . . . . 1.0 111.312 173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.396 2.591 0 O-C-N 124.64 1.213 . . . . 1.0 111.729 173.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.94 -32.68 74.1 Favored 'General case' 0 C--N 1.377 1.794 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.17 -36.19 82.79 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 126.72 2.512 . . . . 1.0 112.635 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -74.93 -44.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 124.86 1.264 . . . . 1.0 112.095 179.171 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' A' ' 55' ' ' ILE . 6.8 mt -72.64 -32.81 42.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 125.266 1.604 . . . . 1.0 111.713 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -64.31 -31.78 73.12 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.121 1.513 . . . . 1.0 112.795 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.02 -33.98 70.88 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 124.892 1.37 . . . . 1.0 112.935 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 52' ' ' ILE . 2.6 mt -84.3 -39.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 125.024 1.453 . . . . 1.0 111.534 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -59.17 -26.6 64.91 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 125.878 1.986 . . . . 1.0 113.574 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -88.65 -35.7 16.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 125.908 2.005 . . . . 1.0 115.102 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.06 -20.11 63.24 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 114.128 -1.396 . . . . 1.0 111.792 167.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -105.14 11.26 33.38 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-N 114.012 -1.449 . . . . 1.0 112.903 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.35 -60.51 2.35 Favored Glycine 0 C--N 1.375 2.699 0 CA-C-O 118.661 -1.077 . . . . 1.0 115.294 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ALA . 20.5 mtm -39.54 115.76 0.54 Allowed 'General case' 0 C--N 1.391 2.383 0 O-C-N 127.526 2.545 . . . . 1.0 111.252 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.56 134.92 42.06 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 CA-C-N 114.529 -1.214 . . . . 1.0 111.174 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.626 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -93.76 126.93 39.21 Favored 'General case' 0 C--O 1.259 1.571 0 O-C-N 124.978 1.424 . . . . 1.0 110.395 177.262 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.76 128.67 47.99 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 124.237 0.96 . . . . 1.0 111.03 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.39 127.69 68.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 135.63 44.74 Favored Pre-proline 0 C--N 1.366 1.291 0 O-C-N 125.342 1.651 . . . . 1.0 110.591 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -68.43 124.89 12.13 Favored 'Trans proline' 0 C--N 1.404 3.452 0 C-N-CA 122.26 1.973 . . . . 1.0 116.073 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 98' ' ' PRO . . . -69.72 141.09 53.54 Favored 'General case' 0 C--N 1.363 1.158 0 CA-C-N 111.116 -2.765 . . . . 1.0 110.004 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.77 158.12 44.63 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.318 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 93.1 m -89.33 125.34 35.08 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 125.21 1.569 . . . . 1.0 108.857 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -91.22 -4.33 56.12 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 113.886 1.069 . . . . 1.0 113.886 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -95.54 -49.15 5.53 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 113.367 0.877 . . . . 1.0 113.367 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.2 p -95.5 -20.75 18.78 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 125.384 1.677 . . . . 1.0 112.817 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.97 -18.33 57.71 Favored Glycine 0 C--N 1.374 2.69 0 O-C-N 125.026 1.454 . . . . 1.0 113.609 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.54 131.42 34.01 Favored 'General case' 0 C--N 1.395 2.584 0 O-C-N 125.63 1.429 . . . . 1.0 111.835 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.2 127.42 62.97 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 O-C-N 125.434 1.709 . . . . 1.0 110.147 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -96.21 149.68 21.38 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.589 1.806 . . . . 1.0 111.22 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.46 148.15 52.28 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 124.379 1.049 . . . . 1.0 110.55 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.25 110.38 2.2 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 124.499 1.124 . . . . 1.0 110.979 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 177.51 5.38 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 113.813 -1.54 . . . . 1.0 110.006 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.55 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -105.64 -82.37 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 CA-C-N 113.934 -1.484 . . . . 1.0 109.755 -179.089 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.55 ' H ' HD12 ' A' ' 81' ' ' ILE . 18.9 m-80 -64.66 146.82 54.15 Favored 'General case' 0 C--O 1.27 2.177 0 O-C-N 124.592 1.183 . . . . 1.0 108.978 172.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mt -112.41 137.3 21.54 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.352 1.033 . . . . 1.0 110.504 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -73.27 152.43 50.05 Favored 'Trans proline' 0 C--N 1.411 3.822 0 C-N-CA 121.855 1.703 . . . . 1.0 114.245 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.5 m -84.2 -20.28 32.6 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 114.291 -1.322 . . . . 1.0 112.335 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -143.73 144.25 31.76 Favored 'General case' 0 C--O 1.261 1.679 0 O-C-N 124.286 0.991 . . . . 1.0 110.788 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.255 1.351 0 O-C-N 124.332 1.02 . . . . 1.0 110.26 176.732 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--O 1.259 1.603 0 N-CA-C 113.803 1.038 . . . . 1.0 113.803 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.76 88.04 6.52 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-O 121.98 0.895 . . . . 1.0 112.294 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.2 138.52 45.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 CA-C-N 114.134 -1.394 . . . . 1.0 109.427 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.82 132.96 37.71 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 125.582 1.801 . . . . 1.0 109.224 174.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.65 142.31 57.17 Favored Pre-proline 0 C--N 1.365 1.254 0 O-C-N 123.654 0.596 . . . . 1.0 112.041 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.427 ' HG3' ' HB2' ' A' ' 68' ' ' ALA . 38.7 Cg_exo -71.28 163.28 39.66 Favored 'Trans proline' 0 C--N 1.411 3.831 0 C-N-CA 121.895 1.73 . . . . 1.0 115.206 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -110.51 133.86 52.9 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 114.032 -1.44 . . . . 1.0 109.937 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -116.59 126.48 53.33 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 124.946 1.404 . . . . 1.0 110.18 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -140.24 156.77 46.35 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 124.595 1.184 . . . . 1.0 111.122 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.626 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -122.15 131.17 53.82 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 124.226 0.953 . . . . 1.0 110.001 177.817 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.83 141.09 51.59 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 124.456 1.097 . . . . 1.0 110.38 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -94.41 117.65 30.43 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.149 1.531 . . . . 1.0 111.486 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 5.015 0 C-N-CA 126.937 2.095 . . . . 1.0 111.95 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.006 -0.997 . . . . 1.0 113.674 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.595 1.184 . . . . 1.0 111.347 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -113.48 136.07 53.2 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 125.333 1.646 . . . . 1.0 111.254 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.84 128.14 48.34 Favored 'General case' 0 C--N 1.374 1.65 0 O-C-N 125.152 1.532 . . . . 1.0 111.471 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 139.04 47.43 Favored 'General case' 0 C--O 1.257 1.471 0 O-C-N 125.561 1.788 . . . . 1.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -99.07 131.15 45.33 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 125.005 1.441 . . . . 1.0 111.702 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.82 127.89 53.39 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 125.548 1.78 . . . . 1.0 111.676 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -112.58 177.47 18.42 Favored Glycine 0 C--N 1.361 1.952 0 O-C-N 125.666 1.854 . . . . 1.0 112.894 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.3 p -81.59 -31.52 32.49 Favored 'General case' 0 N--CA 1.509 2.484 0 C-N-CA 124.945 1.298 . . . . 1.0 113.819 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.91 -36.91 59.27 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 126.036 1.734 . . . . 1.0 114.395 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -79.44 -43.85 22.5 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.559 1.543 . . . . 1.0 112.443 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -51.54 -38.82 56.03 Favored 'General case' 0 N--CA 1.532 3.632 0 O-C-N 124.914 1.384 . . . . 1.0 113.334 177.427 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 16' ' ' ILE . 3.9 mtp180 -71.4 -38.23 71.48 Favored 'General case' 0 C--N 1.41 3.239 0 C-N-CA 125.623 1.569 . . . . 1.0 111.628 174.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.0 -32.55 73.03 Favored 'General case' 0 N--CA 1.517 2.92 0 O-C-N 125.342 1.651 . . . . 1.0 111.768 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -72.05 -35.57 69.37 Favored 'General case' 0 C--N 1.402 2.849 0 C-N-CA 127.307 2.243 . . . . 1.0 113.592 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.4 mt -59.55 -48.92 85.58 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.237 0 C-N-CA 126.255 1.822 . . . . 1.0 109.076 175.572 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -4.2 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.099 0 C-N-CA 126.797 2.039 . . . . 1.0 114.09 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -96.81 -42.26 8.05 Favored 'General case' 0 C--N 1.402 2.859 0 C-N-CA 125.603 1.561 . . . . 1.0 111.859 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.35 -35.62 23.1 Favored 'General case' 0 C--N 1.404 2.96 0 C-N-CA 125.223 1.409 . . . . 1.0 113.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 30' ' ' LEU . 23.6 mt -70.94 -11.13 60.79 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.89 1.811 . . . . 1.0 115.89 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.47 -22.94 23.4 Favored 'General case' 0 C--N 1.421 3.688 0 C-N-CA 127.82 2.448 . . . . 1.0 113.054 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.05 -28.43 15.11 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.618 1.567 . . . . 1.0 112.34 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.61 -169.39 17.84 Favored Glycine 0 C--N 1.385 3.304 0 O-C-N 124.91 1.382 . . . . 1.0 113.4 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.583 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.8 p-10 -122.57 127.82 49.94 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.079 1.351 . . . . 1.0 109.075 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 44.1 m-85 -136.71 140.98 43.05 Favored 'General case' 0 C--O 1.258 1.548 0 C-N-CA 125.909 1.684 . . . . 1.0 109.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -75.1 158.81 83.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 CA-C-O 115.502 -2.189 . . . . 1.0 111.594 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.01 -47.74 22.46 Favored 'Trans proline' 1 C--N 1.465 6.664 0 C-N-CA 123.242 2.628 . . . . 1.0 115.043 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 m -60.95 -33.88 73.87 Favored 'General case' 0 C--N 1.396 2.609 0 C-N-CA 125.612 1.565 . . . . 1.0 113.997 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -71.81 -34.61 69.5 Favored 'General case' 0 N--CA 1.527 3.388 0 C-N-CA 126.221 1.808 . . . . 1.0 111.55 176.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -69.2 -3.77 14.97 Favored 'General case' 0 N--CA 1.524 3.244 0 O-C-N 125.219 1.574 . . . . 1.0 114.681 171.33 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.02 -29.33 10.97 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 127.048 2.139 . . . . 1.0 112.469 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -42.84 80.86 Favored 'General case' 0 C--N 1.408 3.112 0 C-N-CA 125.007 1.323 . . . . 1.0 112.561 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.08 76.92 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.608 3.205 0 C-N-CA 126.478 1.911 . . . . 1.0 108.054 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 153.66 -160.41 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.578 0 C-N-CA 129.942 3.297 . . . . 1.0 110.662 -175.172 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.73 120.93 43.63 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 127.083 2.153 . . . . 1.0 108.068 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mtm -81.66 -31.59 32.24 Favored 'General case' 0 N--CA 1.515 2.806 0 N-CA-C 115.034 1.494 . . . . 1.0 115.034 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.97 -72.79 0.05 Allowed 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 127.89 2.476 . . . . 1.0 113.217 178.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.67 -122.18 2.0 Favored Glycine 0 C--N 1.383 3.194 0 O-C-N 125.021 1.451 . . . . 1.0 110.64 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -117.91 140.02 50.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 125.475 1.338 . . . . 1.0 111.755 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.3 80.14 0.61 Allowed Glycine 0 C--N 1.371 2.489 0 O-C-N 125.448 1.717 . . . . 1.0 111.722 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 p -125.41 -34.34 2.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 125.81 1.535 . . . . 1.0 113.174 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -71.7 -54.17 11.15 Favored 'General case' 0 N--CA 1.516 2.858 0 C-N-CA 126.293 1.837 . . . . 1.0 114.65 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -72.34 -33.93 67.67 Favored 'General case' 0 N--CA 1.522 3.169 0 C-N-CA 125.519 1.528 . . . . 1.0 114.103 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.49 -46.28 83.63 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.015 0 O-C-N 125.217 1.573 . . . . 1.0 110.473 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.273 0.1 OUTLIER -70.13 -37.77 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.723 0 O-C-N 125.61 1.819 . . . . 1.0 112.277 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.93 -35.22 79.49 Favored 'General case' 0 C--N 1.397 2.653 0 C-N-CA 127.196 2.199 . . . . 1.0 114.639 177.245 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.25 -29.47 57.49 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.018 1.327 . . . . 1.0 110.788 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 52' ' ' ILE . 7.7 m-20 -65.43 -34.49 78.41 Favored 'General case' 0 C--N 1.408 3.132 0 C-N-CA 126.174 1.79 . . . . 1.0 111.454 171.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 46' ' ' LEU . 5.5 mt -66.22 -35.89 81.6 Favored 'General case' 0 C--N 1.408 3.12 0 C-N-CA 126.2 1.8 . . . . 1.0 113.24 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.86 -36.65 84.63 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 126.441 1.896 . . . . 1.0 112.062 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.582 HG11 HH21 ' A' ' 13' ' ' ARG . 1.4 t -76.41 -41.0 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.081 0 C-N-CA 126.615 1.966 . . . . 1.0 109.652 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 48' ' ' ASP . 2.8 mt -67.61 -44.67 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 125.825 1.65 . . . . 1.0 111.481 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.1 m -56.51 -30.93 63.6 Favored 'General case' 0 N--CA 1.537 3.913 0 N-CA-C 115.873 1.805 . . . . 1.0 115.873 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -77.54 -36.84 51.92 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 125.765 1.626 . . . . 1.0 113.985 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.24 -36.31 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 0 C-N-CA 125.332 1.453 . . . . 1.0 113.373 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.54 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.45 -32.05 72.01 Favored 'General case' 0 C--N 1.408 3.118 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -82.82 -27.82 30.61 Favored 'General case' 0 N--CA 1.526 3.367 0 O-C-N 124.832 1.333 . . . . 1.0 111.225 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -75.03 -29.69 60.86 Favored 'General case' 0 N--CA 1.522 3.143 0 O-C-N 125.941 2.025 . . . . 1.0 113.033 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 12.4 pt-20 -87.45 6.53 33.53 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 125.37 1.669 . . . . 1.0 111.938 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.34 31.15 76.33 Favored Glycine 0 C--N 1.387 3.412 0 CA-C-O 118.03 -1.428 . . . . 1.0 115.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.51 144.03 44.02 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.703 2.001 . . . . 1.0 110.122 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.28 126.98 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 124.457 1.098 . . . . 1.0 111.608 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.575 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -98.36 123.88 42.72 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 125.461 1.725 . . . . 1.0 109.754 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.74 122.26 45.71 Favored 'General case' 0 C--O 1.26 1.657 0 O-C-N 125.42 1.7 . . . . 1.0 109.615 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -111.47 126.49 68.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 O-C-N 125.961 2.038 . . . . 1.0 106.763 -179.304 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -82.02 130.68 59.36 Favored Pre-proline 0 CA--C 1.578 2.023 0 O-C-N 125.429 1.706 . . . . 1.0 109.966 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.81 125.86 16.92 Favored 'Trans proline' 1 C--N 1.453 6.027 0 C-N-CA 122.958 2.439 . . . . 1.0 115.742 -175.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 140.68 58.21 Favored 'General case' 0 N--CA 1.51 2.575 0 CA-C-N 113.387 -1.733 . . . . 1.0 109.593 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -139.1 152.6 47.63 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.574 0.953 . . . . 1.0 113.574 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.4 t -86.82 116.22 24.76 Favored 'General case' 0 C--N 1.385 2.11 0 O-C-N 125.417 1.698 . . . . 1.0 106.867 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -83.26 -11.65 57.56 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 127.227 2.211 . . . . 1.0 115.092 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -90.83 -45.19 8.95 Favored 'General case' 0 C--N 1.381 1.945 0 C-N-CA 125.515 1.526 . . . . 1.0 113.499 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.75 -20.16 17.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 125.476 1.735 . . . . 1.0 114.48 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.25 -18.86 56.57 Favored Glycine 0 C--N 1.388 3.454 0 O-C-N 124.27 0.981 . . . . 1.0 113.471 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.3 131.91 33.49 Favored 'General case' 0 C--N 1.409 3.194 0 O-C-N 125.562 1.39 . . . . 1.0 112.016 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.98 124.94 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 126.021 2.076 . . . . 1.0 110.006 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -99.24 146.93 25.68 Favored 'General case' 0 C--N 1.37 1.468 0 O-C-N 126.032 2.082 . . . . 1.0 111.256 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -64.92 140.74 58.9 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.287 1.035 . . . . 1.0 112.595 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.83 119.91 5.15 Favored 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 125.61 1.564 . . . . 1.0 112.034 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -127.07 163.71 23.16 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 125.024 1.453 . . . . 1.0 112.143 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.603 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -99.96 -87.18 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.578 0 CA-C-N 112.131 -2.304 . . . . 1.0 106.63 178.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.603 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.5 t30 -59.23 139.51 56.88 Favored 'General case' 0 N--CA 1.522 3.158 0 O-C-N 124.3 1.0 . . . . 1.0 110.398 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -95.97 132.21 27.48 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-O 116.621 -1.656 . . . . 1.0 114.885 -172.061 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.51 144.02 31.62 Favored 'Trans proline' 1 C--N 1.455 6.15 0 C-N-CA 122.917 2.411 . . . . 1.0 112.18 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 m -80.36 -20.62 43.71 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 124.162 0.914 . . . . 1.0 113.107 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -145.51 148.64 33.44 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 127.346 2.259 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.04 127.11 88.62 Favored Pre-proline 0 CA--C 1.607 3.15 0 CA-C-O 116.843 -1.551 . . . . 1.0 112.912 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.13 -21.96 54.97 Favored 'Trans proline' 1 C--N 1.463 6.567 0 C-N-CA 123.295 2.663 . . . . 1.0 116.738 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -93.25 -55.85 3.17 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 125.636 1.835 . . . . 1.0 113.286 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.0 m -98.29 -130.56 0.2 Allowed 'General case' 0 C--N 1.397 2.651 0 O-C-N 124.447 1.092 . . . . 1.0 111.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -149.25 -14.57 0.3 Allowed 'General case' 0 C--N 1.4 2.781 0 C-N-CA 126.095 1.758 . . . . 1.0 113.096 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 m -64.46 135.21 55.85 Favored 'General case' 0 C--N 1.39 2.326 0 C-N-CA 126.861 2.064 . . . . 1.0 116.196 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.51 8.23 44.6 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 127.454 2.971 . . . . 1.0 111.936 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -98.09 86.35 3.68 Favored 'General case' 0 C--N 1.393 2.468 0 C-N-CA 125.992 1.717 . . . . 1.0 109.843 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.82 134.27 64.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 111.479 -2.601 . . . . 1.0 106.609 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.59 132.1 33.99 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 125.449 1.718 . . . . 1.0 108.629 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.13 132.28 82.55 Favored Pre-proline 0 C--N 1.382 2.011 0 CA-C-O 117.304 -1.331 . . . . 1.0 113.931 -176.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.81 155.73 47.44 Favored 'Trans proline' 1 C--N 1.46 6.418 0 C-N-CA 123.223 2.615 . . . . 1.0 114.375 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 87.8 mtt180 -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 124.584 1.178 . . . . 1.0 109.138 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -108.69 125.11 51.53 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 125.287 1.617 . . . . 1.0 110.175 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.583 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 19.9 mttt -138.27 149.3 45.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 125.183 1.552 . . . . 1.0 111.252 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.575 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -116.74 126.33 52.97 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 124.869 1.355 . . . . 1.0 109.355 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.36 131.13 55.64 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.127 1.517 . . . . 1.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -98.15 116.25 29.99 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 126.026 2.079 . . . . 1.0 111.953 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.1 mttt . . . . . 3 N--CA 1.588 6.446 0 C-N-CA 128.414 2.686 . . . . 1.0 112.4 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 112.466 0.543 . . . . 1.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -104.35 -33.49 8.62 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 124.307 1.004 . . . . 1.0 112.807 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -115.0 128.25 56.17 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 125.435 1.709 . . . . 1.0 110.461 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -120.86 140.17 52.16 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 124.646 1.216 . . . . 1.0 110.65 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -39.1 5.48 Favored 'General case' 0 CA--C 1.475 -1.914 0 CA-C-N 114.69 -1.141 . . . . 1.0 111.879 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 62.27 116.45 0.02 OUTLIER 'General case' 1 C--N 1.43 4.066 0 C-N-CA 125.431 1.493 . . . . 1.0 112.1 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -115.34 135.03 54.56 Favored 'General case' 0 C--O 1.263 1.788 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.793 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.14 -57.64 0.03 OUTLIER Glycine 0 CA--C 1.478 -2.245 0 O-C-N 125.348 1.655 . . . . 1.0 114.707 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m -80.4 -28.89 37.75 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.642 1.349 . . . . 1.0 114.642 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.61 -33.02 47.74 Favored 'General case' 0 C--N 1.376 1.75 0 O-C-N 124.884 1.365 . . . . 1.0 114.27 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -84.26 -26.32 28.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.86 -43.68 95.37 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 126.682 2.489 . . . . 1.0 114.417 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HA ' HD12 ' A' ' 16' ' ' ILE . 72.7 mtt180 -69.45 -38.75 77.92 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-N 113.931 -1.486 . . . . 1.0 114.063 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.09 -36.57 83.54 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 127.105 2.753 . . . . 1.0 112.113 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -67.6 -31.38 71.39 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 124.56 1.162 . . . . 1.0 113.428 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 13' ' ' ARG . 7.0 mt -65.23 -48.43 83.56 Favored 'Isoleucine or valine' 0 C--N 1.378 1.816 0 O-C-N 124.493 1.12 . . . . 1.0 111.574 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -76.54 -0.93 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.039 0 O-C-N 125.269 1.606 . . . . 1.0 114.08 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -98.25 -45.8 6.06 Favored 'General case' 0 C--N 1.39 2.326 0 CA-C-N 113.872 -1.513 . . . . 1.0 114.065 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -28.13 22.95 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 125.022 1.451 . . . . 1.0 113.627 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.1 -11.01 60.39 Favored 'General case' 0 C--N 1.399 2.729 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 -178.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -13.59 41.89 Favored 'General case' 0 C--N 1.424 3.836 0 C-N-CA 124.641 1.176 . . . . 1.0 112.029 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -101.1 -26.35 13.72 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 124.315 1.009 . . . . 1.0 113.366 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.86 -165.45 19.97 Favored Glycine 0 CA--C 1.482 -1.995 0 O-C-N 125.038 1.461 . . . . 1.0 112.244 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.87 134.64 55.03 Favored 'General case' 0 C--O 1.267 2.012 0 CA-C-O 121.449 0.642 . . . . 1.0 109.481 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 24.4 m-85 -142.3 144.27 33.17 Favored 'General case' 0 CA--C 1.469 -2.147 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.47 155.31 85.69 Favored Pre-proline 0 C--O 1.262 1.728 0 O-C-N 124.42 1.075 . . . . 1.0 110.246 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.6 ' HB3' ' HB ' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -53.48 -39.36 82.46 Favored 'Trans proline' 1 C--N 1.428 4.743 0 C-N-CA 122.934 2.423 . . . . 1.0 115.328 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.1 m -68.42 -28.47 67.1 Favored 'General case' 0 C--N 1.392 2.442 0 O-C-N 124.188 0.93 . . . . 1.0 113.147 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 19.7 mt-10 -74.89 -36.49 62.25 Favored 'General case' 0 C--N 1.396 2.614 0 O-C-N 125.229 1.581 . . . . 1.0 113.158 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -66.36 -64.01 0.95 Allowed 'General case' 0 C--N 1.368 1.404 0 O-C-N 127.721 3.138 . . . . 1.0 108.804 178.501 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -50.54 -20.29 1.13 Allowed 'General case' 0 C--N 1.389 2.317 0 C-N-CA 125.174 1.389 . . . . 1.0 114.03 174.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -73.04 -44.61 60.56 Favored 'General case' 0 C--N 1.427 3.954 0 C-N-CA 124.939 1.296 . . . . 1.0 111.785 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.1 tt -83.33 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.238 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -170.79 175.62 4.46 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-O 121.138 0.494 . . . . 1.0 110.874 -174.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.69 -4.45 33.65 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-N 113.745 -1.571 . . . . 1.0 111.857 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -110.74 145.11 38.65 Favored 'General case' 0 C--N 1.371 1.528 0 O-C-N 123.866 0.729 . . . . 1.0 111.518 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -109.03 137.4 47.0 Favored 'General case' 0 C--O 1.26 1.638 0 O-C-N 124.729 1.268 . . . . 1.0 109.844 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.66 160.75 29.48 Favored Glycine 0 C--O 1.26 1.76 0 O-C-N 125.044 1.465 . . . . 1.0 112.421 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -103.15 -41.76 5.98 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 118.077 -0.963 . . . . 1.0 112.348 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.91 93.36 0.59 Allowed Glycine 0 C--N 1.37 2.441 0 O-C-N 125.209 1.568 . . . . 1.0 110.602 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 45' ' ' ILE . 12.2 p -113.91 -16.02 12.27 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 95.9 mttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.752 1.221 . . . . 1.0 114.139 -177.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -71.22 -30.26 66.14 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 126.313 2.258 . . . . 1.0 112.804 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.53 -45.99 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 113.704 -1.589 . . . . 1.0 110.866 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.6 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 17.2 mm -74.05 -32.56 33.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 O-C-N 126.06 2.1 . . . . 1.0 112.366 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -65.95 -39.77 90.75 Favored 'General case' 0 CA--C 1.563 1.479 0 O-C-N 125.781 1.926 . . . . 1.0 112.49 178.209 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 14.7 mt-10 -76.95 -27.43 54.8 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 126.513 2.383 . . . . 1.0 111.732 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -64.56 -31.34 72.52 Favored 'General case' 0 C--N 1.401 2.808 0 O-C-N 124.908 1.38 . . . . 1.0 111.672 174.314 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -33.29 75.4 Favored 'General case' 0 C--N 1.385 2.145 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 95.6 mttt -63.06 -39.44 94.73 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 126.655 2.472 . . . . 1.0 113.423 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -79.6 -38.56 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.627 1.571 . . . . 1.0 112.972 178.273 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.7 -38.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 O-C-N 125.116 1.51 . . . . 1.0 112.763 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -60.69 -29.81 69.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.865 2.603 . . . . 1.0 114.157 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -73.61 -34.34 65.0 Favored 'General case' 0 C--N 1.39 2.358 0 O-C-N 124.572 1.17 . . . . 1.0 113.502 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt -85.31 -41.03 15.31 Favored 'Isoleucine or valine' 0 C--N 1.362 1.121 0 O-C-N 125.076 1.485 . . . . 1.0 111.242 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.91 63.59 Favored 'General case' 0 C--N 1.391 2.408 0 O-C-N 125.859 1.975 . . . . 1.0 114.455 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.27 -33.88 19.11 Favored 'General case' 0 C--N 1.399 2.729 0 O-C-N 126.31 2.256 . . . . 1.0 113.474 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.15 -19.08 60.68 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 128.207 3.442 . . . . 1.0 110.164 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.96 4.88 46.6 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 113.764 -1.562 . . . . 1.0 112.805 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.28 29.2 74.35 Favored Glycine 0 C--N 1.392 3.645 0 CA-C-N 115.014 -0.994 . . . . 1.0 114.758 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.9 mtm -113.51 149.94 33.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.595 0.758 . . . . 1.0 109.54 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.39 125.52 72.66 Favored 'Isoleucine or valine' 0 C--O 1.258 1.547 0 CA-C-N 114.846 -1.07 . . . . 1.0 111.18 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.1 126.62 46.36 Favored 'General case' 0 C--O 1.264 1.856 0 O-C-N 125.404 1.69 . . . . 1.0 110.009 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 128.96 54.87 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 124.735 1.272 . . . . 1.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.93 130.65 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 124.741 1.275 . . . . 1.0 107.891 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.99 134.99 55.56 Favored Pre-proline 0 C--N 1.378 1.811 0 O-C-N 125.513 1.758 . . . . 1.0 110.857 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.47 125.09 12.85 Favored 'Trans proline' 0 C--N 1.41 3.78 0 N-CA-C 117.338 2.015 . . . . 1.0 117.338 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 139.11 58.28 Favored 'General case' 0 C--O 1.272 2.267 0 CA-C-N 110.972 -2.831 . . . . 1.0 109.35 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.645 ' HG3' HG13 ' A' ' 76' ' ' VAL . 2.1 tt0 -136.48 150.08 48.51 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.784 -173.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.7 m -86.93 119.13 26.81 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.799 -1.926 . . . . 1.0 105.799 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -90.45 -1.85 57.92 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -97.61 -46.82 5.87 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.704 1.002 . . . . 1.0 113.704 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.01 -21.39 18.03 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 125.223 1.577 . . . . 1.0 113.47 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.46 -18.71 57.0 Favored Glycine 0 C--N 1.382 3.105 0 O-C-N 124.651 1.219 . . . . 1.0 113.627 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -53.17 134.25 38.98 Favored 'General case' 0 C--N 1.401 2.828 0 O-C-N 125.558 1.387 . . . . 1.0 112.495 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 69' ' ' GLN . 15.5 t -104.47 128.5 57.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 125.952 2.032 . . . . 1.0 109.496 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -99.48 148.75 23.92 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.453 1.721 . . . . 1.0 111.492 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -64.12 149.31 47.94 Favored 'General case' 0 C--O 1.277 2.517 0 O-C-N 125.073 1.483 . . . . 1.0 110.071 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 127.73 32.97 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 124.554 1.159 . . . . 1.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.56 167.77 21.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 114.285 -1.325 . . . . 1.0 111.091 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.446 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -103.59 -80.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.732 0 O-C-N 125.614 1.821 . . . . 1.0 109.55 179.421 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.4 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.4 m120 -61.31 144.1 54.52 Favored 'General case' 0 C--O 1.277 2.506 0 O-C-N 125.456 1.723 . . . . 1.0 107.141 174.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mt -104.47 135.4 19.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 124.674 1.234 . . . . 1.0 110.138 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -74.37 152.16 43.78 Favored 'Trans proline' 1 C--N 1.417 4.137 0 C-N-CA 122.131 1.887 . . . . 1.0 114.339 172.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.9 m -88.2 -24.73 23.2 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 125.361 1.663 . . . . 1.0 112.209 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -143.61 143.41 31.47 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 124.122 0.889 . . . . 1.0 110.322 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.4 t -72.19 135.42 82.29 Favored Pre-proline 0 C--N 1.388 2.262 0 CA-C-O 118.066 -0.969 . . . . 1.0 111.185 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.36 -18.94 15.53 Favored 'Trans proline' 1 C--N 1.415 4.035 0 N-CA-C 116.37 1.642 . . . . 1.0 116.37 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -92.14 -61.27 1.65 Allowed 'General case' 0 C--N 1.371 1.527 0 O-C-N 124.793 1.308 . . . . 1.0 111.434 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -137.1 -106.26 0.2 Allowed 'General case' 0 N--CA 1.42 -1.933 0 O-C-N 125.527 1.767 . . . . 1.0 111.758 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -139.79 144.27 37.29 Favored 'General case' 0 C--O 1.278 2.601 0 O-C-N 125.274 1.609 . . . . 1.0 111.43 -171.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 95' ' ' ILE . 74.3 p -174.71 76.77 0.03 OUTLIER 'General case' 0 C--O 1.28 2.66 0 CA-C-N 114.156 -1.384 . . . . 1.0 114.475 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -84.97 -20.37 30.69 Favored 'General case' 0 CA--C 1.593 2.631 0 CA-C-N 115.135 -0.939 . . . . 1.0 111.536 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.98 91.94 3.95 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 126.244 2.215 . . . . 1.0 110.344 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.79 150.48 29.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 CA-C-N 114.672 -1.149 . . . . 1.0 110.103 -177.373 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.08 132.4 34.8 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 125.049 1.468 . . . . 1.0 110.484 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.72 141.13 51.41 Favored Pre-proline 0 C--N 1.37 1.467 0 O-C-N 125.07 1.481 . . . . 1.0 111.324 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.22 157.61 48.85 Favored 'Trans proline' 1 C--N 1.417 4.159 0 C-N-CA 122.203 1.935 . . . . 1.0 115.477 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -107.93 136.79 47.05 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 125.778 1.924 . . . . 1.0 110.171 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -116.22 125.71 52.62 Favored 'General case' 0 CA--C 1.485 -1.556 0 O-C-N 125.096 1.498 . . . . 1.0 110.724 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -141.32 157.28 45.41 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 124.323 1.014 . . . . 1.0 110.533 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.45 129.89 55.64 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 124.068 0.855 . . . . 1.0 110.006 178.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.79 134.5 55.1 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.726 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -75.63 142.85 42.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 114.633 -1.167 . . . . 1.0 109.977 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 2 N--CA 1.564 5.243 0 C-N-CA 126.501 1.92 . . . . 1.0 110.491 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 1.983 0 N-CA-C 110.354 -0.239 . . . . 1.0 110.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -117.94 133.78 55.59 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -122.57 125.13 45.08 Favored 'General case' 0 C--O 1.269 2.122 0 CA-C-N 115.038 -0.983 . . . . 1.0 110.101 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -125.41 127.95 47.34 Favored 'General case' 0 C--O 1.262 1.739 0 O-C-N 124.988 1.43 . . . . 1.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -119.59 -51.58 2.27 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.821 -1.081 . . . . 1.0 111.679 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -129.6 150.07 51.09 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 124.669 1.231 . . . . 1.0 110.999 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.566 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 17.3 m-70 -92.5 -45.65 8.03 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 115.26 -0.882 . . . . 1.0 112.027 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.91 -90.97 0.82 Allowed Glycine 0 C--N 1.37 2.427 0 O-C-N 125.746 1.904 . . . . 1.0 113.615 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 m -84.58 -22.82 29.91 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.455 1.28 . . . . 1.0 114.455 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 7' ' ' HIS . . . -70.77 -33.69 71.04 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 p -84.25 -38.18 20.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 124.85 1.344 . . . . 1.0 113.591 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.58 -40.94 98.24 Favored 'General case' 0 C--N 1.396 2.599 0 O-C-N 126.258 2.224 . . . . 1.0 113.493 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 16' ' ' ILE . 83.5 mtt180 -70.86 -39.19 73.04 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.778 -1.555 . . . . 1.0 113.236 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.5 mt-10 -65.94 -34.33 77.87 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 126.787 2.554 . . . . 1.0 112.244 175.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.274 0.984 . . . . 1.0 113.329 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 13' ' ' ARG . 7.7 mt -65.49 -45.53 92.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 0 O-C-N 124.502 1.126 . . . . 1.0 111.716 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -78.4 3.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 O-C-N 125.026 1.454 . . . . 1.0 113.792 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.47 -44.05 6.32 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.25 -1.341 . . . . 1.0 113.379 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.64 -31.59 21.02 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 124.839 1.337 . . . . 1.0 112.77 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.69 -11.43 60.84 Favored 'General case' 0 C--N 1.401 2.83 0 O-C-N 124.629 1.206 . . . . 1.0 113.816 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -15.16 31.54 Favored 'General case' 0 C--N 1.417 3.529 0 C-N-CA 124.481 1.112 . . . . 1.0 111.908 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.55 -26.83 13.09 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 124.452 1.095 . . . . 1.0 113.002 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -155.56 -166.61 15.9 Favored Glycine 0 CA--C 1.484 -1.882 0 O-C-N 125.069 1.481 . . . . 1.0 111.772 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.591 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -125.85 132.55 52.18 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 122.916 0.486 . . . . 1.0 109.872 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.28 145.79 41.7 Favored 'General case' 0 CA--C 1.471 -2.06 0 O-C-N 124.186 0.929 . . . . 1.0 110.009 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -78.5 158.2 76.52 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 124.562 1.164 . . . . 1.0 109.983 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -50.11 -46.57 27.7 Favored 'Trans proline' 1 C--N 1.424 4.506 0 C-N-CA 123.462 2.775 . . . . 1.0 115.906 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 m -62.11 -32.7 73.3 Favored 'General case' 0 C--N 1.396 2.607 0 O-C-N 125.235 1.584 . . . . 1.0 113.001 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -35.92 66.39 Favored 'General case' 0 C--N 1.404 2.952 0 O-C-N 125.209 1.568 . . . . 1.0 113.188 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD21 HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -72.15 0.76 8.85 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 125.419 1.699 . . . . 1.0 111.958 173.659 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.38 -26.14 12.56 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-N 113.681 -1.599 . . . . 1.0 110.621 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -65.09 -42.4 94.11 Favored 'General case' 0 C--N 1.391 2.411 0 O-C-N 124.309 1.006 . . . . 1.0 111.646 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -84.73 86.21 2.25 Favored 'Isoleucine or valine' 0 C--O 1.285 2.929 0 C-N-CA 124.406 1.082 . . . . 1.0 109.373 174.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 36' ' ' MET . 0.1 OUTLIER -174.52 165.32 3.84 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.271 0.558 . . . . 1.0 111.007 -178.314 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 36.14 4.44 Favored 'General case' 0 C--O 1.264 1.866 0 CA-C-N 113.849 -1.523 . . . . 1.0 111.209 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.541 ' HB2' HD22 ' A' ' 34' ' ' LEU . 1.6 mtm -107.51 -55.7 2.31 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 118.21 -0.9 . . . . 1.0 112.451 -176.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 58.47 98.35 0.02 OUTLIER 'General case' 0 C--N 1.419 3.622 0 O-C-N 124.745 1.278 . . . . 1.0 109.858 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.58 -164.89 10.1 Favored Glycine 0 C--O 1.262 1.862 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.83 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -106.65 -37.43 6.44 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 118.125 -0.941 . . . . 1.0 112.894 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.55 114.05 2.75 Favored Glycine 0 C--N 1.366 2.209 0 O-C-N 125.328 1.642 . . . . 1.0 111.978 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -128.17 -18.89 4.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 124.873 0.984 . . . . 1.0 112.779 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.24 -49.94 51.65 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 113.982 1.104 . . . . 1.0 113.982 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -74.29 -31.63 62.58 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 125.54 1.775 . . . . 1.0 113.12 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.53 -44.92 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 125.274 1.609 . . . . 1.0 111.586 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -24.72 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.196 0 O-C-N 126.481 2.363 . . . . 1.0 112.892 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -73.2 -35.56 66.37 Favored 'General case' 0 N--CA 1.425 -1.684 0 O-C-N 127.029 2.706 . . . . 1.0 114.684 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -78.13 -27.66 48.31 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 127.139 2.774 . . . . 1.0 111.443 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -65.75 -30.61 71.3 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 124.758 1.286 . . . . 1.0 112.309 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 46' ' ' LEU . 2.9 mt -67.04 -33.8 76.31 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.658 -1.155 . . . . 1.0 112.694 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.11 -36.39 83.42 Favored 'General case' 0 C--N 1.377 1.766 0 O-C-N 125.589 1.805 . . . . 1.0 113.126 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -42.74 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.884 1.274 . . . . 1.0 112.132 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.711 ' HA ' HD12 ' A' ' 55' ' ' ILE . 2.1 mt -68.72 -37.4 77.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 O-C-N 125.935 2.022 . . . . 1.0 112.456 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.9 -28.48 67.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 126.52 2.388 . . . . 1.0 113.856 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -74.25 -34.31 63.58 Favored 'General case' 0 C--N 1.388 2.255 0 O-C-N 124.319 1.012 . . . . 1.0 113.544 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.93 -39.86 13.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 125.131 1.52 . . . . 1.0 111.816 -178.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.49 66.36 Favored 'General case' 0 C--N 1.391 2.38 0 O-C-N 125.375 1.672 . . . . 1.0 114.468 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.41 -32.16 16.55 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 126.683 2.489 . . . . 1.0 112.594 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -74.67 -18.72 60.49 Favored 'General case' 0 N--CA 1.517 2.909 0 O-C-N 127.902 3.251 . . . . 1.0 110.125 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.27 5.24 42.73 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 113.79 -1.55 . . . . 1.0 112.67 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.74 73.3 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 114.926 -1.034 . . . . 1.0 114.588 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -116.09 148.71 39.97 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 123.348 0.659 . . . . 1.0 109.377 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.94 129.38 68.69 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-N 114.92 -1.036 . . . . 1.0 111.038 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.67 127.45 45.78 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 125.248 1.593 . . . . 1.0 110.169 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.5 129.95 56.44 Favored 'General case' 0 C--O 1.261 1.684 0 O-C-N 124.523 1.139 . . . . 1.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.79 135.25 52.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.114 0 CA-C-N 114.95 -1.023 . . . . 1.0 108.251 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 135.14 53.71 Favored Pre-proline 0 C--N 1.379 1.867 0 O-C-N 125.25 1.594 . . . . 1.0 110.799 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -68.24 119.81 6.8 Favored 'Trans proline' 0 C--N 1.411 3.867 0 N-CA-C 117.27 1.988 . . . . 1.0 117.27 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . . . -70.4 142.16 52.09 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.102 -2.772 . . . . 1.0 109.552 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.71 158.65 43.67 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.568 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.03 122.02 28.65 Favored 'General case' 0 C--O 1.271 2.213 0 O-C-N 125.919 2.012 . . . . 1.0 107.36 172.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -86.08 -5.23 59.25 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 114.273 1.212 . . . . 1.0 114.273 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -93.71 -46.35 7.28 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 114.158 1.17 . . . . 1.0 114.158 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.4 p -98.35 -18.11 18.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.194 1.559 . . . . 1.0 113.613 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.44 -16.35 60.86 Favored Glycine 0 C--N 1.381 3.037 0 O-C-N 124.156 0.91 . . . . 1.0 113.739 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.99 134.72 37.81 Favored 'General case' 0 C--N 1.399 2.739 0 O-C-N 125.38 1.282 . . . . 1.0 111.779 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.04 127.42 66.95 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 O-C-N 125.18 1.55 . . . . 1.0 110.821 -175.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -101.22 149.76 23.67 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 125.235 1.585 . . . . 1.0 111.735 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.34 154.98 36.75 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 125.165 1.541 . . . . 1.0 110.063 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.21 129.02 38.5 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.927 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.93 163.56 28.89 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.289 -1.323 . . . . 1.0 111.026 -172.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -104.27 -81.1 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.612 0 O-C-N 124.719 1.262 . . . . 1.0 108.707 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.473 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.4 m120 -62.2 138.94 58.49 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.186 -1.783 . . . . 1.0 106.186 172.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.05 147.21 33.04 Favored Pre-proline 0 CA--C 1.569 1.676 0 O-C-N 124.615 1.197 . . . . 1.0 113.172 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -80.31 158.16 22.89 Favored 'Trans proline' 0 C--N 1.397 3.107 0 C-N-CA 121.737 1.625 . . . . 1.0 114.96 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -98.54 -26.55 14.38 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 125.468 1.73 . . . . 1.0 111.613 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -143.7 144.45 31.86 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 124.186 0.929 . . . . 1.0 110.149 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.0 m -81.36 143.52 52.02 Favored Pre-proline 0 C--N 1.38 1.933 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.534 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.41 -18.02 20.68 Favored 'Trans proline' 0 C--N 1.4 3.242 0 C-N-CA 122.176 1.917 . . . . 1.0 116.48 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -70.6 0.69 Allowed 'General case' 0 C--N 1.372 1.573 0 O-C-N 124.44 1.088 . . . . 1.0 111.798 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 p -127.03 -172.35 2.63 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 125.139 1.524 . . . . 1.0 110.1 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -74.67 147.51 41.42 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.909 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.19 77.24 0.07 Allowed 'General case' 0 C--O 1.273 2.321 0 O-C-N 124.691 1.245 . . . . 1.0 113.31 -174.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.17 -17.71 36.33 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-N 114.739 -1.118 . . . . 1.0 112.376 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.55 92.72 4.31 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 125.798 1.936 . . . . 1.0 111.218 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 149.05 29.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.44 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.624 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 132.79 33.9 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 124.226 0.954 . . . . 1.0 110.495 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 140.07 49.89 Favored Pre-proline 0 C--O 1.255 1.385 0 O-C-N 124.717 1.261 . . . . 1.0 111.279 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 51.9 Cg_endo -64.64 158.12 51.88 Favored 'Trans proline' 1 C--N 1.416 4.097 0 C-N-CA 121.805 1.67 . . . . 1.0 115.528 178.585 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -109.52 141.46 41.96 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 113.476 -1.693 . . . . 1.0 109.943 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.51 129.89 56.19 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.444 1.715 . . . . 1.0 111.313 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -139.67 152.86 47.07 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.482 1.114 . . . . 1.0 110.668 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.12 125.14 53.62 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 124.374 1.046 . . . . 1.0 109.186 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.85 140.16 52.74 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.979 -1.009 . . . . 1.0 110.251 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -84.76 152.37 23.73 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.759 1.287 . . . . 1.0 110.105 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 tttt . . . . . 2 N--CA 1.56 5.056 0 C-N-CA 126.54 1.936 . . . . 1.0 110.864 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.765 -0.636 . . . . 1.0 112.197 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.74 136.16 53.37 Favored 'General case' 0 C--O 1.264 1.82 0 O-C-N 124.634 1.209 . . . . 1.0 110.166 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -112.26 126.15 54.92 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 124.719 1.262 . . . . 1.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -130.49 140.96 50.51 Favored 'General case' 0 C--O 1.265 1.871 0 CA-C-N 114.711 -1.131 . . . . 1.0 110.515 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -110.41 114.51 28.0 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 125.476 1.735 . . . . 1.0 110.197 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.67 142.53 49.85 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.56 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.34 132.42 54.14 Favored 'General case' 0 C--O 1.264 1.861 0 O-C-N 124.439 1.087 . . . . 1.0 111.167 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.13 89.25 0.08 OUTLIER Glycine 0 CA--C 1.473 -2.563 0 O-C-N 125.469 1.731 . . . . 1.0 112.814 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -85.16 -24.8 27.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.095 1.115 . . . . 1.0 113.698 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.53 54.15 Favored 'General case' 0 C--N 1.381 1.971 0 O-C-N 124.554 1.159 . . . . 1.0 113.807 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -80.84 -35.43 32.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.393 1.058 . . . . 1.0 113.251 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -60.92 -38.65 86.51 Favored 'General case' 0 C--N 1.402 2.859 0 O-C-N 126.871 2.607 . . . . 1.0 112.728 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.578 ' HA ' HD12 ' A' ' 16' ' ' ILE . 20.2 mtp180 -70.2 -36.12 74.39 Favored 'General case' 0 C--N 1.391 2.387 0 O-C-N 125.289 1.618 . . . . 1.0 113.254 173.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 17' ' ' ILE . 17.3 mt-10 -65.44 -34.82 79.18 Favored 'General case' 0 C--N 1.383 2.05 0 O-C-N 126.642 2.464 . . . . 1.0 112.345 176.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -65.33 -33.77 76.76 Favored 'General case' 0 C--N 1.39 2.359 0 O-C-N 124.622 1.201 . . . . 1.0 113.086 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.1 mt -67.43 -47.27 81.36 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 124.59 1.181 . . . . 1.0 110.772 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -11.46 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.08 0 O-C-N 125.074 1.484 . . . . 1.0 113.796 177.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.01 -41.89 8.16 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.206 -1.815 . . . . 1.0 114.038 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -24.65 22.57 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 125.555 1.785 . . . . 1.0 114.151 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -79.64 -9.93 59.71 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 114.648 1.351 . . . . 1.0 114.648 -177.138 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -11.31 50.83 Favored 'General case' 0 C--N 1.415 3.421 0 C-N-CA 124.35 1.06 . . . . 1.0 112.598 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.02 -25.26 13.51 Favored 'General case' 0 C--N 1.375 1.709 0 O-C-N 124.553 1.158 . . . . 1.0 113.343 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.8 -170.17 27.26 Favored Glycine 0 CA--C 1.481 -2.063 0 O-C-N 125.05 1.469 . . . . 1.0 111.96 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -118.17 131.7 56.38 Favored 'General case' 0 C--O 1.268 2.057 0 C-N-CA 123.018 0.527 . . . . 1.0 110.009 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 40.2 m-85 -138.74 144.83 39.64 Favored 'General case' 0 CA--C 1.465 -2.324 0 O-C-N 124.434 1.084 . . . . 1.0 109.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 159.28 71.99 Favored Pre-proline 0 N--CA 1.434 -1.249 0 CA-C-O 117.499 -1.238 . . . . 1.0 110.256 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.514 ' HB3' HG21 ' A' ' 45' ' ' ILE . 12.2 Cg_endo -49.84 -46.19 28.76 Favored 'Trans proline' 1 C--N 1.425 4.58 0 C-N-CA 123.422 2.748 . . . . 1.0 115.646 177.662 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -61.0 -32.39 71.97 Favored 'General case' 0 C--N 1.406 3.023 0 O-C-N 125.265 1.603 . . . . 1.0 113.042 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 1.8 mt-10 -73.61 -36.25 65.45 Favored 'General case' 0 C--N 1.406 3.037 0 O-C-N 125.685 1.865 . . . . 1.0 112.718 175.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -2.87 16.76 Favored 'General case' 0 C--N 1.406 3.043 0 O-C-N 125.661 1.851 . . . . 1.0 111.764 172.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.29 -30.18 11.65 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-N 113.431 -1.713 . . . . 1.0 110.363 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -65.1 -46.52 80.74 Favored 'General case' 0 C--N 1.398 2.69 0 C-N-CA 124.31 1.044 . . . . 1.0 111.568 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -83.01 80.26 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.239 0 C-N-CA 124.669 1.188 . . . . 1.0 108.1 175.018 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER 162.33 -172.38 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 118.415 0.552 . . . . 1.0 109.609 -176.171 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.5 m-20 -110.24 133.63 53.05 Favored 'General case' 0 C--O 1.273 2.335 0 CA-C-N 114.594 -1.185 . . . . 1.0 108.43 174.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mtm -105.59 127.91 53.31 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.122 0.889 . . . . 1.0 111.687 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -29.59 3.72 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.813 -1.085 . . . . 1.0 112.163 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.69 -170.74 21.86 Favored Glycine 0 C--N 1.369 2.394 0 O-C-N 125.334 1.646 . . . . 1.0 113.109 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -107.24 -30.02 8.98 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 125.164 1.155 . . . . 1.0 113.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.26 122.91 7.41 Favored Glycine 0 C--N 1.372 2.566 0 O-C-N 124.999 1.437 . . . . 1.0 112.592 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.76 -19.72 4.44 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.273 1.219 . . . . 1.0 112.6 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 74.5 mttt -70.02 -48.93 56.06 Favored 'General case' 0 C--N 1.377 1.772 0 N-CA-C 114.319 1.229 . . . . 1.0 114.319 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.93 -33.13 61.93 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 125.256 1.597 . . . . 1.0 113.463 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.55 -43.79 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 125.298 1.624 . . . . 1.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -73.55 -24.82 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.137 0 O-C-N 126.539 2.399 . . . . 1.0 112.639 176.694 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -71.22 -38.76 72.0 Favored 'General case' 0 C--N 1.362 1.127 0 O-C-N 126.054 2.096 . . . . 1.0 112.234 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.52 -27.12 58.59 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 126.97 2.669 . . . . 1.0 111.829 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.8 m-20 -66.07 -32.43 73.89 Favored 'General case' 0 C--N 1.393 2.483 0 O-C-N 124.98 1.425 . . . . 1.0 112.078 173.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -67.45 -34.13 76.57 Favored 'General case' 0 C--N 1.391 2.406 0 CA-C-N 114.652 -1.158 . . . . 1.0 112.743 174.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -63.92 -37.95 89.28 Favored 'General case' 0 C--N 1.376 1.729 0 O-C-N 125.334 1.646 . . . . 1.0 113.073 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.41 -44.73 26.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.148 0 CA-C-N 114.499 -1.228 . . . . 1.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.729 ' HA ' HD12 ' A' ' 55' ' ' ILE . 1.7 mt -64.72 -39.91 87.27 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 O-C-N 126.533 2.396 . . . . 1.0 112.44 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -58.85 -29.55 67.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 127.068 2.73 . . . . 1.0 113.421 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -72.58 -33.8 66.99 Favored 'General case' 0 C--N 1.398 2.694 0 O-C-N 124.809 1.318 . . . . 1.0 113.351 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.6 OUTLIER -86.14 -39.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 125.129 1.518 . . . . 1.0 111.344 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.43 65.23 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 125.45 1.718 . . . . 1.0 114.212 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -87.67 -35.16 18.15 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 125.99 2.056 . . . . 1.0 113.023 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -71.27 -20.3 62.24 Favored 'General case' 0 N--CA 1.516 2.836 0 O-C-N 127.693 3.12 . . . . 1.0 110.428 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.05 5.92 44.59 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 113.718 -1.583 . . . . 1.0 113.075 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 31.32 79.39 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 114.966 -1.015 . . . . 1.0 115.025 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.8 147.91 39.16 Favored 'General case' 0 C--N 1.377 1.799 0 C-N-CA 123.404 0.681 . . . . 1.0 109.313 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.49 124.68 70.37 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-N 114.738 -1.119 . . . . 1.0 111.353 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 124.74 48.09 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 125.358 1.661 . . . . 1.0 110.05 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.62 130.92 54.29 Favored 'General case' 0 C--O 1.262 1.711 0 O-C-N 124.98 1.425 . . . . 1.0 111.246 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.93 132.39 63.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 O-C-N 124.751 1.282 . . . . 1.0 108.127 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -80.18 134.33 55.92 Favored Pre-proline 0 C--N 1.38 1.906 0 O-C-N 125.732 1.895 . . . . 1.0 110.8 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.94 124.54 11.96 Favored 'Trans proline' 0 C--N 1.412 3.892 0 N-CA-C 117.308 2.003 . . . . 1.0 117.308 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.2 140.68 54.6 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.087 -2.778 . . . . 1.0 109.972 176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -139.25 159.64 41.69 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.357 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.6 t -88.71 123.57 33.27 Favored 'General case' 0 C--O 1.273 2.339 0 O-C-N 125.988 2.055 . . . . 1.0 107.116 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -89.67 -6.2 56.37 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.25 -46.57 7.33 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.3 -20.1 18.77 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 125.598 1.811 . . . . 1.0 113.28 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.67 58.74 Favored Glycine 0 C--N 1.387 3.373 0 O-C-N 124.543 1.152 . . . . 1.0 113.622 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.81 134.59 48.01 Favored 'General case' 0 C--N 1.404 2.94 0 O-C-N 125.424 1.308 . . . . 1.0 111.815 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.84 127.94 62.0 Favored 'Isoleucine or valine' 0 C--O 1.265 1.889 0 O-C-N 125.726 1.891 . . . . 1.0 111.376 -175.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -99.54 151.6 20.97 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.405 1.69 . . . . 1.0 111.494 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -64.18 149.17 48.38 Favored 'General case' 0 C--O 1.275 2.44 0 O-C-N 124.956 1.41 . . . . 1.0 109.946 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.73 127.28 30.69 Favored 'General case' 0 C--N 1.377 1.769 0 O-C-N 124.711 1.257 . . . . 1.0 110.636 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -137.42 169.15 18.28 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 114.403 -1.272 . . . . 1.0 110.675 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.479 HG13 ' H ' ' A' ' 81' ' ' ILE . 0.2 OUTLIER -102.59 -81.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 CA-C-N 112.924 -1.943 . . . . 1.0 109.395 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.428 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.5 m120 -61.59 147.04 46.95 Favored 'General case' 0 C--O 1.28 2.666 0 O-C-N 125.378 1.674 . . . . 1.0 107.361 174.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.33 135.71 19.3 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 124.677 1.236 . . . . 1.0 110.335 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -74.69 152.34 42.29 Favored 'Trans proline' 1 C--N 1.417 4.165 0 C-N-CA 122.061 1.841 . . . . 1.0 114.267 172.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m -85.56 -25.09 26.95 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 125.367 1.667 . . . . 1.0 112.022 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -143.36 143.81 31.81 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 124.313 1.008 . . . . 1.0 110.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.8 141.44 44.29 Favored Pre-proline 0 C--N 1.384 2.084 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.261 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.41 -12.73 27.54 Favored 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 116.991 1.881 . . . . 1.0 116.991 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -94.52 -72.58 0.61 Allowed 'General case' 0 C--N 1.373 1.608 0 O-C-N 124.773 1.295 . . . . 1.0 113.537 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.6 p -133.46 -104.45 0.24 Allowed 'General case' 0 N--CA 1.424 -1.727 0 O-C-N 125.267 1.604 . . . . 1.0 113.24 -173.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -82.81 163.11 21.41 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 126.045 2.09 . . . . 1.0 112.522 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -163.67 80.98 0.44 Allowed 'General case' 0 C--O 1.274 2.36 0 CA-C-O 122.641 1.21 . . . . 1.0 112.321 -175.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -146.06 -53.36 0.26 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.754 -1.112 . . . . 1.0 110.59 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -102.74 94.66 5.73 Favored 'General case' 0 C--O 1.252 1.193 0 O-C-N 125.772 1.92 . . . . 1.0 112.664 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.32 147.27 30.03 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-N 114.241 -1.345 . . . . 1.0 109.458 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.11 131.73 35.81 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 124.935 1.397 . . . . 1.0 110.648 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.29 143.22 44.65 Favored Pre-proline 0 C--N 1.369 1.425 0 O-C-N 124.901 1.375 . . . . 1.0 110.655 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -65.95 157.78 57.5 Favored 'Trans proline' 1 C--N 1.415 4.031 0 C-N-CA 122.594 2.196 . . . . 1.0 115.754 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -109.35 137.86 46.58 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-N 113.657 -1.61 . . . . 1.0 109.858 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.42 126.29 54.8 Favored 'General case' 0 C--O 1.257 1.476 0 O-C-N 125.014 1.446 . . . . 1.0 110.795 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -141.28 154.69 45.87 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.609 1.193 . . . . 1.0 110.878 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.99 128.86 55.2 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 124.353 1.033 . . . . 1.0 109.72 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -119.57 136.87 54.17 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 114.936 -1.029 . . . . 1.0 109.684 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.64 147.11 35.74 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.486 1.116 . . . . 1.0 110.054 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 2 N--CA 1.559 4.999 0 C-N-CA 126.508 1.923 . . . . 1.0 111.195 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 119.143 -0.456 . . . . 1.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.97 -32.05 7.72 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 124.255 0.972 . . . . 1.0 112.653 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -112.8 135.16 53.86 Favored 'General case' 0 C--O 1.26 1.625 0 O-C-N 125.049 1.468 . . . . 1.0 111.071 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.9 143.82 44.54 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 124.717 1.261 . . . . 1.0 110.81 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -101.11 129.84 47.06 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.541 1.151 . . . . 1.0 110.668 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -115.28 146.88 41.06 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 124.42 1.075 . . . . 1.0 111.324 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.17 130.15 43.3 Favored 'General case' 0 C--O 1.259 1.575 0 O-C-N 124.105 0.878 . . . . 1.0 111.236 179.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.38 159.81 17.22 Favored Glycine 0 CA--C 1.486 -1.731 0 O-C-N 125.065 1.478 . . . . 1.0 112.535 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -85.05 -24.1 28.28 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.578 0.955 . . . . 1.0 113.578 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 124.364 1.04 . . . . 1.0 113.749 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -81.19 -37.82 28.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 124.199 0.937 . . . . 1.0 113.176 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.74 -38.3 89.98 Favored 'General case' 0 C--N 1.392 2.454 0 O-C-N 126.937 2.648 . . . . 1.0 112.474 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.5 mtp180 -70.48 -36.76 74.04 Favored 'General case' 0 C--N 1.386 2.176 0 O-C-N 124.847 1.342 . . . . 1.0 112.588 174.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HA ' HD11 ' A' ' 17' ' ' ILE . 15.2 mt-10 -65.39 -34.5 78.45 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 126.285 2.241 . . . . 1.0 112.176 176.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -67.36 -30.83 70.73 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.437 1.085 . . . . 1.0 112.979 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.9 mt -66.53 -48.29 80.96 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 O-C-N 124.312 1.007 . . . . 1.0 111.432 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -77.04 -1.01 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.829 0 O-C-N 124.822 1.326 . . . . 1.0 113.736 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -102.47 -42.98 5.78 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-N 114.223 -1.353 . . . . 1.0 113.398 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -25.93 21.77 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 124.917 1.386 . . . . 1.0 113.443 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -78.51 -9.56 59.38 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -177.636 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -11.64 48.24 Favored 'General case' 0 C--N 1.41 3.225 0 C-N-CA 124.368 1.067 . . . . 1.0 112.161 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -104.08 -26.14 12.7 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 124.415 1.072 . . . . 1.0 113.104 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.24 -165.06 17.29 Favored Glycine 0 CA--C 1.487 -1.714 0 O-C-N 124.763 1.289 . . . . 1.0 112.074 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.73 133.73 55.32 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 115.372 -0.414 . . . . 1.0 110.234 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.44 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 33.5 m-85 -140.96 143.02 34.29 Favored 'General case' 0 CA--C 1.472 -2.049 0 O-C-N 124.145 0.903 . . . . 1.0 109.576 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 159.85 76.45 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 117.827 -1.082 . . . . 1.0 110.597 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.624 ' HB3' HG21 ' A' ' 45' ' ' ILE . 13.9 Cg_endo -50.95 -45.5 35.96 Favored 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 123.149 2.566 . . . . 1.0 115.71 177.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.1 m -61.54 -31.37 71.39 Favored 'General case' 0 C--N 1.395 2.575 0 O-C-N 125.063 1.477 . . . . 1.0 112.737 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -74.53 -36.81 63.16 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 125.258 1.599 . . . . 1.0 112.648 176.19 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -1.78 13.0 Favored 'General case' 0 C--N 1.402 2.849 0 O-C-N 125.04 1.462 . . . . 1.0 111.699 172.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.36 -29.01 11.49 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 113.811 -1.541 . . . . 1.0 110.438 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -64.74 -45.1 87.88 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 124.419 1.074 . . . . 1.0 111.198 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -83.52 84.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.279 2.613 0 C-N-CA 124.543 1.137 . . . . 1.0 108.926 174.075 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 36' ' ' MET . 0.2 OUTLIER -166.9 -22.31 0.02 OUTLIER 'General case' 0 CA--C 1.444 -3.129 0 N-CA-C 112.798 0.666 . . . . 1.0 112.798 -177.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.26 29.23 18.75 Favored 'General case' 0 C--N 1.409 3.174 0 C-N-CA 124.577 1.151 . . . . 1.0 111.814 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.524 ' HB2' HD23 ' A' ' 34' ' ' LEU . 16.1 mtm -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-N 115.111 -0.95 . . . . 1.0 110.919 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -110.98 134.39 52.63 Favored 'General case' 0 C--O 1.259 1.574 0 O-C-N 124.506 1.128 . . . . 1.0 110.063 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.34 165.13 27.21 Favored Glycine 0 C--O 1.259 1.712 0 O-C-N 124.716 1.26 . . . . 1.0 112.724 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.93 131.57 54.9 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 124.817 0.951 . . . . 1.0 110.753 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.48 86.74 1.91 Allowed Glycine 0 C--N 1.357 1.744 0 O-C-N 124.287 0.992 . . . . 1.0 112.673 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -136.15 -19.69 1.48 Allowed 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.845 0.968 . . . . 1.0 112.737 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 45' ' ' ILE . 64.1 mttt -71.04 -54.05 12.54 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 114.187 1.18 . . . . 1.0 114.187 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 46' ' ' LEU . 49.2 mttt -75.09 -32.29 61.42 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 125.038 1.462 . . . . 1.0 113.809 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -38.27 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 125.5 1.75 . . . . 1.0 112.223 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.48 -25.0 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 O-C-N 125.615 1.822 . . . . 1.0 112.937 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 49' ' ' LEU . 22.0 mt -72.86 -37.26 67.45 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 126.155 2.159 . . . . 1.0 112.63 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.78 56.05 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 126.307 2.255 . . . . 1.0 111.316 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.533 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.9 m-20 -67.12 -30.81 70.91 Favored 'General case' 0 C--N 1.388 2.273 0 O-C-N 124.585 1.178 . . . . 1.0 112.101 173.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 46' ' ' LEU . 2.7 mt -67.45 -33.47 75.21 Favored 'General case' 0 C--N 1.385 2.114 0 CA-C-N 114.759 -1.11 . . . . 1.0 112.699 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -36.52 84.35 Favored 'General case' 0 C--N 1.372 1.57 0 O-C-N 125.328 1.643 . . . . 1.0 113.002 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.15 -44.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 124.508 1.123 . . . . 1.0 111.439 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 48' ' ' ASP . 30.6 mm -70.72 -33.44 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 125.539 1.774 . . . . 1.0 113.394 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 m -61.73 -30.53 70.83 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 127.348 2.905 . . . . 1.0 113.507 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -72.65 -33.21 66.43 Favored 'General case' 0 C--N 1.387 2.216 0 O-C-N 124.785 1.303 . . . . 1.0 113.145 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.31 -39.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 124.835 1.334 . . . . 1.0 111.49 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.97 -24.19 64.21 Favored 'General case' 0 C--N 1.388 2.258 0 O-C-N 125.238 1.586 . . . . 1.0 114.086 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -89.56 -34.51 16.33 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 125.879 1.987 . . . . 1.0 112.953 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.32 -19.25 61.69 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 127.343 2.902 . . . . 1.0 110.378 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.62 5.85 46.26 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-N 114.05 -1.432 . . . . 1.0 112.78 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.93 31.32 80.13 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 115.044 -0.98 . . . . 1.0 114.684 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -115.3 148.85 38.71 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 123.274 0.63 . . . . 1.0 109.534 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.26 125.0 72.39 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-N 114.869 -1.059 . . . . 1.0 111.205 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -99.62 126.39 45.61 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.069 1.481 . . . . 1.0 110.389 176.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.21 129.75 55.86 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 124.454 1.096 . . . . 1.0 111.06 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 134.62 53.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 108.643 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -78.64 133.64 62.55 Favored Pre-proline 0 C--O 1.259 1.594 0 O-C-N 125.285 1.616 . . . . 1.0 110.609 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.5 122.84 10.35 Favored 'Trans proline' 0 C--N 1.41 3.815 0 N-CA-C 117.065 1.91 . . . . 1.0 117.065 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.784 ' HB2' ' HG3' ' A' ' 98' ' ' PRO . . . -69.15 141.09 54.68 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 111.552 -2.567 . . . . 1.0 110.187 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -138.97 157.88 45.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.268 -0.878 . . . . 1.0 111.461 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 50.4 m -88.95 123.61 33.46 Favored 'General case' 0 C--O 1.269 2.118 0 O-C-N 125.229 1.58 . . . . 1.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -84.41 -10.62 57.38 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 114.923 1.453 . . . . 1.0 114.923 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HD2' ' HB2' ' A' ' 94' ' ' TRP . 28.7 mttt -93.18 -47.6 6.87 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 114.337 1.236 . . . . 1.0 114.337 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.3 p -96.52 -19.02 19.41 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.903 1.377 . . . . 1.0 113.327 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.63 -16.23 61.21 Favored Glycine 0 C--N 1.381 3.028 0 O-C-N 124.132 0.895 . . . . 1.0 113.849 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.79 133.47 42.38 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 125.408 1.299 . . . . 1.0 111.864 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.16 128.09 63.89 Favored 'Isoleucine or valine' 0 C--O 1.259 1.581 0 O-C-N 125.492 1.745 . . . . 1.0 111.136 -174.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -100.23 149.54 23.46 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 125.155 1.534 . . . . 1.0 111.837 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 148.48 51.82 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 125.008 1.443 . . . . 1.0 110.284 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.57 120.54 14.16 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.255 0.972 . . . . 1.0 111.198 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -126.39 177.61 6.35 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.942 -1.481 . . . . 1.0 110.533 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.562 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -103.14 -83.59 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 CA-C-N 113.857 -1.519 . . . . 1.0 109.531 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.562 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.8 m120 -59.58 142.28 53.09 Favored 'General case' 0 C--O 1.273 2.324 0 O-C-N 125.567 1.792 . . . . 1.0 107.44 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.85 140.27 21.83 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 124.568 1.167 . . . . 1.0 112.959 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -80.46 151.95 20.14 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 121.224 1.283 . . . . 1.0 114.956 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m -86.42 -17.77 33.49 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 125.023 1.452 . . . . 1.0 111.014 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -149.4 146.26 27.38 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 124.213 1.005 . . . . 1.0 110.193 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.14 126.6 87.82 Favored Pre-proline 0 C--N 1.369 1.424 0 O-C-N 124.603 1.189 . . . . 1.0 110.048 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.77 -20.15 52.55 Favored 'Trans proline' 0 C--N 1.411 3.817 0 N-CA-C 117.247 1.979 . . . . 1.0 117.247 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.7 -62.22 1.27 Allowed 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.734 1.271 . . . . 1.0 112.84 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -97.34 -20.11 18.06 Favored 'General case' 0 CA--C 1.439 -3.305 0 N-CA-C 113.884 1.068 . . . . 1.0 113.884 -174.269 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 90' ' ' CYS . 13.2 tttt 42.7 150.24 0.0 OUTLIER 'General case' 0 C--N 1.416 3.483 0 C-N-CA 124.286 1.035 . . . . 1.0 110.414 -173.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.488 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER 173.55 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.613 -1.176 . . . . 1.0 110.786 175.291 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.488 ' H ' ' HB3' ' A' ' 92' ' ' SER . 7.5 mt-10 -142.86 -36.17 0.39 Allowed 'General case' 0 C--N 1.36 1.039 0 O-C-N 124.959 1.412 . . . . 1.0 113.508 -170.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.534 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -93.94 93.93 8.18 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 126.353 2.283 . . . . 1.0 113.961 -176.604 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.69 139.96 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 114.446 -1.252 . . . . 1.0 108.009 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.3 134.92 35.01 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.793 1.933 . . . . 1.0 109.759 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.63 146.19 60.17 Favored Pre-proline 0 C--N 1.368 1.397 0 O-C-N 123.991 0.807 . . . . 1.0 111.846 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.784 ' HG3' ' HB2' ' A' ' 68' ' ' ALA . 23.1 Cg_exo -72.0 162.72 40.99 Favored 'Trans proline' 0 C--N 1.409 3.753 0 C-N-CA 122.209 1.939 . . . . 1.0 115.493 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.83 138.86 49.04 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 113.757 -1.565 . . . . 1.0 109.638 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -112.82 128.03 56.33 Favored 'General case' 0 C--O 1.254 1.328 0 O-C-N 124.961 1.413 . . . . 1.0 111.399 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -137.82 150.02 46.84 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 124.484 1.115 . . . . 1.0 110.806 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -120.73 131.35 54.48 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 123.853 0.721 . . . . 1.0 109.865 178.228 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -119.09 134.08 55.41 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 115.184 -0.916 . . . . 1.0 109.963 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.52 120.53 40.45 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 124.984 1.428 . . . . 1.0 111.052 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.6 mttt . . . . . 2 N--CA 1.56 5.045 0 C-N-CA 126.815 2.046 . . . . 1.0 111.956 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.73 0 CA-C-O 120.679 0.276 . . . . 1.0 110.388 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -107.63 -39.55 5.57 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.772 -0.649 . . . . 1.0 112.408 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -119.74 118.26 30.41 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 125.303 1.627 . . . . 1.0 110.447 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.76 131.33 42.89 Favored 'General case' 0 C--O 1.259 1.555 0 CA-C-N 115.046 -0.979 . . . . 1.0 110.96 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -123.02 133.02 54.36 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-N 114.991 -1.004 . . . . 1.0 108.687 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 m80 63.44 119.71 0.02 OUTLIER 'General case' 0 N--CA 1.534 3.751 0 C-N-CA 124.381 1.072 . . . . 1.0 111.823 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -114.21 132.23 56.19 Favored 'General case' 0 C--O 1.261 1.71 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.853 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.71 -71.79 0.35 Allowed Glycine 0 CA--C 1.475 -2.426 0 O-C-N 125.317 1.636 . . . . 1.0 114.285 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.11 -32.01 26.94 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.174 1.176 . . . . 1.0 114.174 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.75 56.35 Favored 'General case' 0 C--N 1.372 1.574 0 O-C-N 125.002 1.439 . . . . 1.0 113.932 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -84.77 -26.73 27.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.391 1.256 . . . . 1.0 114.391 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -45.9 65.77 Favored 'General case' 0 C--N 1.403 2.915 0 O-C-N 125.652 1.845 . . . . 1.0 114.157 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' ILE . 67.1 mtt180 -67.08 -40.4 86.99 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 114.3 -1.318 . . . . 1.0 114.297 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.5 -37.93 86.14 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 126.277 2.236 . . . . 1.0 112.07 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.66 -30.01 70.17 Favored 'General case' 0 C--N 1.385 2.123 0 O-C-N 124.562 1.164 . . . . 1.0 113.393 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' ARG . 9.3 mt -65.71 -48.85 80.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.513 0 O-C-N 124.191 0.932 . . . . 1.0 111.445 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -77.44 -2.64 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 O-C-N 124.79 1.306 . . . . 1.0 113.92 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -102.04 -42.82 5.96 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.274 -1.33 . . . . 1.0 113.771 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -22.43 24.86 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.097 1.498 . . . . 1.0 113.725 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -81.92 -9.88 59.45 Favored 'General case' 0 C--O 1.264 1.827 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -176.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -11.37 48.34 Favored 'General case' 0 C--N 1.407 3.081 0 C-N-CA 124.084 0.954 . . . . 1.0 112.65 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -102.98 -26.84 12.94 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 124.173 0.921 . . . . 1.0 113.066 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.39 -170.02 24.44 Favored Glycine 0 C--O 1.26 1.723 0 O-C-N 125.067 1.48 . . . . 1.0 112.311 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.58 132.73 55.79 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-O 121.478 0.656 . . . . 1.0 109.578 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.558 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 37.9 m-85 -139.19 145.91 39.9 Favored 'General case' 0 CA--C 1.473 -2.01 0 CA-C-N 115.021 -0.991 . . . . 1.0 110.388 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -76.87 157.63 81.47 Favored Pre-proline 0 C--O 1.257 1.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.035 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HB3' HG21 ' A' ' 45' ' ' ILE . 86.1 Cg_exo -52.28 -42.24 61.39 Favored 'Trans proline' 1 C--N 1.425 4.568 0 C-N-CA 122.726 2.284 . . . . 1.0 115.629 178.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -66.44 -29.32 69.44 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.233 0.958 . . . . 1.0 113.403 173.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 13.2 mt-10 -75.13 -36.9 61.57 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 125.059 1.474 . . . . 1.0 113.036 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.84 -65.79 0.63 Allowed 'General case' 0 C--N 1.372 1.566 0 O-C-N 126.882 2.614 . . . . 1.0 108.751 178.313 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -48.61 -21.56 0.61 Allowed 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.998 1.319 . . . . 1.0 114.154 175.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.24 -43.47 70.51 Favored 'General case' 0 C--N 1.418 3.565 0 C-N-CA 124.618 1.167 . . . . 1.0 111.776 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 33' ' ' ILE . 1.1 tt -84.06 85.51 2.06 Favored 'Isoleucine or valine' 0 C--O 1.282 2.768 0 O-C-N 124.911 1.382 . . . . 1.0 107.562 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -170.4 173.71 5.52 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 121.179 0.514 . . . . 1.0 111.004 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.69 -2.17 51.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 114.004 -1.453 . . . . 1.0 111.733 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.5 mtm -103.68 159.26 15.76 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-N 115.624 -0.717 . . . . 1.0 110.88 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -71.48 -47.4 55.79 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 118.481 -0.771 . . . . 1.0 112.199 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 80.97 1.44 Allowed Glycine 0 C--N 1.366 2.228 0 O-C-N 125.832 1.957 . . . . 1.0 113.74 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -112.07 74.72 0.88 Allowed 'General case' 0 C--O 1.263 1.798 0 O-C-N 125.762 1.507 . . . . 1.0 109.387 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.42 93.92 1.82 Allowed Glycine 0 C--N 1.367 2.25 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -133.19 -16.8 2.42 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.058 1.093 . . . . 1.0 112.957 -176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 45' ' ' ILE . 8.3 mttp -68.48 -60.64 2.29 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -176.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.6 mttm -76.02 -28.46 57.75 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 125.741 1.901 . . . . 1.0 113.109 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.09 -38.48 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 125.482 1.739 . . . . 1.0 111.411 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -74.01 -23.2 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 126.836 2.585 . . . . 1.0 112.668 177.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' A' ' 43' ' ' LYS . 33.9 mt -74.29 -36.1 63.74 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 126.126 2.141 . . . . 1.0 112.427 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -76.94 -27.85 55.01 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 126.498 2.374 . . . . 1.0 111.309 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.527 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -65.85 -30.64 71.28 Favored 'General case' 0 C--N 1.397 2.661 0 O-C-N 124.535 1.147 . . . . 1.0 111.834 174.771 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.18 -33.82 76.62 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 115.569 1.692 . . . . 1.0 115.569 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -62.62 -37.54 86.7 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 126.768 2.542 . . . . 1.0 113.623 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.505 HG21 ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -78.34 -42.69 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.195 1.398 . . . . 1.0 113.044 179.481 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' A' ' 55' ' ' ILE . 29.3 mm -71.7 -32.63 45.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 124.75 1.281 . . . . 1.0 113.62 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -30.45 71.14 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 127.538 3.023 . . . . 1.0 113.083 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.23 -32.78 64.94 Favored 'General case' 0 C--N 1.384 2.098 0 O-C-N 124.938 1.399 . . . . 1.0 113.195 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.7 -40.17 13.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 125.026 1.454 . . . . 1.0 111.515 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -23.64 64.2 Favored 'General case' 0 C--N 1.39 2.344 0 O-C-N 125.307 1.629 . . . . 1.0 114.05 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -90.31 -34.68 15.63 Favored 'General case' 0 CA--C 1.584 2.279 0 O-C-N 125.73 1.894 . . . . 1.0 112.334 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -72.22 -19.65 61.68 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 128.043 3.339 . . . . 1.0 110.202 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.13 6.1 46.33 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 113.986 -1.461 . . . . 1.0 112.861 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.81 30.88 78.44 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 115.152 -0.931 . . . . 1.0 114.711 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.0 mtm -115.01 151.46 34.15 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 123.321 0.648 . . . . 1.0 109.816 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.19 124.17 72.62 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.369 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.92 126.22 46.03 Favored 'General case' 0 C--O 1.262 1.726 0 O-C-N 125.132 1.52 . . . . 1.0 109.851 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.17 131.21 54.88 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 124.414 1.072 . . . . 1.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.06 132.94 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 124.494 1.121 . . . . 1.0 108.445 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -81.85 135.36 48.82 Favored Pre-proline 0 C--N 1.374 1.673 0 O-C-N 125.355 1.659 . . . . 1.0 110.425 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.93 123.19 10.39 Favored 'Trans proline' 0 C--N 1.405 3.552 0 N-CA-C 117.619 2.123 . . . . 1.0 117.619 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . . . -68.17 141.19 56.09 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 111.231 -2.713 . . . . 1.0 109.4 176.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -139.71 156.49 46.77 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.765 -173.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.84 121.84 32.35 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 125.593 1.808 . . . . 1.0 107.16 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -93.73 2.5 56.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.8 -47.6 5.24 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 p -97.78 -20.64 17.42 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.916 1.385 . . . . 1.0 113.595 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.51 52.77 Favored Glycine 0 C--N 1.374 2.64 0 O-C-N 124.75 1.281 . . . . 1.0 113.438 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.64 131.39 34.44 Favored 'General case' 0 C--N 1.398 2.704 0 O-C-N 125.211 1.183 . . . . 1.0 112.468 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.71 127.8 64.94 Favored 'Isoleucine or valine' 0 C--O 1.262 1.748 0 O-C-N 125.475 1.734 . . . . 1.0 110.82 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.09 150.91 20.93 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 124.843 1.339 . . . . 1.0 111.817 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -66.0 148.86 51.16 Favored 'General case' 0 C--O 1.269 2.086 0 O-C-N 124.881 1.363 . . . . 1.0 109.926 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 114.98 5.84 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 124.137 0.898 . . . . 1.0 111.049 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -122.82 175.33 6.6 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 114.058 -1.428 . . . . 1.0 110.77 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.564 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -100.72 -83.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.469 0 CA-C-N 114.38 -1.282 . . . . 1.0 110.554 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.564 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.3 m120 -58.35 140.3 53.77 Favored 'General case' 0 C--O 1.276 2.482 0 O-C-N 125.86 1.975 . . . . 1.0 107.165 173.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.02 147.95 33.93 Favored Pre-proline 0 CA--C 1.563 1.449 0 O-C-N 124.919 1.387 . . . . 1.0 113.107 -175.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -80.46 155.59 21.65 Favored 'Trans proline' 0 C--N 1.394 2.945 0 C-N-CA 121.732 1.621 . . . . 1.0 115.056 169.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 m -97.39 -20.78 17.58 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 125.369 1.668 . . . . 1.0 111.465 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -149.9 144.65 26.05 Favored 'General case' 0 C--O 1.263 1.799 0 CA-C-N 115.164 -0.926 . . . . 1.0 110.445 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.25 128.01 90.75 Favored Pre-proline 0 C--O 1.26 1.628 0 O-C-N 124.816 1.322 . . . . 1.0 111.389 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.34 -20.54 27.68 Favored 'Trans proline' 1 C--N 1.416 4.112 0 N-CA-C 116.747 1.787 . . . . 1.0 116.747 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -84.62 -51.39 6.88 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.606 1.191 . . . . 1.0 111.266 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.2 p -141.83 -101.86 0.14 Allowed 'General case' 0 N--CA 1.427 -1.624 0 O-C-N 125.933 2.021 . . . . 1.0 111.436 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -137.49 147.38 45.21 Favored 'General case' 0 C--O 1.26 1.621 0 O-C-N 125.236 1.585 . . . . 1.0 111.087 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.32 136.85 31.95 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 114.769 -1.105 . . . . 1.0 110.406 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -149.22 -50.89 0.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.989 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -102.17 94.01 5.52 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 125.966 2.041 . . . . 1.0 110.851 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 147.1 31.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.357 0 CA-C-N 114.756 -1.111 . . . . 1.0 109.813 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.28 131.32 36.15 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 124.337 1.023 . . . . 1.0 110.345 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -80.19 140.3 53.03 Favored Pre-proline 0 C--O 1.256 1.414 0 O-C-N 124.83 1.331 . . . . 1.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 40.1 Cg_endo -62.72 157.51 47.08 Favored 'Trans proline' 0 C--N 1.411 3.866 0 C-N-CA 122.087 1.858 . . . . 1.0 115.409 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -109.75 135.75 50.18 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 113.388 -1.733 . . . . 1.0 110.573 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -117.55 127.49 54.04 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 124.962 1.414 . . . . 1.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -141.15 156.92 45.88 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 124.291 0.994 . . . . 1.0 110.492 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.48 136.3 53.9 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 123.8 0.687 . . . . 1.0 109.993 179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.56 133.23 55.76 Favored 'General case' 0 C--O 1.263 1.789 0 CA-C-N 114.912 -1.04 . . . . 1.0 109.654 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -102.87 121.79 43.22 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 125.621 1.826 . . . . 1.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 4.988 0 C-N-CA 126.893 2.077 . . . . 1.0 112.012 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 119.05 -0.5 . . . . 1.0 112.317 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -114.98 139.32 49.93 Favored 'General case' 0 C--O 1.26 1.618 0 O-C-N 124.484 1.115 . . . . 1.0 110.511 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -109.51 129.74 55.55 Favored 'General case' 0 C--O 1.262 1.737 0 O-C-N 124.773 1.295 . . . . 1.0 110.416 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.12 142.39 48.96 Favored 'General case' 0 C--O 1.256 1.438 0 O-C-N 124.726 1.266 . . . . 1.0 111.122 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -103.55 137.23 41.92 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 124.46 1.1 . . . . 1.0 110.394 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -111.91 131.91 55.07 Favored 'General case' 0 C--O 1.258 1.511 0 O-C-N 124.547 1.154 . . . . 1.0 111.507 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.24 -35.69 6.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.263 0.977 . . . . 1.0 112.227 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.3 -113.05 1.92 Allowed Glycine 0 CA--C 1.48 -2.116 0 O-C-N 126.01 2.069 . . . . 1.0 112.613 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.3 -22.54 26.7 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.639 1.348 . . . . 1.0 114.639 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.27 74.18 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.465 1.283 . . . . 1.0 114.465 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -83.72 -36.94 23.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 125.034 1.459 . . . . 1.0 114.137 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.09 81.62 Favored 'General case' 0 C--N 1.404 2.95 0 O-C-N 126.775 2.547 . . . . 1.0 113.522 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.0 mtm180 -69.66 -37.52 76.75 Favored 'General case' 0 C--N 1.387 2.226 0 O-C-N 125.268 1.605 . . . . 1.0 113.254 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.6 mt-10 -67.45 -35.93 80.19 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.08 2.112 . . . . 1.0 112.055 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -64.56 -32.51 74.19 Favored 'General case' 0 C--N 1.389 2.299 0 O-C-N 124.419 1.075 . . . . 1.0 113.076 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 13' ' ' ARG . 6.5 mt -67.64 -46.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 O-C-N 124.453 1.095 . . . . 1.0 110.986 176.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -71.27 -11.62 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 O-C-N 125.09 1.494 . . . . 1.0 113.681 178.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -98.97 -40.07 8.24 Favored 'General case' 0 C--O 1.244 0.763 0 O-C-N 125.343 1.652 . . . . 1.0 114.12 -172.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -21.3 23.88 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.497 1.748 . . . . 1.0 113.899 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.93 -9.38 58.14 Favored 'General case' 0 C--O 1.267 2.015 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 -175.088 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -11.27 52.61 Favored 'General case' 0 C--N 1.405 2.994 0 C-N-CA 124.028 0.931 . . . . 1.0 112.927 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -103.87 -26.22 12.76 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 124.64 1.213 . . . . 1.0 113.158 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.85 179.85 35.13 Favored Glycine 0 CA--C 1.486 -1.77 0 O-C-N 125.066 1.479 . . . . 1.0 112.039 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.563 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 5.0 p-10 -112.1 131.24 55.56 Favored 'General case' 0 C--O 1.268 2.066 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.073 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.83 146.75 47.83 Favored 'General case' 0 CA--C 1.471 -2.09 0 O-C-N 124.772 1.295 . . . . 1.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.13 161.63 67.38 Favored Pre-proline 0 C--O 1.251 1.172 0 O-C-N 124.491 1.119 . . . . 1.0 110.055 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HB3' HG21 ' A' ' 45' ' ' ILE . 83.8 Cg_exo -52.64 -46.52 32.84 Favored 'Trans proline' 1 C--N 1.43 4.868 0 C-N-CA 122.801 2.334 . . . . 1.0 115.209 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.29 -32.42 71.18 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 124.54 1.15 . . . . 1.0 113.03 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.89 -35.99 69.91 Favored 'General case' 0 C--N 1.405 2.986 0 O-C-N 125.249 1.593 . . . . 1.0 112.783 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.16 -3.23 18.96 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 125.431 1.707 . . . . 1.0 112.044 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.05 -30.47 11.16 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-N 113.559 -1.655 . . . . 1.0 110.12 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -64.66 -47.6 77.88 Favored 'General case' 0 C--N 1.396 2.618 0 O-C-N 124.227 0.955 . . . . 1.0 111.332 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.735 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -84.08 83.08 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.967 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 174.755 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.735 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER 152.67 -161.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 -176.562 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.518 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.5 m-20 -103.79 132.8 49.7 Favored 'General case' 0 C--O 1.271 2.197 0 CA-C-N 114.011 -1.449 . . . . 1.0 108.252 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.5 mtm -85.47 -33.5 21.84 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 114.477 1.288 . . . . 1.0 114.477 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 66.52 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.417 3.525 0 C-N-CA 124.928 1.291 . . . . 1.0 110.065 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.65 -107.91 0.23 Allowed Glycine 0 N--CA 1.411 -2.993 0 O-C-N 126.012 2.07 . . . . 1.0 112.89 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -110.44 135.31 51.33 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 125.828 1.546 . . . . 1.0 111.547 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.07 77.17 0.96 Allowed Glycine 0 C--N 1.361 1.952 0 O-C-N 124.626 1.204 . . . . 1.0 113.156 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -129.72 -31.1 2.01 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 125.217 1.187 . . . . 1.0 112.525 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 45' ' ' ILE . 62.2 mttt -73.94 -52.62 12.29 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HA ' HD12 ' A' ' 46' ' ' LEU . 60.5 mttt -74.74 -29.33 61.12 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 125.476 1.735 . . . . 1.0 113.832 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.6 -40.43 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 125.688 1.867 . . . . 1.0 111.305 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -73.33 -24.9 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 O-C-N 126.584 2.427 . . . . 1.0 112.939 178.046 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 43' ' ' LYS . 12.4 mt -73.62 -36.77 65.5 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.346 2.279 . . . . 1.0 112.131 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.02 -27.72 61.09 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 126.361 2.288 . . . . 1.0 111.349 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -33.29 75.61 Favored 'General case' 0 C--N 1.395 2.586 0 O-C-N 124.726 1.266 . . . . 1.0 111.863 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -34.33 78.17 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 116.185 1.92 . . . . 1.0 116.185 174.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.15 -36.03 82.7 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 126.952 2.658 . . . . 1.0 112.248 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.51 -45.26 46.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 124.594 1.157 . . . . 1.0 111.689 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.736 ' HA ' HD12 ' A' ' 55' ' ' ILE . 9.1 mt -69.57 -36.61 71.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 126.013 2.071 . . . . 1.0 112.335 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 p -60.73 -31.62 70.92 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 126.299 2.25 . . . . 1.0 114.355 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -71.34 -34.58 70.65 Favored 'General case' 0 C--N 1.39 2.342 0 O-C-N 125.084 1.49 . . . . 1.0 113.226 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -85.16 -39.08 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 O-C-N 125.29 1.619 . . . . 1.0 111.542 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -60.09 -24.74 64.87 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 125.509 1.755 . . . . 1.0 114.708 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -90.23 -35.4 15.35 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 125.762 1.914 . . . . 1.0 112.338 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -72.04 -21.75 61.49 Favored 'General case' 0 N--CA 1.524 3.241 0 O-C-N 128.486 3.616 . . . . 1.0 109.958 170.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.83 12.68 34.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-N 114.089 -1.414 . . . . 1.0 113.318 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.51 -60.06 1.58 Allowed Glycine 0 C--N 1.368 2.346 0 CA-C-O 117.85 -1.528 . . . . 1.0 116.591 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 104' ' ' ARG . 20.5 mtm -37.97 115.54 0.44 Allowed 'General case' 0 C--N 1.403 2.896 0 O-C-N 128.714 3.244 . . . . 1.0 110.948 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.81 139.67 18.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 114.846 -1.07 . . . . 1.0 112.801 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 101' ' ' LYS . 3.0 mm? -94.8 123.9 38.52 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 126.016 2.072 . . . . 1.0 113.156 176.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.91 131.13 55.57 Favored 'General case' 0 C--O 1.261 1.701 0 O-C-N 125.097 1.498 . . . . 1.0 110.783 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.28 131.42 65.03 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 O-C-N 124.641 1.213 . . . . 1.0 108.819 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -83.63 134.76 44.24 Favored Pre-proline 0 C--N 1.376 1.72 0 O-C-N 125.6 1.812 . . . . 1.0 109.911 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -67.55 118.88 5.92 Favored 'Trans proline' 0 C--N 1.409 3.745 0 N-CA-C 117.377 2.029 . . . . 1.0 117.377 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 141.75 58.27 Favored 'General case' 0 C--O 1.271 2.237 0 CA-C-N 110.697 -2.956 . . . . 1.0 109.114 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.668 ' HG3' HG13 ' A' ' 76' ' ' VAL . 2.6 tt0 -136.35 149.33 48.31 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 123.996 0.81 . . . . 1.0 111.905 -172.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -90.73 120.23 31.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 106.335 -1.728 . . . . 1.0 106.335 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -91.02 0.48 57.53 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.436 1.272 . . . . 1.0 114.436 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -99.8 -49.1 4.47 Favored 'General case' 0 C--N 1.362 1.148 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.94 -21.41 18.05 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 124.508 1.13 . . . . 1.0 113.032 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.53 -18.15 57.38 Favored Glycine 0 C--N 1.38 2.974 0 O-C-N 124.782 1.301 . . . . 1.0 113.562 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -53.0 131.71 36.57 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 125.199 1.176 . . . . 1.0 113.148 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.668 HG13 ' HG3' ' A' ' 69' ' ' GLN . 6.7 t -105.67 130.1 57.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.092 0 O-C-N 125.744 1.902 . . . . 1.0 109.461 -176.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.78 147.6 24.22 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.08 1.487 . . . . 1.0 111.381 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.37 153.38 43.06 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 124.781 1.301 . . . . 1.0 110.589 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.89 116.91 9.91 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.367 1.042 . . . . 1.0 111.306 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -123.31 174.51 7.27 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.665 -1.607 . . . . 1.0 110.482 -175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.45 HG13 ' H ' ' A' ' 81' ' ' ILE . 0.6 OUTLIER -103.63 46.3 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.675 0 CA-C-N 114.458 -1.246 . . . . 1.0 111.906 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.64 170.89 7.82 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 122.24 -0.288 . . . . 1.0 111.185 -175.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -119.03 126.4 27.1 Favored Pre-proline 0 CA--C 1.579 2.063 0 O-C-N 124.499 1.124 . . . . 1.0 108.427 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -77.97 146.18 22.93 Favored 'Trans proline' 0 C--N 1.389 2.684 0 C-N-CA 121.429 1.42 . . . . 1.0 115.597 171.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -97.04 -26.49 14.98 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.514 1.759 . . . . 1.0 111.044 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -146.83 141.37 26.57 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 123.702 0.801 . . . . 1.0 110.17 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 124.52 86.28 Favored Pre-proline 0 C--N 1.398 2.679 0 O-C-N 124.603 1.19 . . . . 1.0 109.795 176.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.34 -34.03 36.54 Favored 'Trans proline' 0 C--N 1.413 3.957 0 C-N-CA 122.57 2.18 . . . . 1.0 117.26 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.42 -43.73 18.51 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.621 1.201 . . . . 1.0 111.895 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 6.0 p -118.42 -117.81 0.32 Allowed 'General case' 0 N--CA 1.397 -3.083 0 O-C-N 125.72 1.887 . . . . 1.0 110.609 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -165.34 2.36 0.03 OUTLIER 'General case' 0 C--O 1.275 2.436 0 O-C-N 124.888 1.367 . . . . 1.0 113.671 -170.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 p -45.36 174.91 0.0 OUTLIER 'General case' 0 C--O 1.28 2.665 0 O-C-N 125.586 1.804 . . . . 1.0 114.266 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.95 -30.63 0.8 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.451 -1.25 . . . . 1.0 113.397 -165.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 94.23 9.55 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.889 2.618 . . . . 1.0 112.393 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 138.68 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 114.553 -1.203 . . . . 1.0 108.484 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.36 131.68 42.64 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 125.883 1.99 . . . . 1.0 108.85 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.17 138.51 72.12 Favored Pre-proline 0 C--O 1.254 1.336 0 O-C-N 124.259 0.974 . . . . 1.0 112.238 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.23 157.84 55.46 Favored 'Trans proline' 1 C--N 1.418 4.22 0 C-N-CA 121.646 1.564 . . . . 1.0 114.43 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -112.74 138.24 49.84 Favored 'General case' 0 C--O 1.26 1.62 0 CA-C-N 113.787 -1.551 . . . . 1.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.65 130.2 56.77 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 125.236 1.585 . . . . 1.0 110.122 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.563 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 23.7 mttt -138.46 153.23 48.83 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 124.485 1.116 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.61 129.29 55.66 Favored 'General case' 0 C--O 1.264 1.858 0 O-C-N 124.48 1.113 . . . . 1.0 109.539 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -124.33 148.38 47.52 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.054 -0.975 . . . . 1.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 61' ' ' MET . 49.6 mtt180 -104.77 120.02 40.39 Favored 'General case' 0 C--O 1.259 1.6 0 O-C-N 125.3 1.625 . . . . 1.0 110.67 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 2 N--CA 1.56 5.036 0 C-N-CA 126.935 2.094 . . . . 1.0 112.046 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.005 0 N-CA-C 110.123 -0.325 . . . . 1.0 110.123 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -112.02 -22.16 11.17 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.863 1.352 . . . . 1.0 113.437 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.81 127.09 47.4 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.176 1.547 . . . . 1.0 111.409 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.5 146.86 43.25 Favored 'General case' 0 C--O 1.26 1.612 0 O-C-N 125.081 1.488 . . . . 1.0 110.926 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 118.06 30.65 Favored 'General case' 0 C--O 1.268 2.049 0 O-C-N 125.119 1.512 . . . . 1.0 110.207 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -118.54 138.47 52.51 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 124.73 1.269 . . . . 1.0 111.245 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -115.08 130.78 57.02 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 125.153 1.533 . . . . 1.0 110.608 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.22 158.02 16.46 Favored Glycine 0 C--O 1.259 1.661 0 O-C-N 125.308 1.63 . . . . 1.0 112.154 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -85.69 -25.88 26.26 Favored 'General case' 0 C--O 1.265 1.906 0 O-C-N 125.057 1.092 . . . . 1.0 113.415 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.73 41.12 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 125.163 1.539 . . . . 1.0 113.406 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -82.74 -40.79 20.05 Favored 'General case' 0 C--N 1.373 1.624 0 O-C-N 124.974 1.421 . . . . 1.0 112.803 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 16' ' ' ILE . 84.8 mtt180 -61.13 -39.26 89.34 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 127.388 2.93 . . . . 1.0 112.169 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -70.64 -36.36 73.39 Favored 'General case' 0 C--N 1.388 2.281 0 O-C-N 125.711 1.882 . . . . 1.0 112.94 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.8 mt-10 -65.56 -33.02 74.94 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 126.114 2.134 . . . . 1.0 112.879 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -70.14 -25.46 63.48 Favored 'General case' 0 C--N 1.38 1.92 0 O-C-N 124.771 1.294 . . . . 1.0 113.328 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 36.5 mm -68.64 -46.75 79.39 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 124.62 1.2 . . . . 1.0 112.042 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -79.93 3.31 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.158 0 O-C-N 126.061 2.101 . . . . 1.0 113.284 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -107.95 -40.18 5.32 Favored 'General case' 0 C--N 1.392 2.433 0 C-N-CA 124.093 0.957 . . . . 1.0 112.618 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -22.5 20.7 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 124.881 1.363 . . . . 1.0 112.888 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.602 HD12 HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -81.85 -10.5 59.3 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.686 1.195 . . . . 1.0 114.002 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.9 -10.17 51.47 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.988 1.315 . . . . 1.0 112.667 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.57 -26.15 12.46 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 125.222 1.576 . . . . 1.0 113.716 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.53 -173.7 31.54 Favored Glycine 0 C--O 1.264 1.978 0 O-C-N 124.723 1.264 . . . . 1.0 111.936 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.516 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 2.4 p-10 -116.01 130.71 56.94 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 124.494 0.761 . . . . 1.0 110.586 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 42.7 m-85 -137.25 144.39 42.73 Favored 'General case' 0 C--O 1.271 2.203 0 O-C-N 124.634 1.209 . . . . 1.0 110.043 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 m -72.82 159.91 84.17 Favored Pre-proline 0 C--O 1.256 1.42 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.462 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HB3' HG21 ' A' ' 45' ' ' ILE . 86.8 Cg_exo -53.12 -45.28 42.21 Favored 'Trans proline' 1 C--N 1.431 4.918 0 C-N-CA 122.765 2.31 . . . . 1.0 114.947 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -66.56 -27.18 67.54 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 124.609 1.193 . . . . 1.0 112.896 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 10.1 mt-10 -76.14 -39.71 54.41 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 125.732 1.895 . . . . 1.0 112.914 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -63.85 1.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 127.835 3.21 . . . . 1.0 111.125 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.47 -20.57 1.9 Allowed 'General case' 0 C--N 1.377 1.798 0 N-CA-C 114.749 1.388 . . . . 1.0 114.749 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -41.79 73.32 Favored 'General case' 0 C--N 1.398 2.703 0 O-C-N 125.009 1.443 . . . . 1.0 112.882 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -81.07 84.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.038 0 O-C-N 125.599 1.812 . . . . 1.0 109.063 173.256 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' H ' ' H ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -172.19 -8.99 0.01 OUTLIER 'General case' 0 C--O 1.257 1.487 0 O-C-N 120.286 -1.509 . . . . 1.0 112.826 -171.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' H ' ' H ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 62.42 27.94 16.57 Favored 'General case' 0 C--N 1.413 3.364 0 O-C-N 125.572 1.795 . . . . 1.0 111.662 -173.545 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mtm -131.28 156.45 45.42 Favored 'General case' 0 C--O 1.264 1.817 0 CA-C-N 114.71 -1.132 . . . . 1.0 111.367 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -96.04 132.59 41.23 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 125.145 1.528 . . . . 1.0 109.751 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.87 127.72 6.8 Favored Glycine 0 C--N 1.352 1.471 0 O-C-N 125.238 1.586 . . . . 1.0 112.55 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -109.21 -41.5 4.65 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 125.811 1.536 . . . . 1.0 112.287 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.32 85.66 0.24 Allowed Glycine 0 C--N 1.37 2.439 0 O-C-N 125.322 1.639 . . . . 1.0 111.371 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -11.28 9.5 Favored 'General case' 0 C--O 1.271 2.187 0 O-C-N 126.095 1.703 . . . . 1.0 112.856 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 45' ' ' ILE . 40.8 mttt -64.11 -52.09 60.82 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-O 117.648 -1.167 . . . . 1.0 113.352 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -74.56 -29.82 61.5 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 125.268 1.605 . . . . 1.0 113.935 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.64 -42.12 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 125.979 2.049 . . . . 1.0 111.338 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.04 -22.67 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.628 0 O-C-N 125.506 1.754 . . . . 1.0 113.257 178.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 49' ' ' LEU . 22.3 mt -76.42 -35.33 58.6 Favored 'General case' 0 C--N 1.372 1.559 0 O-C-N 124.899 1.374 . . . . 1.0 112.433 -177.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.13 -27.4 57.05 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 126.836 2.585 . . . . 1.0 111.806 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.29 -34.58 78.32 Favored 'General case' 0 C--N 1.394 2.536 0 O-C-N 125.231 1.582 . . . . 1.0 112.244 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mt -65.79 -33.04 74.93 Favored 'General case' 0 C--N 1.386 2.172 0 O-C-N 125.599 1.812 . . . . 1.0 113.189 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.72 -36.08 81.83 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.267 2.23 . . . . 1.0 112.58 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.29 -44.42 42.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.803 0 C-N-CA 124.978 1.311 . . . . 1.0 111.254 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.76 -32.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 O-C-N 125.682 1.864 . . . . 1.0 111.466 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -64.2 -31.85 73.21 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.93 1.394 . . . . 1.0 113.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.12 -34.32 68.49 Favored 'General case' 0 C--N 1.385 2.115 0 O-C-N 125.333 1.646 . . . . 1.0 113.678 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -85.2 -40.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 O-C-N 125.518 1.762 . . . . 1.0 111.983 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.75 -25.38 64.83 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 126.68 2.488 . . . . 1.0 113.774 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -88.29 -35.26 17.34 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.115 2.134 . . . . 1.0 115.199 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -69.5 -19.28 63.73 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 113.851 -1.522 . . . . 1.0 113.23 167.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 6.9 44.05 Favored 'General case' 0 C--O 1.276 2.48 0 CA-C-N 113.313 -1.767 . . . . 1.0 113.012 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.18 34.46 89.17 Favored Glycine 0 C--N 1.391 3.631 0 CA-C-O 117.864 -1.52 . . . . 1.0 114.474 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 mtm -120.76 147.69 44.98 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 125.044 1.085 . . . . 1.0 108.964 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 114.527 -1.215 . . . . 1.0 110.835 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -98.86 127.98 44.93 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 124.887 1.367 . . . . 1.0 110.213 176.382 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 126.9 53.51 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.541 1.151 . . . . 1.0 111.061 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -111.35 132.19 60.57 Favored 'Isoleucine or valine' 0 C--O 1.269 2.118 0 O-C-N 124.943 1.402 . . . . 1.0 108.962 -178.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.58 135.19 46.61 Favored Pre-proline 0 C--O 1.27 2.146 0 O-C-N 125.872 1.982 . . . . 1.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.97 126.91 14.44 Favored 'Trans proline' 1 C--N 1.418 4.229 0 C-N-CA 122.189 1.926 . . . . 1.0 115.157 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.14 58.26 Favored 'General case' 0 C--O 1.259 1.581 0 CA-C-N 110.938 -2.846 . . . . 1.0 109.425 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 76' ' ' VAL . 1.8 tt0 -136.29 148.12 47.81 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.186 0.929 . . . . 1.0 110.882 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 64.5 m -86.99 121.46 29.49 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 124.888 1.367 . . . . 1.0 108.586 172.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -88.71 -5.4 58.13 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.692 1.367 . . . . 1.0 114.692 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -95.67 -50.23 5.03 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 124.175 0.922 . . . . 1.0 113.411 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -95.64 -19.44 19.74 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 125.882 1.989 . . . . 1.0 113.155 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.33 -18.67 57.05 Favored Glycine 0 C--N 1.379 2.937 0 O-C-N 125.651 1.844 . . . . 1.0 114.123 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.02 132.84 43.23 Favored 'General case' 0 C--N 1.406 3.032 0 O-C-N 126.553 1.972 . . . . 1.0 111.512 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 69' ' ' GLN . 13.9 p -104.1 131.86 51.93 Favored 'Isoleucine or valine' 0 C--O 1.26 1.639 0 CA-C-N 113.586 -1.643 . . . . 1.0 110.029 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.77 149.85 23.75 Favored 'General case' 0 C--O 1.259 1.563 0 O-C-N 125.439 1.712 . . . . 1.0 111.298 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 146.43 54.67 Favored 'General case' 0 C--O 1.262 1.714 0 CA-C-N 114.562 -1.199 . . . . 1.0 110.584 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.06 117.7 9.48 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.675 1.235 . . . . 1.0 110.796 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.5 178.19 5.53 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 113.358 -1.747 . . . . 1.0 110.088 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.576 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -106.58 -80.82 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.738 0 CA-C-N 113.817 -1.538 . . . . 1.0 109.678 -179.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.576 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.8 m-80 -63.18 143.45 57.78 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 124.577 1.173 . . . . 1.0 108.782 171.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.1 147.2 33.78 Favored Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 124.859 1.349 . . . . 1.0 111.363 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -79.31 159.62 26.18 Favored 'Trans proline' 1 C--N 1.414 4.01 0 C-N-CA 121.893 1.729 . . . . 1.0 114.439 169.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 -21.84 22.5 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.815 1.322 . . . . 1.0 111.976 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -151.73 153.44 34.34 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 124.702 1.252 . . . . 1.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.55 142.85 67.09 Favored Pre-proline 0 C--O 1.256 1.441 0 O-C-N 125.376 1.672 . . . . 1.0 111.246 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -70.39 -17.75 34.51 Favored 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 122.34 2.027 . . . . 1.0 115.278 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -86.11 -64.86 1.08 Allowed 'General case' 0 C--N 1.37 1.495 0 O-C-N 125.483 1.739 . . . . 1.0 110.882 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 6.4 p -120.53 -169.11 1.75 Allowed 'General case' 0 C--O 1.266 1.93 0 O-C-N 124.452 1.095 . . . . 1.0 110.166 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -106.26 26.94 9.18 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 124.66 1.225 . . . . 1.0 111.594 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.17 112.77 3.56 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 114.856 -1.066 . . . . 1.0 110.294 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.03 5.53 48.47 Favored 'General case' 0 C--O 1.273 2.341 0 CA-C-N 113.465 -1.698 . . . . 1.0 114.013 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 88.12 4.51 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 122.158 0.98 . . . . 1.0 111.698 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.29 144.01 30.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.572 0 CA-C-N 113.493 -1.685 . . . . 1.0 109.214 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.08 132.72 36.37 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 125.648 1.842 . . . . 1.0 109.786 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.22 139.54 48.85 Favored Pre-proline 0 C--O 1.262 1.726 0 O-C-N 124.13 0.894 . . . . 1.0 111.625 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.43 160.24 43.72 Favored 'Trans proline' 1 C--N 1.421 4.36 0 C-N-CA 121.651 1.567 . . . . 1.0 114.305 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -113.94 139.33 49.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 125.533 1.771 . . . . 1.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 65' ' ' ILE . 68.5 m-85 -115.86 129.55 56.46 Favored 'General case' 0 C--O 1.261 1.703 0 O-C-N 125.429 1.706 . . . . 1.0 110.147 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 15.6 mttt -139.76 151.81 46.1 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 124.785 1.303 . . . . 1.0 110.788 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.403 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.46 130.96 54.53 Favored 'General case' 0 C--O 1.272 2.241 0 O-C-N 125.007 1.442 . . . . 1.0 110.132 178.693 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.5 136.74 54.68 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 125.091 1.495 . . . . 1.0 110.439 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -97.83 119.81 37.1 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 125.561 1.788 . . . . 1.0 111.267 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 2 N--CA 1.559 4.985 0 C-N-CA 126.909 2.083 . . . . 1.0 111.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.553 0 N-CA-C 111.308 0.114 . . . . 1.0 111.308 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -114.52 134.23 55.18 Favored 'General case' 0 C--O 1.26 1.623 0 O-C-N 125.197 1.561 . . . . 1.0 111.103 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -111.75 130.79 55.68 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 125.202 1.564 . . . . 1.0 111.036 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -113.75 123.19 49.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 125.652 1.845 . . . . 1.0 111.826 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -115.02 135.93 53.69 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 125.552 1.782 . . . . 1.0 109.953 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 67.29 134.2 0.02 OUTLIER 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 128.434 2.694 . . . . 1.0 113.183 -178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 127.78 53.08 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 125.22 1.575 . . . . 1.0 111.384 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 141.08 12.85 Favored Glycine 0 C--N 1.359 1.818 0 O-C-N 125.958 2.036 . . . . 1.0 113.484 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -81.19 -26.17 36.18 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 125.706 1.602 . . . . 1.0 113.566 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.21 56.9 Favored 'General case' 0 C--N 1.391 2.394 0 C-N-CA 126.569 1.948 . . . . 1.0 113.543 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -74.52 -42.37 59.01 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 126.115 1.766 . . . . 1.0 112.104 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -52.96 -39.53 63.01 Favored 'General case' 0 N--CA 1.538 3.952 0 O-C-N 124.903 1.377 . . . . 1.0 112.421 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.788 ' HA ' HD12 ' A' ' 16' ' ' ILE . 13.1 mtp180 -70.44 -35.97 73.67 Favored 'General case' 0 N--CA 1.526 3.345 0 C-N-CA 125.832 1.653 . . . . 1.0 112.283 172.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -65.25 -33.69 76.58 Favored 'General case' 0 N--CA 1.523 3.188 0 O-C-N 125.41 1.694 . . . . 1.0 112.624 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -65.65 -37.62 87.04 Favored 'General case' 0 C--N 1.406 3.06 0 C-N-CA 127.27 2.228 . . . . 1.0 112.651 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.8 mt -62.88 -49.31 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.753 0 C-N-CA 126.033 1.733 . . . . 1.0 108.705 174.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -68.58 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.791 0 C-N-CA 125.863 1.665 . . . . 1.0 113.874 177.445 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.37 -41.74 8.86 Favored 'General case' 0 C--N 1.396 2.621 0 C-N-CA 125.27 1.428 . . . . 1.0 112.834 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.85 -30.0 21.78 Favored 'General case' 0 C--N 1.401 2.841 0 N-CA-C 114.935 1.457 . . . . 1.0 114.935 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 100' ' ' PHE . 4.3 mm? -80.52 -9.7 59.76 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -14.99 47.02 Favored 'General case' 0 C--N 1.413 3.366 0 C-N-CA 127.051 2.14 . . . . 1.0 112.407 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -99.82 -28.88 12.91 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.42 1.488 . . . . 1.0 112.294 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.95 175.96 35.85 Favored Glycine 0 C--N 1.385 3.297 0 O-C-N 124.923 1.389 . . . . 1.0 113.681 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.596 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.6 p-10 -107.31 126.77 52.87 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 124.668 1.187 . . . . 1.0 110.047 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 54.6 m-85 -135.65 140.16 44.31 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.933 1.693 . . . . 1.0 110.069 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -77.23 161.74 71.85 Favored Pre-proline 0 N--CA 1.507 2.384 0 CA-C-O 115.783 -2.056 . . . . 1.0 112.288 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -50.32 -49.28 16.87 Favored 'Trans proline' 2 C--N 1.467 6.785 0 C-N-CA 123.657 2.904 . . . . 1.0 114.831 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.0 p -59.27 -34.02 71.75 Favored 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 125.159 1.383 . . . . 1.0 113.628 173.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 5.5 mt-10 -70.98 -35.29 72.07 Favored 'General case' 0 N--CA 1.53 3.574 0 C-N-CA 125.567 1.547 . . . . 1.0 111.265 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -9.58 47.66 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 125.575 1.797 . . . . 1.0 114.533 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.0 -33.9 10.63 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 127.23 2.212 . . . . 1.0 111.162 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.41 3.227 0 C-N-CA 126.6 1.96 . . . . 1.0 111.235 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.18 77.43 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.242 0 C-N-CA 127.253 2.221 . . . . 1.0 107.356 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 171.13 169.74 0.08 Allowed 'General case' 1 N--CA 1.544 4.254 0 C-N-CA 129.104 2.962 . . . . 1.0 111.963 -176.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 88.98 3.51 Favored 'General case' 0 C--N 1.4 2.761 0 C-N-CA 125.754 1.622 . . . . 1.0 107.835 175.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.4 mmt -115.17 139.65 49.74 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 113.59 -1.641 . . . . 1.0 112.722 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -99.92 -34.38 10.14 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 125.381 1.676 . . . . 1.0 112.988 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.13 61.17 0.31 Allowed Glycine 0 C--N 1.386 3.337 0 O-C-N 124.713 1.258 . . . . 1.0 113.87 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -112.74 -40.49 4.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 125.443 1.319 . . . . 1.0 113.052 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.6 118.47 0.46 Allowed Glycine 0 C--N 1.38 2.99 0 O-C-N 124.94 1.4 . . . . 1.0 110.744 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.91 -23.35 3.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 125.667 1.451 . . . . 1.0 113.926 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -71.94 -61.76 1.67 Allowed 'General case' 0 C--N 1.399 2.753 0 C-N-CA 125.87 1.668 . . . . 1.0 114.779 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.7 mttt -73.8 -33.17 64.09 Favored 'General case' 0 N--CA 1.52 3.068 0 C-N-CA 126.152 1.781 . . . . 1.0 114.442 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.5 -42.25 94.66 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.282 0 C-N-CA 125.85 1.66 . . . . 1.0 110.441 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.259 0.1 OUTLIER -69.75 -39.55 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.373 0 O-C-N 125.547 1.78 . . . . 1.0 112.39 177.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.632 ' HA ' HD12 ' A' ' 49' ' ' LEU . 18.6 mt -62.17 -39.64 93.33 Favored 'General case' 0 N--CA 1.517 2.918 0 C-N-CA 127.367 2.267 . . . . 1.0 113.059 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.12 -30.01 63.31 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 125.282 1.433 . . . . 1.0 111.582 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.42 -34.2 77.42 Favored 'General case' 0 N--CA 1.521 3.109 0 C-N-CA 125.617 1.567 . . . . 1.0 111.176 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 46' ' ' LEU . 7.7 mt -67.18 -34.6 77.87 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.972 1.709 . . . . 1.0 113.735 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.65 -36.85 85.18 Favored 'General case' 0 N--CA 1.523 3.194 0 C-N-CA 126.646 1.979 . . . . 1.0 112.434 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -44.5 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.79 0 C-N-CA 126.985 2.114 . . . . 1.0 111.949 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mt -65.78 -42.14 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.985 0 C-N-CA 125.583 1.553 . . . . 1.0 110.917 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -32.68 66.29 Favored 'General case' 0 N--CA 1.532 3.641 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -74.41 -36.06 63.46 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 125.319 1.448 . . . . 1.0 113.548 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -80.21 -39.0 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.486 0 O-C-N 124.721 1.263 . . . . 1.0 109.487 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.4 71.27 Favored 'General case' 0 C--N 1.413 3.354 0 N-CA-C 116.318 1.97 . . . . 1.0 116.318 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -34.06 22.57 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 124.859 1.264 . . . . 1.0 109.952 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -68.77 -29.87 68.35 Favored 'General case' 0 N--CA 1.535 3.786 0 O-C-N 126.228 2.205 . . . . 1.0 112.474 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.75 5.07 33.97 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 125.931 2.019 . . . . 1.0 112.45 175.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.17 35.54 91.68 Favored Glycine 0 C--N 1.397 3.966 0 C-N-CA 125.5 1.524 . . . . 1.0 116.301 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.3 mtt -120.23 143.22 48.4 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 126.696 1.998 . . . . 1.0 109.691 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.02 124.51 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 124.656 1.222 . . . . 1.0 111.672 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.83 122.98 44.35 Favored 'General case' 0 C--N 1.376 1.736 0 O-C-N 125.623 1.827 . . . . 1.0 109.528 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.78 125.09 51.57 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 125.631 1.832 . . . . 1.0 109.748 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -105.05 127.36 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.684 -2.053 . . . . 1.0 107.3 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.99 130.62 72.22 Favored Pre-proline 0 CA--C 1.583 2.227 0 O-C-N 125.393 1.683 . . . . 1.0 110.772 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.78 123.53 11.8 Favored 'Trans proline' 1 C--N 1.453 6.066 0 C-N-CA 123.001 2.467 . . . . 1.0 116.472 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.39 139.18 58.55 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 112.936 -1.938 . . . . 1.0 109.844 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG3' HG13 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -138.29 147.22 43.38 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 113.271 0.841 . . . . 1.0 113.271 -172.423 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -91.01 117.69 29.78 Favored 'General case' 0 C--N 1.384 2.072 0 O-C-N 125.323 1.639 . . . . 1.0 107.154 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -88.19 -10.87 48.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.119 1.768 . . . . 1.0 114.931 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.27 -45.61 7.76 Favored 'General case' 0 C--N 1.38 1.895 0 C-N-CA 125.471 1.508 . . . . 1.0 113.454 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.46 -27.29 15.47 Favored 'General case' 0 C--N 1.386 2.19 0 O-C-N 125.081 1.488 . . . . 1.0 113.38 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.77 -20.98 43.97 Favored Glycine 0 C--N 1.378 2.886 0 O-C-N 125.146 1.529 . . . . 1.0 114.036 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.01 125.48 10.58 Favored 'General case' 0 C--N 1.402 2.85 0 C-N-CA 125.864 1.665 . . . . 1.0 113.886 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' HG3' ' A' ' 69' ' ' GLN . 3.2 t -100.61 120.66 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 125.707 1.88 . . . . 1.0 109.088 -177.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -103.9 147.6 27.14 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 126.957 2.66 . . . . 1.0 110.538 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.79 138.81 58.17 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 124.127 0.971 . . . . 1.0 113.174 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.18 109.8 0.59 Allowed 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.422 1.489 . . . . 1.0 112.74 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -118.74 170.49 8.94 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.708 -2.042 . . . . 1.0 113.157 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.426 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -100.72 -88.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 CA-C-N 112.864 -1.971 . . . . 1.0 106.491 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.426 ' H ' HD12 ' A' ' 81' ' ' ILE . 7.9 p30 -57.04 144.91 32.43 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-O 117.573 -1.203 . . . . 1.0 110.717 173.55 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.59 131.54 22.84 Favored Pre-proline 0 N--CA 1.516 2.832 0 CA-C-O 117.521 -1.228 . . . . 1.0 110.561 -174.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -70.61 139.28 36.95 Favored 'Trans proline' 1 C--N 1.462 6.507 0 C-N-CA 123.416 2.744 . . . . 1.0 112.447 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 m -66.71 -32.45 73.76 Favored 'General case' 0 N--CA 1.522 3.164 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -151.14 121.24 7.19 Favored 'General case' 0 C--N 1.386 2.156 0 C-N-CA 126.01 1.724 . . . . 1.0 110.612 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 90' ' ' CYS . 64.2 m -61.97 154.68 67.36 Favored Pre-proline 0 CA--C 1.619 3.611 0 CA-C-O 115.075 -2.393 . . . . 1.0 110.905 172.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.87 -48.2 23.39 Favored 'Trans proline' 2 C--N 1.474 7.166 0 CA-C-N 125.402 2.965 . . . . 1.0 115.218 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -120.8 141.31 50.64 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.869 2.068 . . . . 1.0 105.835 172.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 87' ' ' CYS . 42.4 t 68.97 131.17 0.03 OUTLIER 'General case' 1 N--CA 1.545 4.305 0 C-N-CA 127.082 2.153 . . . . 1.0 109.371 -174.693 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -119.56 41.19 3.19 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 125.067 1.479 . . . . 1.0 112.83 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 125.6 24.51 Favored 'General case' 0 C--N 1.387 2.201 0 C-N-CA 125.879 1.672 . . . . 1.0 113.269 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -87.51 1.11 54.45 Favored 'General case' 0 CA--C 1.575 1.932 0 O-C-N 125.901 2.001 . . . . 1.0 112.167 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -107.71 90.42 3.29 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.013 1.725 . . . . 1.0 107.763 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.78 143.77 39.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.557 0 CA-C-N 111.63 -2.532 . . . . 1.0 106.457 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -84.96 129.08 34.86 Favored 'General case' 0 C--N 1.382 2.013 0 C-N-CA 124.935 1.294 . . . . 1.0 110.052 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 133.54 64.28 Favored Pre-proline 0 CA--C 1.574 1.892 0 O-C-N 124.567 1.167 . . . . 1.0 112.353 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.29 153.15 76.15 Favored 'Trans proline' 1 C--N 1.446 5.695 0 C-N-CA 124.025 3.15 . . . . 1.0 114.621 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -113.64 132.58 55.71 Favored 'General case' 0 C--N 1.385 2.113 0 C-N-CA 124.666 1.186 . . . . 1.0 109.531 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PHE . . . . . 0.459 ' O ' HD12 ' A' ' 20' ' ' LEU . 97.8 m-85 -112.69 124.21 52.06 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 125.79 1.932 . . . . 1.0 109.236 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.596 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 4.8 mttt -134.71 148.67 50.35 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.222 1.409 . . . . 1.0 110.697 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.43 128.92 54.47 Favored 'General case' 0 C--O 1.263 1.793 0 C-N-CA 124.947 1.299 . . . . 1.0 109.888 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.71 129.6 55.36 Favored 'General case' 0 C--O 1.261 1.666 0 O-C-N 125.369 1.668 . . . . 1.0 110.667 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -95.1 116.87 29.28 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 125.685 1.865 . . . . 1.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 2 N--CA 1.559 4.989 0 C-N-CA 126.987 2.115 . . . . 1.0 111.864 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.556 0 N-CA-C 110.247 -0.279 . . . . 1.0 110.247 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -111.43 161.94 15.59 Favored 'General case' 0 C--O 1.254 1.295 0 O-C-N 123.993 0.808 . . . . 1.0 111.059 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -69.75 -30.01 67.5 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.2 0.937 . . . . 1.0 112.754 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -109.02 119.04 38.37 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 125.637 1.836 . . . . 1.0 111.225 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -119.86 160.08 23.35 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 114.565 -1.198 . . . . 1.0 110.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -89.05 120.91 30.87 Favored 'General case' 0 C--O 1.259 1.593 0 O-C-N 123.881 0.738 . . . . 1.0 111.879 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -118.95 137.66 53.34 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.954 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.86 125.08 0.89 Allowed Glycine 0 CA--C 1.49 -1.499 0 O-C-N 124.968 1.418 . . . . 1.0 112.332 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -86.47 -29.47 22.76 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 125.035 1.079 . . . . 1.0 112.944 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.46 -27.17 37.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 124.727 1.267 . . . . 1.0 113.189 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -82.77 -34.65 27.02 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 124.517 1.136 . . . . 1.0 112.778 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -59.31 -36.98 76.62 Favored 'General case' 0 C--N 1.382 2.015 0 O-C-N 126.509 2.381 . . . . 1.0 112.183 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.781 ' HA ' HD12 ' A' ' 16' ' ' ILE . 56.3 mtt180 -70.95 -35.36 72.15 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 125.11 1.506 . . . . 1.0 112.124 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 17' ' ' ILE . 20.2 mt-10 -65.98 -32.6 74.17 Favored 'General case' 0 C--N 1.37 1.476 0 O-C-N 125.816 1.948 . . . . 1.0 112.448 175.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.42 -29.27 66.96 Favored 'General case' 0 C--N 1.379 1.854 0 O-C-N 124.232 0.958 . . . . 1.0 112.982 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.5 mt -67.38 -45.9 84.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 O-C-N 124.443 1.089 . . . . 1.0 111.173 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -79.59 2.71 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 O-C-N 124.317 1.011 . . . . 1.0 113.285 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -109.15 -40.04 5.08 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 115.485 -0.78 . . . . 1.0 112.757 -175.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -20.01 24.37 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 124.823 1.327 . . . . 1.0 112.999 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.99 -9.31 58.18 Favored 'General case' 0 C--O 1.263 1.787 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -8.87 55.03 Favored 'General case' 0 C--N 1.39 2.338 0 C-N-CA 124.299 1.04 . . . . 1.0 112.358 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -104.33 -26.03 12.63 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.84 1.338 . . . . 1.0 113.361 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.15 -174.38 33.87 Favored Glycine 0 C--O 1.259 1.697 0 O-C-N 124.508 1.13 . . . . 1.0 112.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.72 132.22 54.38 Favored 'General case' 0 C--O 1.26 1.64 0 C-N-CA 122.601 0.36 . . . . 1.0 110.294 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 39.0 m-85 -140.05 142.59 36.16 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-N 115.304 -0.862 . . . . 1.0 109.9 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 160.33 77.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 CA-C-O 117.627 -1.177 . . . . 1.0 110.612 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -53.13 -43.23 58.82 Favored 'Trans proline' 0 C--N 1.414 3.993 0 C-N-CA 122.792 2.328 . . . . 1.0 115.348 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -63.57 -29.85 71.05 Favored 'General case' 0 C--N 1.39 2.328 0 O-C-N 124.613 1.196 . . . . 1.0 111.909 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 3.4 mt-10 -76.64 -37.21 56.68 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.469 1.73 . . . . 1.0 111.9 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.63 -3.49 12.08 Favored 'General case' 0 C--N 1.382 2.008 0 O-C-N 126.194 2.184 . . . . 1.0 111.76 171.266 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.96 -28.31 12.82 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 124.9 1.375 . . . . 1.0 111.71 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -64.68 -45.95 84.48 Favored 'General case' 0 C--N 1.384 2.076 0 O-C-N 124.622 1.201 . . . . 1.0 112.001 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -79.86 77.34 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.92 0 C-N-CA 124.328 1.051 . . . . 1.0 109.779 174.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 0.1 OUTLIER 167.77 -178.96 0.03 OUTLIER 'General case' 0 C--O 1.255 1.355 0 O-C-N 122.048 -0.407 . . . . 1.0 110.79 -175.454 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -116.82 45.46 1.84 Allowed 'General case' 0 C--O 1.257 1.462 0 O-C-N 125.089 1.493 . . . . 1.0 110.508 175.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.507 ' HG2' ' HB3' ' A' ' 34' ' ' LEU . 1.5 ptp -117.27 161.0 20.21 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.744 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -103.56 147.77 26.78 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 124.941 1.401 . . . . 1.0 109.341 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.81 -125.86 2.6 Favored Glycine 0 C--O 1.262 1.879 0 O-C-N 124.306 1.004 . . . . 1.0 111.805 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 56.81 67.8 0.94 Allowed 'General case' 0 N--CA 1.517 2.878 0 C-N-CA 124.916 1.287 . . . . 1.0 111.771 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.27 0.86 Allowed Glycine 0 C--N 1.351 1.369 0 CA-C-N 114.842 -1.072 . . . . 1.0 113.587 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 45' ' ' ILE . 15.3 p -118.75 -17.5 9.18 Favored 'General case' 0 C--O 1.247 0.945 0 O-C-N 125.235 1.197 . . . . 1.0 112.332 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.46 -42.0 96.2 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.4 1.063 . . . . 1.0 113.324 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -72.92 -28.11 62.26 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.341 1.651 . . . . 1.0 113.219 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.03 -42.73 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 125.018 1.449 . . . . 1.0 111.601 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 41' ' ' SER . 18.0 mm -74.06 -39.08 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 125.36 1.662 . . . . 1.0 112.284 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.3 mt -64.2 -34.88 79.1 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 125.538 1.773 . . . . 1.0 112.44 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.73 -26.89 57.89 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 125.766 1.916 . . . . 1.0 111.312 173.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.396 2.591 0 O-C-N 124.64 1.213 . . . . 1.0 111.729 173.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.94 -32.68 74.1 Favored 'General case' 0 C--N 1.377 1.794 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.17 -36.19 82.79 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 126.72 2.512 . . . . 1.0 112.635 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -74.93 -44.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 124.86 1.264 . . . . 1.0 112.095 179.171 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' A' ' 55' ' ' ILE . 6.8 mt -72.64 -32.81 42.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 125.266 1.604 . . . . 1.0 111.713 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -64.31 -31.78 73.12 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.121 1.513 . . . . 1.0 112.795 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.02 -33.98 70.88 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 124.892 1.37 . . . . 1.0 112.935 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 52' ' ' ILE . 2.6 mt -84.3 -39.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 125.024 1.453 . . . . 1.0 111.534 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -59.17 -26.6 64.91 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 125.878 1.986 . . . . 1.0 113.574 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -88.65 -35.7 16.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 125.908 2.005 . . . . 1.0 115.102 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.06 -20.11 63.24 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 114.128 -1.396 . . . . 1.0 111.792 167.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -105.14 11.26 33.38 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-N 114.012 -1.449 . . . . 1.0 112.903 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.35 -60.51 2.35 Favored Glycine 0 C--N 1.375 2.699 0 CA-C-O 118.661 -1.077 . . . . 1.0 115.294 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ALA . 20.5 mtm -39.54 115.76 0.54 Allowed 'General case' 0 C--N 1.391 2.383 0 O-C-N 127.526 2.545 . . . . 1.0 111.252 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.56 134.92 42.06 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 CA-C-N 114.529 -1.214 . . . . 1.0 111.174 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.626 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -93.76 126.93 39.21 Favored 'General case' 0 C--O 1.259 1.571 0 O-C-N 124.978 1.424 . . . . 1.0 110.395 177.262 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.76 128.67 47.99 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 124.237 0.96 . . . . 1.0 111.03 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.39 127.69 68.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 135.63 44.74 Favored Pre-proline 0 C--N 1.366 1.291 0 O-C-N 125.342 1.651 . . . . 1.0 110.591 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -68.43 124.89 12.13 Favored 'Trans proline' 0 C--N 1.404 3.452 0 C-N-CA 122.26 1.973 . . . . 1.0 116.073 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 98' ' ' PRO . . . -69.72 141.09 53.54 Favored 'General case' 0 C--N 1.363 1.158 0 CA-C-N 111.116 -2.765 . . . . 1.0 110.004 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.77 158.12 44.63 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.318 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 93.1 m -89.33 125.34 35.08 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 125.21 1.569 . . . . 1.0 108.857 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -91.22 -4.33 56.12 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 113.886 1.069 . . . . 1.0 113.886 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -95.54 -49.15 5.53 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 113.367 0.877 . . . . 1.0 113.367 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.2 p -95.5 -20.75 18.78 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 125.384 1.677 . . . . 1.0 112.817 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.97 -18.33 57.71 Favored Glycine 0 C--N 1.374 2.69 0 O-C-N 125.026 1.454 . . . . 1.0 113.609 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.54 131.42 34.01 Favored 'General case' 0 C--N 1.395 2.584 0 O-C-N 125.63 1.429 . . . . 1.0 111.835 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.2 127.42 62.97 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 O-C-N 125.434 1.709 . . . . 1.0 110.147 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -96.21 149.68 21.38 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.589 1.806 . . . . 1.0 111.22 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.46 148.15 52.28 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 124.379 1.049 . . . . 1.0 110.55 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.25 110.38 2.2 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 124.499 1.124 . . . . 1.0 110.979 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 177.51 5.38 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 113.813 -1.54 . . . . 1.0 110.006 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.55 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -105.64 -82.37 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 CA-C-N 113.934 -1.484 . . . . 1.0 109.755 -179.089 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.55 ' H ' HD12 ' A' ' 81' ' ' ILE . 18.9 m-80 -64.66 146.82 54.15 Favored 'General case' 0 C--O 1.27 2.177 0 O-C-N 124.592 1.183 . . . . 1.0 108.978 172.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mt -112.41 137.3 21.54 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.352 1.033 . . . . 1.0 110.504 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -73.27 152.43 50.05 Favored 'Trans proline' 0 C--N 1.411 3.822 0 C-N-CA 121.855 1.703 . . . . 1.0 114.245 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.5 m -84.2 -20.28 32.6 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 114.291 -1.322 . . . . 1.0 112.335 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -143.73 144.25 31.76 Favored 'General case' 0 C--O 1.261 1.679 0 O-C-N 124.286 0.991 . . . . 1.0 110.788 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 90' ' ' CYS . 10.9 t -77.45 141.15 65.31 Favored Pre-proline 0 C--O 1.255 1.351 0 O-C-N 124.332 1.02 . . . . 1.0 110.26 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -69.74 -14.91 36.81 Favored 'Trans proline' 0 C--N 1.405 3.526 0 C-N-CA 122.028 1.818 . . . . 1.0 115.461 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -69.26 0.74 Allowed 'General case' 0 C--N 1.364 1.219 0 O-C-N 124.715 1.259 . . . . 1.0 110.56 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 87' ' ' CYS . 6.9 p -118.58 -170.2 1.85 Allowed 'General case' 0 C--O 1.257 1.49 0 O-C-N 124.101 0.876 . . . . 1.0 110.329 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -102.73 24.55 10.4 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 114.999 -1.0 . . . . 1.0 111.824 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 112.9 4.79 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.348 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.51 12.0 24.44 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 113.813 -1.54 . . . . 1.0 113.803 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.76 88.04 6.52 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-O 121.98 0.895 . . . . 1.0 112.294 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.2 138.52 45.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 CA-C-N 114.134 -1.394 . . . . 1.0 109.427 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.82 132.96 37.71 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 125.582 1.801 . . . . 1.0 109.224 174.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.65 142.31 57.17 Favored Pre-proline 0 C--N 1.365 1.254 0 O-C-N 123.654 0.596 . . . . 1.0 112.041 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.427 ' HG3' ' HB2' ' A' ' 68' ' ' ALA . 38.7 Cg_exo -71.28 163.28 39.66 Favored 'Trans proline' 0 C--N 1.411 3.831 0 C-N-CA 121.895 1.73 . . . . 1.0 115.206 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -110.51 133.86 52.9 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 114.032 -1.44 . . . . 1.0 109.937 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -116.59 126.48 53.33 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 124.946 1.404 . . . . 1.0 110.18 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -140.24 156.77 46.35 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 124.595 1.184 . . . . 1.0 111.122 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.626 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -122.15 131.17 53.82 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 124.226 0.953 . . . . 1.0 110.001 177.817 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.83 141.09 51.59 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 124.456 1.097 . . . . 1.0 110.38 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -94.41 117.65 30.43 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.149 1.531 . . . . 1.0 111.486 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 5.015 0 C-N-CA 126.937 2.095 . . . . 1.0 111.95 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 N--CA 1.509 2.484 0 N-CA-C 113.819 1.044 . . . . 1.0 113.819 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.91 -36.91 59.27 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 126.036 1.734 . . . . 1.0 114.395 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -79.44 -43.85 22.5 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.559 1.543 . . . . 1.0 112.443 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -38.82 56.03 Favored 'General case' 0 N--CA 1.532 3.632 0 O-C-N 124.914 1.384 . . . . 1.0 113.334 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 16' ' ' ILE . 3.9 mtp180 -71.4 -38.23 71.48 Favored 'General case' 0 C--N 1.41 3.239 0 C-N-CA 125.623 1.569 . . . . 1.0 111.628 174.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.0 -32.55 73.03 Favored 'General case' 0 N--CA 1.517 2.92 0 O-C-N 125.342 1.651 . . . . 1.0 111.768 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -72.05 -35.57 69.37 Favored 'General case' 0 C--N 1.402 2.849 0 C-N-CA 127.307 2.243 . . . . 1.0 113.592 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.4 mt -59.55 -48.92 85.58 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.237 0 C-N-CA 126.255 1.822 . . . . 1.0 109.076 175.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -4.2 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.099 0 C-N-CA 126.797 2.039 . . . . 1.0 114.09 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -96.81 -42.26 8.05 Favored 'General case' 0 C--N 1.402 2.859 0 C-N-CA 125.603 1.561 . . . . 1.0 111.859 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.35 -35.62 23.1 Favored 'General case' 0 C--N 1.404 2.96 0 C-N-CA 125.223 1.409 . . . . 1.0 113.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 30' ' ' LEU . 23.6 mt -70.94 -11.13 60.79 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.89 1.811 . . . . 1.0 115.89 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.47 -22.94 23.4 Favored 'General case' 0 C--N 1.421 3.688 0 C-N-CA 127.82 2.448 . . . . 1.0 113.054 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.05 -28.43 15.11 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.618 1.567 . . . . 1.0 112.34 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.61 -169.39 17.84 Favored Glycine 0 C--N 1.385 3.304 0 O-C-N 124.91 1.382 . . . . 1.0 113.4 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.583 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.8 p-10 -122.57 127.82 49.94 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.079 1.351 . . . . 1.0 109.075 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 44.1 m-85 -136.71 140.98 43.05 Favored 'General case' 0 C--O 1.258 1.548 0 C-N-CA 125.909 1.684 . . . . 1.0 109.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -75.1 158.81 83.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 CA-C-O 115.502 -2.189 . . . . 1.0 111.594 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.01 -47.74 22.46 Favored 'Trans proline' 1 C--N 1.465 6.664 0 C-N-CA 123.242 2.628 . . . . 1.0 115.043 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 m -60.95 -33.88 73.87 Favored 'General case' 0 C--N 1.396 2.609 0 C-N-CA 125.612 1.565 . . . . 1.0 113.997 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -71.81 -34.61 69.5 Favored 'General case' 0 N--CA 1.527 3.388 0 C-N-CA 126.221 1.808 . . . . 1.0 111.55 176.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -69.2 -3.77 14.97 Favored 'General case' 0 N--CA 1.524 3.244 0 O-C-N 125.219 1.574 . . . . 1.0 114.681 171.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.02 -29.33 10.97 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 127.048 2.139 . . . . 1.0 112.469 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -42.84 80.86 Favored 'General case' 0 C--N 1.408 3.112 0 C-N-CA 125.007 1.323 . . . . 1.0 112.561 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.08 76.92 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.608 3.205 0 C-N-CA 126.478 1.911 . . . . 1.0 108.054 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 1 N--CA 1.551 4.578 0 C-N-CA 129.942 3.297 . . . . 1.0 110.662 -175.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.663 -1.161 . . . . 1.0 113.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -71.7 -54.17 11.15 Favored 'General case' 0 N--CA 1.516 2.858 0 C-N-CA 126.293 1.837 . . . . 1.0 114.65 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -72.34 -33.93 67.67 Favored 'General case' 0 N--CA 1.522 3.169 0 C-N-CA 125.519 1.528 . . . . 1.0 114.103 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.49 -46.28 83.63 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.015 0 O-C-N 125.217 1.573 . . . . 1.0 110.473 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.273 0.1 OUTLIER -70.13 -37.77 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.723 0 O-C-N 125.61 1.819 . . . . 1.0 112.277 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.93 -35.22 79.49 Favored 'General case' 0 C--N 1.397 2.653 0 C-N-CA 127.196 2.199 . . . . 1.0 114.639 177.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.25 -29.47 57.49 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.018 1.327 . . . . 1.0 110.788 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 52' ' ' ILE . 7.7 m-20 -65.43 -34.49 78.41 Favored 'General case' 0 C--N 1.408 3.132 0 C-N-CA 126.174 1.79 . . . . 1.0 111.454 171.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 46' ' ' LEU . 5.5 mt -66.22 -35.89 81.6 Favored 'General case' 0 C--N 1.408 3.12 0 C-N-CA 126.2 1.8 . . . . 1.0 113.24 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.86 -36.65 84.63 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 126.441 1.896 . . . . 1.0 112.062 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.582 HG11 HH21 ' A' ' 13' ' ' ARG . 1.4 t -76.41 -41.0 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.081 0 C-N-CA 126.615 1.966 . . . . 1.0 109.652 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 48' ' ' ASP . 2.8 mt -67.61 -44.67 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 125.825 1.65 . . . . 1.0 111.481 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.1 m -56.51 -30.93 63.6 Favored 'General case' 0 N--CA 1.537 3.913 0 N-CA-C 115.873 1.805 . . . . 1.0 115.873 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -77.54 -36.84 51.92 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 125.765 1.626 . . . . 1.0 113.985 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.24 -36.31 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 0 C-N-CA 125.332 1.453 . . . . 1.0 113.373 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.54 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.45 -32.05 72.01 Favored 'General case' 0 C--N 1.408 3.118 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -82.82 -27.82 30.61 Favored 'General case' 0 N--CA 1.526 3.367 0 O-C-N 124.832 1.333 . . . . 1.0 111.225 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -75.03 -29.69 60.86 Favored 'General case' 0 N--CA 1.522 3.143 0 O-C-N 125.941 2.025 . . . . 1.0 113.033 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 12.4 pt-20 -87.45 6.53 33.53 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 125.37 1.669 . . . . 1.0 111.938 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.34 31.15 76.33 Favored Glycine 0 C--N 1.387 3.412 0 CA-C-O 118.03 -1.428 . . . . 1.0 115.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.51 144.03 44.02 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.703 2.001 . . . . 1.0 110.122 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.28 126.98 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 124.457 1.098 . . . . 1.0 111.608 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.575 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -98.36 123.88 42.72 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 125.461 1.725 . . . . 1.0 109.754 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.74 122.26 45.71 Favored 'General case' 0 C--O 1.26 1.657 0 O-C-N 125.42 1.7 . . . . 1.0 109.615 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -111.47 126.49 68.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 O-C-N 125.961 2.038 . . . . 1.0 106.763 -179.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -82.02 130.68 59.36 Favored Pre-proline 0 CA--C 1.578 2.023 0 O-C-N 125.429 1.706 . . . . 1.0 109.966 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.81 125.86 16.92 Favored 'Trans proline' 1 C--N 1.453 6.027 0 C-N-CA 122.958 2.439 . . . . 1.0 115.742 -175.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 140.68 58.21 Favored 'General case' 0 N--CA 1.51 2.575 0 CA-C-N 113.387 -1.733 . . . . 1.0 109.593 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -139.1 152.6 47.63 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.574 0.953 . . . . 1.0 113.574 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.4 t -86.82 116.22 24.76 Favored 'General case' 0 C--N 1.385 2.11 0 O-C-N 125.417 1.698 . . . . 1.0 106.867 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -83.26 -11.65 57.56 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 127.227 2.211 . . . . 1.0 115.092 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -90.83 -45.19 8.95 Favored 'General case' 0 C--N 1.381 1.945 0 C-N-CA 125.515 1.526 . . . . 1.0 113.499 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.75 -20.16 17.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 125.476 1.735 . . . . 1.0 114.48 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.25 -18.86 56.57 Favored Glycine 0 C--N 1.388 3.454 0 O-C-N 124.27 0.981 . . . . 1.0 113.471 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.3 131.91 33.49 Favored 'General case' 0 C--N 1.409 3.194 0 O-C-N 125.562 1.39 . . . . 1.0 112.016 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.98 124.94 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 126.021 2.076 . . . . 1.0 110.006 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -99.24 146.93 25.68 Favored 'General case' 0 C--N 1.37 1.468 0 O-C-N 126.032 2.082 . . . . 1.0 111.256 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -64.92 140.74 58.9 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.287 1.035 . . . . 1.0 112.595 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.83 119.91 5.15 Favored 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 125.61 1.564 . . . . 1.0 112.034 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -127.07 163.71 23.16 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 125.024 1.453 . . . . 1.0 112.143 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.603 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -99.96 -87.18 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.578 0 CA-C-N 112.131 -2.304 . . . . 1.0 106.63 178.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.603 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.5 t30 -59.23 139.51 56.88 Favored 'General case' 0 N--CA 1.522 3.158 0 O-C-N 124.3 1.0 . . . . 1.0 110.398 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -95.97 132.21 27.48 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-O 116.621 -1.656 . . . . 1.0 114.885 -172.061 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.51 144.02 31.62 Favored 'Trans proline' 1 C--N 1.455 6.15 0 C-N-CA 122.917 2.411 . . . . 1.0 112.18 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 m -80.36 -20.62 43.71 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 124.162 0.914 . . . . 1.0 113.107 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -145.51 148.64 33.44 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 127.346 2.259 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.607 3.15 0 CA-C-O 116.843 -1.551 . . . . 1.0 112.912 177.188 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 CA--C 1.574 1.892 0 CA-C-O 120.972 0.415 . . . . 1.0 111.936 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -98.09 86.35 3.68 Favored 'General case' 0 C--N 1.393 2.468 0 C-N-CA 125.992 1.717 . . . . 1.0 109.843 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.82 134.27 64.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 111.479 -2.601 . . . . 1.0 106.609 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.59 132.1 33.99 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 125.449 1.718 . . . . 1.0 108.629 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.13 132.28 82.55 Favored Pre-proline 0 C--N 1.382 2.011 0 CA-C-O 117.304 -1.331 . . . . 1.0 113.931 -176.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.81 155.73 47.44 Favored 'Trans proline' 1 C--N 1.46 6.418 0 C-N-CA 123.223 2.615 . . . . 1.0 114.375 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 87.8 mtt180 -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 124.584 1.178 . . . . 1.0 109.138 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -108.69 125.11 51.53 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 125.287 1.617 . . . . 1.0 110.175 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.583 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 19.9 mttt -138.27 149.3 45.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 125.183 1.552 . . . . 1.0 111.252 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.575 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -116.74 126.33 52.97 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 124.869 1.355 . . . . 1.0 109.355 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.36 131.13 55.64 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.127 1.517 . . . . 1.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -98.15 116.25 29.99 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 126.026 2.079 . . . . 1.0 111.953 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.1 mttt . . . . . 3 N--CA 1.588 6.446 0 C-N-CA 128.414 2.686 . . . . 1.0 112.4 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.487 1.407 0 N-CA-C 114.642 1.349 . . . . 1.0 114.642 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.61 -33.02 47.74 Favored 'General case' 0 C--N 1.376 1.75 0 O-C-N 124.884 1.365 . . . . 1.0 114.27 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -84.26 -26.32 28.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.86 -43.68 95.37 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 126.682 2.489 . . . . 1.0 114.417 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HA ' HD12 ' A' ' 16' ' ' ILE . 72.7 mtt180 -69.45 -38.75 77.92 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-N 113.931 -1.486 . . . . 1.0 114.063 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.09 -36.57 83.54 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 127.105 2.753 . . . . 1.0 112.113 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -67.6 -31.38 71.39 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 124.56 1.162 . . . . 1.0 113.428 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 13' ' ' ARG . 7.0 mt -65.23 -48.43 83.56 Favored 'Isoleucine or valine' 0 C--N 1.378 1.816 0 O-C-N 124.493 1.12 . . . . 1.0 111.574 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -76.54 -0.93 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.039 0 O-C-N 125.269 1.606 . . . . 1.0 114.08 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -98.25 -45.8 6.06 Favored 'General case' 0 C--N 1.39 2.326 0 CA-C-N 113.872 -1.513 . . . . 1.0 114.065 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -28.13 22.95 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 125.022 1.451 . . . . 1.0 113.627 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.1 -11.01 60.39 Favored 'General case' 0 C--N 1.399 2.729 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 -178.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -13.59 41.89 Favored 'General case' 0 C--N 1.424 3.836 0 C-N-CA 124.641 1.176 . . . . 1.0 112.029 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -101.1 -26.35 13.72 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 124.315 1.009 . . . . 1.0 113.366 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.86 -165.45 19.97 Favored Glycine 0 CA--C 1.482 -1.995 0 O-C-N 125.038 1.461 . . . . 1.0 112.244 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.87 134.64 55.03 Favored 'General case' 0 C--O 1.267 2.012 0 CA-C-O 121.449 0.642 . . . . 1.0 109.481 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 24.4 m-85 -142.3 144.27 33.17 Favored 'General case' 0 CA--C 1.469 -2.147 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.47 155.31 85.69 Favored Pre-proline 0 C--O 1.262 1.728 0 O-C-N 124.42 1.075 . . . . 1.0 110.246 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.6 ' HB3' ' HB ' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -53.48 -39.36 82.46 Favored 'Trans proline' 1 C--N 1.428 4.743 0 C-N-CA 122.934 2.423 . . . . 1.0 115.328 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.1 m -68.42 -28.47 67.1 Favored 'General case' 0 C--N 1.392 2.442 0 O-C-N 124.188 0.93 . . . . 1.0 113.147 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 19.7 mt-10 -74.89 -36.49 62.25 Favored 'General case' 0 C--N 1.396 2.614 0 O-C-N 125.229 1.581 . . . . 1.0 113.158 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -66.36 -64.01 0.95 Allowed 'General case' 0 C--N 1.368 1.404 0 O-C-N 127.721 3.138 . . . . 1.0 108.804 178.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -50.54 -20.29 1.13 Allowed 'General case' 0 C--N 1.389 2.317 0 C-N-CA 125.174 1.389 . . . . 1.0 114.03 174.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -73.04 -44.61 60.56 Favored 'General case' 0 C--N 1.427 3.954 0 C-N-CA 124.939 1.296 . . . . 1.0 111.785 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.1 tt -83.33 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.238 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.291 -1.937 0 CA-C-O 121.138 0.494 . . . . 1.0 110.874 -174.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 45' ' ' ILE . 12.2 p . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 95.9 mttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.752 1.221 . . . . 1.0 114.139 -177.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -71.22 -30.26 66.14 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 126.313 2.258 . . . . 1.0 112.804 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.53 -45.99 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 113.704 -1.589 . . . . 1.0 110.866 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.6 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 17.2 mm -74.05 -32.56 33.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 O-C-N 126.06 2.1 . . . . 1.0 112.366 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -65.95 -39.77 90.75 Favored 'General case' 0 CA--C 1.563 1.479 0 O-C-N 125.781 1.926 . . . . 1.0 112.49 178.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 14.7 mt-10 -76.95 -27.43 54.8 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 126.513 2.383 . . . . 1.0 111.732 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -64.56 -31.34 72.52 Favored 'General case' 0 C--N 1.401 2.808 0 O-C-N 124.908 1.38 . . . . 1.0 111.672 174.314 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -33.29 75.4 Favored 'General case' 0 C--N 1.385 2.145 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 95.6 mttt -63.06 -39.44 94.73 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 126.655 2.472 . . . . 1.0 113.423 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -79.6 -38.56 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.627 1.571 . . . . 1.0 112.972 178.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.7 -38.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 O-C-N 125.116 1.51 . . . . 1.0 112.763 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -60.69 -29.81 69.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.865 2.603 . . . . 1.0 114.157 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -73.61 -34.34 65.0 Favored 'General case' 0 C--N 1.39 2.358 0 O-C-N 124.572 1.17 . . . . 1.0 113.502 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt -85.31 -41.03 15.31 Favored 'Isoleucine or valine' 0 C--N 1.362 1.121 0 O-C-N 125.076 1.485 . . . . 1.0 111.242 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.91 63.59 Favored 'General case' 0 C--N 1.391 2.408 0 O-C-N 125.859 1.975 . . . . 1.0 114.455 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.27 -33.88 19.11 Favored 'General case' 0 C--N 1.399 2.729 0 O-C-N 126.31 2.256 . . . . 1.0 113.474 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.15 -19.08 60.68 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 128.207 3.442 . . . . 1.0 110.164 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.96 4.88 46.6 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 113.764 -1.562 . . . . 1.0 112.805 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.28 29.2 74.35 Favored Glycine 0 C--N 1.392 3.645 0 CA-C-N 115.014 -0.994 . . . . 1.0 114.758 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.9 mtm -113.51 149.94 33.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.595 0.758 . . . . 1.0 109.54 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.39 125.52 72.66 Favored 'Isoleucine or valine' 0 C--O 1.258 1.547 0 CA-C-N 114.846 -1.07 . . . . 1.0 111.18 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.1 126.62 46.36 Favored 'General case' 0 C--O 1.264 1.856 0 O-C-N 125.404 1.69 . . . . 1.0 110.009 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 128.96 54.87 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 124.735 1.272 . . . . 1.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.93 130.65 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 124.741 1.275 . . . . 1.0 107.891 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.99 134.99 55.56 Favored Pre-proline 0 C--N 1.378 1.811 0 O-C-N 125.513 1.758 . . . . 1.0 110.857 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.47 125.09 12.85 Favored 'Trans proline' 0 C--N 1.41 3.78 0 N-CA-C 117.338 2.015 . . . . 1.0 117.338 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 139.11 58.28 Favored 'General case' 0 C--O 1.272 2.267 0 CA-C-N 110.972 -2.831 . . . . 1.0 109.35 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.645 ' HG3' HG13 ' A' ' 76' ' ' VAL . 2.1 tt0 -136.48 150.08 48.51 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.784 -173.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.7 m -86.93 119.13 26.81 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.799 -1.926 . . . . 1.0 105.799 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -90.45 -1.85 57.92 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -97.61 -46.82 5.87 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.704 1.002 . . . . 1.0 113.704 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.01 -21.39 18.03 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 125.223 1.577 . . . . 1.0 113.47 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.46 -18.71 57.0 Favored Glycine 0 C--N 1.382 3.105 0 O-C-N 124.651 1.219 . . . . 1.0 113.627 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -53.17 134.25 38.98 Favored 'General case' 0 C--N 1.401 2.828 0 O-C-N 125.558 1.387 . . . . 1.0 112.495 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 69' ' ' GLN . 15.5 t -104.47 128.5 57.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 125.952 2.032 . . . . 1.0 109.496 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -99.48 148.75 23.92 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.453 1.721 . . . . 1.0 111.492 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -64.12 149.31 47.94 Favored 'General case' 0 C--O 1.277 2.517 0 O-C-N 125.073 1.483 . . . . 1.0 110.071 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 127.73 32.97 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 124.554 1.159 . . . . 1.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.56 167.77 21.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 114.285 -1.325 . . . . 1.0 111.091 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.446 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -103.59 -80.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.732 0 O-C-N 125.614 1.821 . . . . 1.0 109.55 179.421 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.4 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.4 m120 -61.31 144.1 54.52 Favored 'General case' 0 C--O 1.277 2.506 0 O-C-N 125.456 1.723 . . . . 1.0 107.141 174.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mt -104.47 135.4 19.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 124.674 1.234 . . . . 1.0 110.138 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -74.37 152.16 43.78 Favored 'Trans proline' 1 C--N 1.417 4.137 0 C-N-CA 122.131 1.887 . . . . 1.0 114.339 172.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.9 m -88.2 -24.73 23.2 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 125.361 1.663 . . . . 1.0 112.209 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -143.61 143.41 31.47 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 124.122 0.889 . . . . 1.0 110.322 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.4 t . . . . . 0 C--N 1.388 2.262 0 CA-C-O 118.066 -0.969 . . . . 1.0 111.185 175.282 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 CA--C 1.593 2.631 0 CA-C-O 119.386 -0.34 . . . . 1.0 111.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.98 91.94 3.95 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 126.244 2.215 . . . . 1.0 110.344 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.79 150.48 29.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 CA-C-N 114.672 -1.149 . . . . 1.0 110.103 -177.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.08 132.4 34.8 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 125.049 1.468 . . . . 1.0 110.484 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.72 141.13 51.41 Favored Pre-proline 0 C--N 1.37 1.467 0 O-C-N 125.07 1.481 . . . . 1.0 111.324 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.22 157.61 48.85 Favored 'Trans proline' 1 C--N 1.417 4.159 0 C-N-CA 122.203 1.935 . . . . 1.0 115.477 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -107.93 136.79 47.05 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 125.778 1.924 . . . . 1.0 110.171 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -116.22 125.71 52.62 Favored 'General case' 0 CA--C 1.485 -1.556 0 O-C-N 125.096 1.498 . . . . 1.0 110.724 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -141.32 157.28 45.41 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 124.323 1.014 . . . . 1.0 110.533 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.45 129.89 55.64 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 124.068 0.855 . . . . 1.0 110.006 178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.79 134.5 55.1 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.726 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -75.63 142.85 42.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 114.633 -1.167 . . . . 1.0 109.977 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 2 N--CA 1.564 5.243 0 C-N-CA 126.501 1.92 . . . . 1.0 110.491 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.486 1.327 0 N-CA-C 114.455 1.28 . . . . 1.0 114.455 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.77 -33.69 71.04 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 p -84.25 -38.18 20.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 124.85 1.344 . . . . 1.0 113.591 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.58 -40.94 98.24 Favored 'General case' 0 C--N 1.396 2.599 0 O-C-N 126.258 2.224 . . . . 1.0 113.493 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 16' ' ' ILE . 83.5 mtt180 -70.86 -39.19 73.04 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.778 -1.555 . . . . 1.0 113.236 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.5 mt-10 -65.94 -34.33 77.87 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 126.787 2.554 . . . . 1.0 112.244 175.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.274 0.984 . . . . 1.0 113.329 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 13' ' ' ARG . 7.7 mt -65.49 -45.53 92.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 0 O-C-N 124.502 1.126 . . . . 1.0 111.716 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -78.4 3.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 O-C-N 125.026 1.454 . . . . 1.0 113.792 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.47 -44.05 6.32 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.25 -1.341 . . . . 1.0 113.379 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.64 -31.59 21.02 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 124.839 1.337 . . . . 1.0 112.77 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.69 -11.43 60.84 Favored 'General case' 0 C--N 1.401 2.83 0 O-C-N 124.629 1.206 . . . . 1.0 113.816 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -15.16 31.54 Favored 'General case' 0 C--N 1.417 3.529 0 C-N-CA 124.481 1.112 . . . . 1.0 111.908 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.55 -26.83 13.09 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 124.452 1.095 . . . . 1.0 113.002 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -155.56 -166.61 15.9 Favored Glycine 0 CA--C 1.484 -1.882 0 O-C-N 125.069 1.481 . . . . 1.0 111.772 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.591 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -125.85 132.55 52.18 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 122.916 0.486 . . . . 1.0 109.872 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.28 145.79 41.7 Favored 'General case' 0 CA--C 1.471 -2.06 0 O-C-N 124.186 0.929 . . . . 1.0 110.009 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -78.5 158.2 76.52 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 124.562 1.164 . . . . 1.0 109.983 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -50.11 -46.57 27.7 Favored 'Trans proline' 1 C--N 1.424 4.506 0 C-N-CA 123.462 2.775 . . . . 1.0 115.906 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 m -62.11 -32.7 73.3 Favored 'General case' 0 C--N 1.396 2.607 0 O-C-N 125.235 1.584 . . . . 1.0 113.001 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -35.92 66.39 Favored 'General case' 0 C--N 1.404 2.952 0 O-C-N 125.209 1.568 . . . . 1.0 113.188 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD21 HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -72.15 0.76 8.85 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 125.419 1.699 . . . . 1.0 111.958 173.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.38 -26.14 12.56 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-N 113.681 -1.599 . . . . 1.0 110.621 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -65.09 -42.4 94.11 Favored 'General case' 0 C--N 1.391 2.411 0 O-C-N 124.309 1.006 . . . . 1.0 111.646 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -84.73 86.21 2.25 Favored 'Isoleucine or valine' 0 C--O 1.285 2.929 0 C-N-CA 124.406 1.082 . . . . 1.0 109.373 174.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.291 -1.947 0 CA-C-O 121.271 0.558 . . . . 1.0 111.007 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.488 1.461 0 N-CA-C 112.779 0.659 . . . . 1.0 112.779 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.24 -49.94 51.65 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 113.982 1.104 . . . . 1.0 113.982 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -74.29 -31.63 62.58 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 125.54 1.775 . . . . 1.0 113.12 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.53 -44.92 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 125.274 1.609 . . . . 1.0 111.586 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -24.72 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.196 0 O-C-N 126.481 2.363 . . . . 1.0 112.892 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -73.2 -35.56 66.37 Favored 'General case' 0 N--CA 1.425 -1.684 0 O-C-N 127.029 2.706 . . . . 1.0 114.684 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -78.13 -27.66 48.31 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 127.139 2.774 . . . . 1.0 111.443 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -65.75 -30.61 71.3 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 124.758 1.286 . . . . 1.0 112.309 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 46' ' ' LEU . 2.9 mt -67.04 -33.8 76.31 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.658 -1.155 . . . . 1.0 112.694 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.11 -36.39 83.42 Favored 'General case' 0 C--N 1.377 1.766 0 O-C-N 125.589 1.805 . . . . 1.0 113.126 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -42.74 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.884 1.274 . . . . 1.0 112.132 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.711 ' HA ' HD12 ' A' ' 55' ' ' ILE . 2.1 mt -68.72 -37.4 77.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 O-C-N 125.935 2.022 . . . . 1.0 112.456 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.9 -28.48 67.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 126.52 2.388 . . . . 1.0 113.856 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -74.25 -34.31 63.58 Favored 'General case' 0 C--N 1.388 2.255 0 O-C-N 124.319 1.012 . . . . 1.0 113.544 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.93 -39.86 13.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 125.131 1.52 . . . . 1.0 111.816 -178.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.49 66.36 Favored 'General case' 0 C--N 1.391 2.38 0 O-C-N 125.375 1.672 . . . . 1.0 114.468 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.41 -32.16 16.55 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 126.683 2.489 . . . . 1.0 112.594 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -74.67 -18.72 60.49 Favored 'General case' 0 N--CA 1.517 2.909 0 O-C-N 127.902 3.251 . . . . 1.0 110.125 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.27 5.24 42.73 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 113.79 -1.55 . . . . 1.0 112.67 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.74 73.3 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 114.926 -1.034 . . . . 1.0 114.588 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -116.09 148.71 39.97 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 123.348 0.659 . . . . 1.0 109.377 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.94 129.38 68.69 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-N 114.92 -1.036 . . . . 1.0 111.038 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.67 127.45 45.78 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 125.248 1.593 . . . . 1.0 110.169 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.5 129.95 56.44 Favored 'General case' 0 C--O 1.261 1.684 0 O-C-N 124.523 1.139 . . . . 1.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.79 135.25 52.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.114 0 CA-C-N 114.95 -1.023 . . . . 1.0 108.251 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 135.14 53.71 Favored Pre-proline 0 C--N 1.379 1.867 0 O-C-N 125.25 1.594 . . . . 1.0 110.799 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -68.24 119.81 6.8 Favored 'Trans proline' 0 C--N 1.411 3.867 0 N-CA-C 117.27 1.988 . . . . 1.0 117.27 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . . . -70.4 142.16 52.09 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.102 -2.772 . . . . 1.0 109.552 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.71 158.65 43.67 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.568 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.03 122.02 28.65 Favored 'General case' 0 C--O 1.271 2.213 0 O-C-N 125.919 2.012 . . . . 1.0 107.36 172.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -86.08 -5.23 59.25 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 114.273 1.212 . . . . 1.0 114.273 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -93.71 -46.35 7.28 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 114.158 1.17 . . . . 1.0 114.158 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.4 p -98.35 -18.11 18.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.194 1.559 . . . . 1.0 113.613 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.44 -16.35 60.86 Favored Glycine 0 C--N 1.381 3.037 0 O-C-N 124.156 0.91 . . . . 1.0 113.739 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.99 134.72 37.81 Favored 'General case' 0 C--N 1.399 2.739 0 O-C-N 125.38 1.282 . . . . 1.0 111.779 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.04 127.42 66.95 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 O-C-N 125.18 1.55 . . . . 1.0 110.821 -175.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -101.22 149.76 23.67 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 125.235 1.585 . . . . 1.0 111.735 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.34 154.98 36.75 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 125.165 1.541 . . . . 1.0 110.063 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.21 129.02 38.5 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.927 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.93 163.56 28.89 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.289 -1.323 . . . . 1.0 111.026 -172.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -104.27 -81.1 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.612 0 O-C-N 124.719 1.262 . . . . 1.0 108.707 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.473 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.4 m120 -62.2 138.94 58.49 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.186 -1.783 . . . . 1.0 106.186 172.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.05 147.21 33.04 Favored Pre-proline 0 CA--C 1.569 1.676 0 O-C-N 124.615 1.197 . . . . 1.0 113.172 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -80.31 158.16 22.89 Favored 'Trans proline' 0 C--N 1.397 3.107 0 C-N-CA 121.737 1.625 . . . . 1.0 114.96 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -98.54 -26.55 14.38 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 125.468 1.73 . . . . 1.0 111.613 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -143.7 144.45 31.86 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 124.186 0.929 . . . . 1.0 110.149 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--N 1.38 1.933 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.534 176.323 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 . . . . . 0 CA--C 1.582 2.208 0 N-CA-C 112.376 0.51 . . . . 1.0 112.376 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.55 92.72 4.31 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 125.798 1.936 . . . . 1.0 111.218 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 149.05 29.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.44 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.624 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 132.79 33.9 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 124.226 0.954 . . . . 1.0 110.495 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 140.07 49.89 Favored Pre-proline 0 C--O 1.255 1.385 0 O-C-N 124.717 1.261 . . . . 1.0 111.279 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 51.9 Cg_endo -64.64 158.12 51.88 Favored 'Trans proline' 1 C--N 1.416 4.097 0 C-N-CA 121.805 1.67 . . . . 1.0 115.528 178.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -109.52 141.46 41.96 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 113.476 -1.693 . . . . 1.0 109.943 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.51 129.89 56.19 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.444 1.715 . . . . 1.0 111.313 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -139.67 152.86 47.07 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.482 1.114 . . . . 1.0 110.668 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.12 125.14 53.62 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 124.374 1.046 . . . . 1.0 109.186 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.85 140.16 52.74 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.979 -1.009 . . . . 1.0 110.251 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -84.76 152.37 23.73 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.759 1.287 . . . . 1.0 110.105 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 tttt . . . . . 2 N--CA 1.56 5.056 0 C-N-CA 126.54 1.936 . . . . 1.0 110.864 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.492 1.635 0 N-CA-C 113.698 0.999 . . . . 1.0 113.698 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.53 54.15 Favored 'General case' 0 C--N 1.381 1.971 0 O-C-N 124.554 1.159 . . . . 1.0 113.807 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -80.84 -35.43 32.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.393 1.058 . . . . 1.0 113.251 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -60.92 -38.65 86.51 Favored 'General case' 0 C--N 1.402 2.859 0 O-C-N 126.871 2.607 . . . . 1.0 112.728 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.578 ' HA ' HD12 ' A' ' 16' ' ' ILE . 20.2 mtp180 -70.2 -36.12 74.39 Favored 'General case' 0 C--N 1.391 2.387 0 O-C-N 125.289 1.618 . . . . 1.0 113.254 173.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 17' ' ' ILE . 17.3 mt-10 -65.44 -34.82 79.18 Favored 'General case' 0 C--N 1.383 2.05 0 O-C-N 126.642 2.464 . . . . 1.0 112.345 176.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -65.33 -33.77 76.76 Favored 'General case' 0 C--N 1.39 2.359 0 O-C-N 124.622 1.201 . . . . 1.0 113.086 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.1 mt -67.43 -47.27 81.36 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 124.59 1.181 . . . . 1.0 110.772 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -11.46 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.08 0 O-C-N 125.074 1.484 . . . . 1.0 113.796 177.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.01 -41.89 8.16 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.206 -1.815 . . . . 1.0 114.038 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -24.65 22.57 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 125.555 1.785 . . . . 1.0 114.151 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -79.64 -9.93 59.71 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 114.648 1.351 . . . . 1.0 114.648 -177.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -11.31 50.83 Favored 'General case' 0 C--N 1.415 3.421 0 C-N-CA 124.35 1.06 . . . . 1.0 112.598 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.02 -25.26 13.51 Favored 'General case' 0 C--N 1.375 1.709 0 O-C-N 124.553 1.158 . . . . 1.0 113.343 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.8 -170.17 27.26 Favored Glycine 0 CA--C 1.481 -2.063 0 O-C-N 125.05 1.469 . . . . 1.0 111.96 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -118.17 131.7 56.38 Favored 'General case' 0 C--O 1.268 2.057 0 C-N-CA 123.018 0.527 . . . . 1.0 110.009 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 40.2 m-85 -138.74 144.83 39.64 Favored 'General case' 0 CA--C 1.465 -2.324 0 O-C-N 124.434 1.084 . . . . 1.0 109.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 159.28 71.99 Favored Pre-proline 0 N--CA 1.434 -1.249 0 CA-C-O 117.499 -1.238 . . . . 1.0 110.256 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.514 ' HB3' HG21 ' A' ' 45' ' ' ILE . 12.2 Cg_endo -49.84 -46.19 28.76 Favored 'Trans proline' 1 C--N 1.425 4.58 0 C-N-CA 123.422 2.748 . . . . 1.0 115.646 177.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -61.0 -32.39 71.97 Favored 'General case' 0 C--N 1.406 3.023 0 O-C-N 125.265 1.603 . . . . 1.0 113.042 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 1.8 mt-10 -73.61 -36.25 65.45 Favored 'General case' 0 C--N 1.406 3.037 0 O-C-N 125.685 1.865 . . . . 1.0 112.718 175.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -2.87 16.76 Favored 'General case' 0 C--N 1.406 3.043 0 O-C-N 125.661 1.851 . . . . 1.0 111.764 172.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.29 -30.18 11.65 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-N 113.431 -1.713 . . . . 1.0 110.363 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -65.1 -46.52 80.74 Favored 'General case' 0 C--N 1.398 2.69 0 C-N-CA 124.31 1.044 . . . . 1.0 111.568 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -83.01 80.26 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.239 0 C-N-CA 124.669 1.188 . . . . 1.0 108.1 175.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 CA-C-N 118.415 0.552 . . . . 1.0 109.609 -176.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.258 1.514 0 N-CA-C 112.6 0.592 . . . . 1.0 112.6 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 74.5 mttt -70.02 -48.93 56.06 Favored 'General case' 0 C--N 1.377 1.772 0 N-CA-C 114.319 1.229 . . . . 1.0 114.319 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.93 -33.13 61.93 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 125.256 1.597 . . . . 1.0 113.463 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.55 -43.79 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 125.298 1.624 . . . . 1.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -73.55 -24.82 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.137 0 O-C-N 126.539 2.399 . . . . 1.0 112.639 176.694 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -71.22 -38.76 72.0 Favored 'General case' 0 C--N 1.362 1.127 0 O-C-N 126.054 2.096 . . . . 1.0 112.234 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.52 -27.12 58.59 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 126.97 2.669 . . . . 1.0 111.829 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.8 m-20 -66.07 -32.43 73.89 Favored 'General case' 0 C--N 1.393 2.483 0 O-C-N 124.98 1.425 . . . . 1.0 112.078 173.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -67.45 -34.13 76.57 Favored 'General case' 0 C--N 1.391 2.406 0 CA-C-N 114.652 -1.158 . . . . 1.0 112.743 174.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -63.92 -37.95 89.28 Favored 'General case' 0 C--N 1.376 1.729 0 O-C-N 125.334 1.646 . . . . 1.0 113.073 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.41 -44.73 26.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.148 0 CA-C-N 114.499 -1.228 . . . . 1.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.729 ' HA ' HD12 ' A' ' 55' ' ' ILE . 1.7 mt -64.72 -39.91 87.27 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 O-C-N 126.533 2.396 . . . . 1.0 112.44 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -58.85 -29.55 67.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 127.068 2.73 . . . . 1.0 113.421 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -72.58 -33.8 66.99 Favored 'General case' 0 C--N 1.398 2.694 0 O-C-N 124.809 1.318 . . . . 1.0 113.351 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.6 OUTLIER -86.14 -39.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 125.129 1.518 . . . . 1.0 111.344 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.43 65.23 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 125.45 1.718 . . . . 1.0 114.212 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -87.67 -35.16 18.15 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 125.99 2.056 . . . . 1.0 113.023 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -71.27 -20.3 62.24 Favored 'General case' 0 N--CA 1.516 2.836 0 O-C-N 127.693 3.12 . . . . 1.0 110.428 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.05 5.92 44.59 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 113.718 -1.583 . . . . 1.0 113.075 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 31.32 79.39 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 114.966 -1.015 . . . . 1.0 115.025 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.8 147.91 39.16 Favored 'General case' 0 C--N 1.377 1.799 0 C-N-CA 123.404 0.681 . . . . 1.0 109.313 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.49 124.68 70.37 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-N 114.738 -1.119 . . . . 1.0 111.353 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 124.74 48.09 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 125.358 1.661 . . . . 1.0 110.05 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.62 130.92 54.29 Favored 'General case' 0 C--O 1.262 1.711 0 O-C-N 124.98 1.425 . . . . 1.0 111.246 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.93 132.39 63.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 O-C-N 124.751 1.282 . . . . 1.0 108.127 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -80.18 134.33 55.92 Favored Pre-proline 0 C--N 1.38 1.906 0 O-C-N 125.732 1.895 . . . . 1.0 110.8 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.94 124.54 11.96 Favored 'Trans proline' 0 C--N 1.412 3.892 0 N-CA-C 117.308 2.003 . . . . 1.0 117.308 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.2 140.68 54.6 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.087 -2.778 . . . . 1.0 109.972 176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -139.25 159.64 41.69 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.357 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.6 t -88.71 123.57 33.27 Favored 'General case' 0 C--O 1.273 2.339 0 O-C-N 125.988 2.055 . . . . 1.0 107.116 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -89.67 -6.2 56.37 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.25 -46.57 7.33 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.3 -20.1 18.77 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 125.598 1.811 . . . . 1.0 113.28 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.67 58.74 Favored Glycine 0 C--N 1.387 3.373 0 O-C-N 124.543 1.152 . . . . 1.0 113.622 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.81 134.59 48.01 Favored 'General case' 0 C--N 1.404 2.94 0 O-C-N 125.424 1.308 . . . . 1.0 111.815 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.84 127.94 62.0 Favored 'Isoleucine or valine' 0 C--O 1.265 1.889 0 O-C-N 125.726 1.891 . . . . 1.0 111.376 -175.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -99.54 151.6 20.97 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.405 1.69 . . . . 1.0 111.494 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -64.18 149.17 48.38 Favored 'General case' 0 C--O 1.275 2.44 0 O-C-N 124.956 1.41 . . . . 1.0 109.946 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.73 127.28 30.69 Favored 'General case' 0 C--N 1.377 1.769 0 O-C-N 124.711 1.257 . . . . 1.0 110.636 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -137.42 169.15 18.28 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 114.403 -1.272 . . . . 1.0 110.675 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.479 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -102.59 -81.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 CA-C-N 112.924 -1.943 . . . . 1.0 109.395 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.428 ' H ' HD12 ' A' ' 81' ' ' ILE . 19.4 m-80 -61.59 147.04 46.95 Favored 'General case' 0 C--O 1.28 2.666 0 O-C-N 125.378 1.674 . . . . 1.0 107.361 174.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.33 135.71 19.3 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 124.677 1.236 . . . . 1.0 110.335 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -74.69 152.34 42.29 Favored 'Trans proline' 1 C--N 1.417 4.165 0 C-N-CA 122.061 1.841 . . . . 1.0 114.267 172.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m -85.56 -25.09 26.95 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 125.367 1.667 . . . . 1.0 112.022 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -143.36 143.81 31.81 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 124.313 1.008 . . . . 1.0 110.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.7 m . . . . . 0 C--N 1.384 2.084 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.261 175.768 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.779 -0.629 . . . . 1.0 110.59 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -102.74 94.66 5.73 Favored 'General case' 0 C--O 1.252 1.193 0 O-C-N 125.772 1.92 . . . . 1.0 112.664 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.32 147.27 30.03 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-N 114.241 -1.345 . . . . 1.0 109.458 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.11 131.73 35.81 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 124.935 1.397 . . . . 1.0 110.648 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.29 143.22 44.65 Favored Pre-proline 0 C--N 1.369 1.425 0 O-C-N 124.901 1.375 . . . . 1.0 110.655 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -65.95 157.78 57.5 Favored 'Trans proline' 1 C--N 1.415 4.031 0 C-N-CA 122.594 2.196 . . . . 1.0 115.754 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -109.35 137.86 46.58 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-N 113.657 -1.61 . . . . 1.0 109.858 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.42 126.29 54.8 Favored 'General case' 0 C--O 1.257 1.476 0 O-C-N 125.014 1.446 . . . . 1.0 110.795 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -141.28 154.69 45.87 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.609 1.193 . . . . 1.0 110.878 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.99 128.86 55.2 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 124.353 1.033 . . . . 1.0 109.72 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -119.57 136.87 54.17 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 114.936 -1.029 . . . . 1.0 109.684 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.64 147.11 35.74 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.486 1.116 . . . . 1.0 110.054 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 2 N--CA 1.559 4.999 0 C-N-CA 126.508 1.923 . . . . 1.0 111.195 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 113.578 0.955 . . . . 1.0 113.578 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 124.364 1.04 . . . . 1.0 113.749 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -81.19 -37.82 28.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 124.199 0.937 . . . . 1.0 113.176 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.74 -38.3 89.98 Favored 'General case' 0 C--N 1.392 2.454 0 O-C-N 126.937 2.648 . . . . 1.0 112.474 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.5 mtp180 -70.48 -36.76 74.04 Favored 'General case' 0 C--N 1.386 2.176 0 O-C-N 124.847 1.342 . . . . 1.0 112.588 174.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HA ' HD11 ' A' ' 17' ' ' ILE . 15.2 mt-10 -65.39 -34.5 78.45 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 126.285 2.241 . . . . 1.0 112.176 176.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -67.36 -30.83 70.73 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.437 1.085 . . . . 1.0 112.979 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.9 mt -66.53 -48.29 80.96 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 O-C-N 124.312 1.007 . . . . 1.0 111.432 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -77.04 -1.01 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.829 0 O-C-N 124.822 1.326 . . . . 1.0 113.736 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -102.47 -42.98 5.78 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-N 114.223 -1.353 . . . . 1.0 113.398 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -25.93 21.77 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 124.917 1.386 . . . . 1.0 113.443 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -78.51 -9.56 59.38 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -177.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -11.64 48.24 Favored 'General case' 0 C--N 1.41 3.225 0 C-N-CA 124.368 1.067 . . . . 1.0 112.161 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -104.08 -26.14 12.7 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 124.415 1.072 . . . . 1.0 113.104 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.24 -165.06 17.29 Favored Glycine 0 CA--C 1.487 -1.714 0 O-C-N 124.763 1.289 . . . . 1.0 112.074 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.73 133.73 55.32 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 115.372 -0.414 . . . . 1.0 110.234 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.44 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 33.5 m-85 -140.96 143.02 34.29 Favored 'General case' 0 CA--C 1.472 -2.049 0 O-C-N 124.145 0.903 . . . . 1.0 109.576 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 159.85 76.45 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 117.827 -1.082 . . . . 1.0 110.597 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.624 ' HB3' HG21 ' A' ' 45' ' ' ILE . 13.9 Cg_endo -50.95 -45.5 35.96 Favored 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 123.149 2.566 . . . . 1.0 115.71 177.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.1 m -61.54 -31.37 71.39 Favored 'General case' 0 C--N 1.395 2.575 0 O-C-N 125.063 1.477 . . . . 1.0 112.737 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.44 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -74.53 -36.81 63.16 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 125.258 1.599 . . . . 1.0 112.648 176.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -1.78 13.0 Favored 'General case' 0 C--N 1.402 2.849 0 O-C-N 125.04 1.462 . . . . 1.0 111.699 172.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.36 -29.01 11.49 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 113.811 -1.541 . . . . 1.0 110.438 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -64.74 -45.1 87.88 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 124.419 1.074 . . . . 1.0 111.198 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -83.52 84.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.279 2.613 0 C-N-CA 124.543 1.137 . . . . 1.0 108.926 174.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.444 -3.129 0 N-CA-C 112.798 0.666 . . . . 1.0 112.798 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p . . . . . 0 N--CA 1.486 1.367 0 N-CA-C 112.737 0.643 . . . . 1.0 112.737 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 45' ' ' ILE . 64.1 mttt -71.04 -54.05 12.54 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 114.187 1.18 . . . . 1.0 114.187 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 46' ' ' LEU . 49.2 mttt -75.09 -32.29 61.42 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 125.038 1.462 . . . . 1.0 113.809 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -38.27 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 125.5 1.75 . . . . 1.0 112.223 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.48 -25.0 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 O-C-N 125.615 1.822 . . . . 1.0 112.937 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 49' ' ' LEU . 22.0 mt -72.86 -37.26 67.45 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 126.155 2.159 . . . . 1.0 112.63 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.78 56.05 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 126.307 2.255 . . . . 1.0 111.316 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.533 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.9 m-20 -67.12 -30.81 70.91 Favored 'General case' 0 C--N 1.388 2.273 0 O-C-N 124.585 1.178 . . . . 1.0 112.101 173.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 46' ' ' LEU . 2.7 mt -67.45 -33.47 75.21 Favored 'General case' 0 C--N 1.385 2.114 0 CA-C-N 114.759 -1.11 . . . . 1.0 112.699 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -36.52 84.35 Favored 'General case' 0 C--N 1.372 1.57 0 O-C-N 125.328 1.643 . . . . 1.0 113.002 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.15 -44.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 124.508 1.123 . . . . 1.0 111.439 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 48' ' ' ASP . 30.6 mm -70.72 -33.44 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 125.539 1.774 . . . . 1.0 113.394 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 m -61.73 -30.53 70.83 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 127.348 2.905 . . . . 1.0 113.507 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -72.65 -33.21 66.43 Favored 'General case' 0 C--N 1.387 2.216 0 O-C-N 124.785 1.303 . . . . 1.0 113.145 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.31 -39.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 124.835 1.334 . . . . 1.0 111.49 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.97 -24.19 64.21 Favored 'General case' 0 C--N 1.388 2.258 0 O-C-N 125.238 1.586 . . . . 1.0 114.086 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -89.56 -34.51 16.33 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 125.879 1.987 . . . . 1.0 112.953 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.32 -19.25 61.69 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 127.343 2.902 . . . . 1.0 110.378 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.62 5.85 46.26 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-N 114.05 -1.432 . . . . 1.0 112.78 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.93 31.32 80.13 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 115.044 -0.98 . . . . 1.0 114.684 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -115.3 148.85 38.71 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 123.274 0.63 . . . . 1.0 109.534 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.26 125.0 72.39 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-N 114.869 -1.059 . . . . 1.0 111.205 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -99.62 126.39 45.61 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.069 1.481 . . . . 1.0 110.389 176.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.21 129.75 55.86 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 124.454 1.096 . . . . 1.0 111.06 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 134.62 53.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 108.643 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -78.64 133.64 62.55 Favored Pre-proline 0 C--O 1.259 1.594 0 O-C-N 125.285 1.616 . . . . 1.0 110.609 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.5 122.84 10.35 Favored 'Trans proline' 0 C--N 1.41 3.815 0 N-CA-C 117.065 1.91 . . . . 1.0 117.065 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.784 ' HB2' ' HG3' ' A' ' 98' ' ' PRO . . . -69.15 141.09 54.68 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 111.552 -2.567 . . . . 1.0 110.187 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -138.97 157.88 45.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.268 -0.878 . . . . 1.0 111.461 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 50.4 m -88.95 123.61 33.46 Favored 'General case' 0 C--O 1.269 2.118 0 O-C-N 125.229 1.58 . . . . 1.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -84.41 -10.62 57.38 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 114.923 1.453 . . . . 1.0 114.923 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HD2' ' HB2' ' A' ' 94' ' ' TRP . 28.7 mttt -93.18 -47.6 6.87 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 114.337 1.236 . . . . 1.0 114.337 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.3 p -96.52 -19.02 19.41 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.903 1.377 . . . . 1.0 113.327 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.63 -16.23 61.21 Favored Glycine 0 C--N 1.381 3.028 0 O-C-N 124.132 0.895 . . . . 1.0 113.849 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.79 133.47 42.38 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 125.408 1.299 . . . . 1.0 111.864 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.16 128.09 63.89 Favored 'Isoleucine or valine' 0 C--O 1.259 1.581 0 O-C-N 125.492 1.745 . . . . 1.0 111.136 -174.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -100.23 149.54 23.46 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 125.155 1.534 . . . . 1.0 111.837 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 148.48 51.82 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 125.008 1.443 . . . . 1.0 110.284 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.57 120.54 14.16 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.255 0.972 . . . . 1.0 111.198 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -126.39 177.61 6.35 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.942 -1.481 . . . . 1.0 110.533 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.562 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -103.14 -83.59 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 CA-C-N 113.857 -1.519 . . . . 1.0 109.531 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.562 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.8 m120 -59.58 142.28 53.09 Favored 'General case' 0 C--O 1.273 2.324 0 O-C-N 125.567 1.792 . . . . 1.0 107.44 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.85 140.27 21.83 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 124.568 1.167 . . . . 1.0 112.959 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -80.46 151.95 20.14 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 121.224 1.283 . . . . 1.0 114.956 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m -86.42 -17.77 33.49 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 125.023 1.452 . . . . 1.0 111.014 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -149.4 146.26 27.38 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 124.213 1.005 . . . . 1.0 110.193 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 C--N 1.369 1.424 0 O-C-N 124.603 1.189 . . . . 1.0 110.048 177.127 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.064 -0.97 . . . . 1.0 113.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.534 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -93.94 93.93 8.18 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 126.353 2.283 . . . . 1.0 113.961 -176.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.69 139.96 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 114.446 -1.252 . . . . 1.0 108.009 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.3 134.92 35.01 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.793 1.933 . . . . 1.0 109.759 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.63 146.19 60.17 Favored Pre-proline 0 C--N 1.368 1.397 0 O-C-N 123.991 0.807 . . . . 1.0 111.846 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.784 ' HG3' ' HB2' ' A' ' 68' ' ' ALA . 23.1 Cg_exo -72.0 162.72 40.99 Favored 'Trans proline' 0 C--N 1.409 3.753 0 C-N-CA 122.209 1.939 . . . . 1.0 115.493 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.83 138.86 49.04 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 113.757 -1.565 . . . . 1.0 109.638 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -112.82 128.03 56.33 Favored 'General case' 0 C--O 1.254 1.328 0 O-C-N 124.961 1.413 . . . . 1.0 111.399 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -137.82 150.02 46.84 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 124.484 1.115 . . . . 1.0 110.806 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -120.73 131.35 54.48 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 123.853 0.721 . . . . 1.0 109.865 178.228 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -119.09 134.08 55.41 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 115.184 -0.916 . . . . 1.0 109.963 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.52 120.53 40.45 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 124.984 1.428 . . . . 1.0 111.052 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.6 mttt . . . . . 2 N--CA 1.56 5.045 0 C-N-CA 126.815 2.046 . . . . 1.0 111.956 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 114.174 1.176 . . . . 1.0 114.174 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.75 56.35 Favored 'General case' 0 C--N 1.372 1.574 0 O-C-N 125.002 1.439 . . . . 1.0 113.932 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -84.77 -26.73 27.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.391 1.256 . . . . 1.0 114.391 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -45.9 65.77 Favored 'General case' 0 C--N 1.403 2.915 0 O-C-N 125.652 1.845 . . . . 1.0 114.157 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' ILE . 67.1 mtt180 -67.08 -40.4 86.99 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 114.3 -1.318 . . . . 1.0 114.297 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.5 -37.93 86.14 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 126.277 2.236 . . . . 1.0 112.07 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.66 -30.01 70.17 Favored 'General case' 0 C--N 1.385 2.123 0 O-C-N 124.562 1.164 . . . . 1.0 113.393 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' ARG . 9.3 mt -65.71 -48.85 80.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.513 0 O-C-N 124.191 0.932 . . . . 1.0 111.445 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -77.44 -2.64 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 O-C-N 124.79 1.306 . . . . 1.0 113.92 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -102.04 -42.82 5.96 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.274 -1.33 . . . . 1.0 113.771 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -22.43 24.86 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.097 1.498 . . . . 1.0 113.725 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -81.92 -9.88 59.45 Favored 'General case' 0 C--O 1.264 1.827 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -176.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -11.37 48.34 Favored 'General case' 0 C--N 1.407 3.081 0 C-N-CA 124.084 0.954 . . . . 1.0 112.65 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -102.98 -26.84 12.94 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 124.173 0.921 . . . . 1.0 113.066 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.39 -170.02 24.44 Favored Glycine 0 C--O 1.26 1.723 0 O-C-N 125.067 1.48 . . . . 1.0 112.311 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.58 132.73 55.79 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-O 121.478 0.656 . . . . 1.0 109.578 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.558 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 37.9 m-85 -139.19 145.91 39.9 Favored 'General case' 0 CA--C 1.473 -2.01 0 CA-C-N 115.021 -0.991 . . . . 1.0 110.388 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -76.87 157.63 81.47 Favored Pre-proline 0 C--O 1.257 1.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.035 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HB3' HG21 ' A' ' 45' ' ' ILE . 86.1 Cg_exo -52.28 -42.24 61.39 Favored 'Trans proline' 1 C--N 1.425 4.568 0 C-N-CA 122.726 2.284 . . . . 1.0 115.629 178.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -66.44 -29.32 69.44 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.233 0.958 . . . . 1.0 113.403 173.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.558 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 13.2 mt-10 -75.13 -36.9 61.57 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 125.059 1.474 . . . . 1.0 113.036 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.84 -65.79 0.63 Allowed 'General case' 0 C--N 1.372 1.566 0 O-C-N 126.882 2.614 . . . . 1.0 108.751 178.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -48.61 -21.56 0.61 Allowed 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.998 1.319 . . . . 1.0 114.154 175.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.24 -43.47 70.51 Favored 'General case' 0 C--N 1.418 3.565 0 C-N-CA 124.618 1.167 . . . . 1.0 111.776 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 33' ' ' ILE . 1.1 tt -84.06 85.51 2.06 Favored 'Isoleucine or valine' 0 C--O 1.282 2.768 0 O-C-N 124.911 1.382 . . . . 1.0 107.562 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.906 0 CA-C-O 121.179 0.514 . . . . 1.0 111.004 -174.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.482 1.127 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 45' ' ' ILE . 8.3 mttp -68.48 -60.64 2.29 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -176.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.6 mttm -76.02 -28.46 57.75 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 125.741 1.901 . . . . 1.0 113.109 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.09 -38.48 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 125.482 1.739 . . . . 1.0 111.411 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -74.01 -23.2 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 126.836 2.585 . . . . 1.0 112.668 177.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' A' ' 43' ' ' LYS . 33.9 mt -74.29 -36.1 63.74 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 126.126 2.141 . . . . 1.0 112.427 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -76.94 -27.85 55.01 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 126.498 2.374 . . . . 1.0 111.309 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.527 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -65.85 -30.64 71.28 Favored 'General case' 0 C--N 1.397 2.661 0 O-C-N 124.535 1.147 . . . . 1.0 111.834 174.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.18 -33.82 76.62 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 115.569 1.692 . . . . 1.0 115.569 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -62.62 -37.54 86.7 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 126.768 2.542 . . . . 1.0 113.623 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.505 HG21 ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -78.34 -42.69 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.195 1.398 . . . . 1.0 113.044 179.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' A' ' 55' ' ' ILE . 29.3 mm -71.7 -32.63 45.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 124.75 1.281 . . . . 1.0 113.62 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -30.45 71.14 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 127.538 3.023 . . . . 1.0 113.083 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.23 -32.78 64.94 Favored 'General case' 0 C--N 1.384 2.098 0 O-C-N 124.938 1.399 . . . . 1.0 113.195 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.7 -40.17 13.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 125.026 1.454 . . . . 1.0 111.515 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -23.64 64.2 Favored 'General case' 0 C--N 1.39 2.344 0 O-C-N 125.307 1.629 . . . . 1.0 114.05 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -90.31 -34.68 15.63 Favored 'General case' 0 CA--C 1.584 2.279 0 O-C-N 125.73 1.894 . . . . 1.0 112.334 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -72.22 -19.65 61.68 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 128.043 3.339 . . . . 1.0 110.202 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.13 6.1 46.33 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 113.986 -1.461 . . . . 1.0 112.861 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.81 30.88 78.44 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 115.152 -0.931 . . . . 1.0 114.711 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.0 mtm -115.01 151.46 34.15 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 123.321 0.648 . . . . 1.0 109.816 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.19 124.17 72.62 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.369 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.92 126.22 46.03 Favored 'General case' 0 C--O 1.262 1.726 0 O-C-N 125.132 1.52 . . . . 1.0 109.851 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.17 131.21 54.88 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 124.414 1.072 . . . . 1.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.06 132.94 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 124.494 1.121 . . . . 1.0 108.445 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -81.85 135.36 48.82 Favored Pre-proline 0 C--N 1.374 1.673 0 O-C-N 125.355 1.659 . . . . 1.0 110.425 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.93 123.19 10.39 Favored 'Trans proline' 0 C--N 1.405 3.552 0 N-CA-C 117.619 2.123 . . . . 1.0 117.619 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . . . -68.17 141.19 56.09 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 111.231 -2.713 . . . . 1.0 109.4 176.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -139.71 156.49 46.77 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.765 -173.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.84 121.84 32.35 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 125.593 1.808 . . . . 1.0 107.16 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -93.73 2.5 56.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.8 -47.6 5.24 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 p -97.78 -20.64 17.42 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.916 1.385 . . . . 1.0 113.595 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.51 52.77 Favored Glycine 0 C--N 1.374 2.64 0 O-C-N 124.75 1.281 . . . . 1.0 113.438 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.64 131.39 34.44 Favored 'General case' 0 C--N 1.398 2.704 0 O-C-N 125.211 1.183 . . . . 1.0 112.468 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.71 127.8 64.94 Favored 'Isoleucine or valine' 0 C--O 1.262 1.748 0 O-C-N 125.475 1.734 . . . . 1.0 110.82 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.09 150.91 20.93 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 124.843 1.339 . . . . 1.0 111.817 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -66.0 148.86 51.16 Favored 'General case' 0 C--O 1.269 2.086 0 O-C-N 124.881 1.363 . . . . 1.0 109.926 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 114.98 5.84 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 124.137 0.898 . . . . 1.0 111.049 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -122.82 175.33 6.6 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 114.058 -1.428 . . . . 1.0 110.77 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.564 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -100.72 -83.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.469 0 CA-C-N 114.38 -1.282 . . . . 1.0 110.554 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.564 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.3 m120 -58.35 140.3 53.77 Favored 'General case' 0 C--O 1.276 2.482 0 O-C-N 125.86 1.975 . . . . 1.0 107.165 173.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.02 147.95 33.93 Favored Pre-proline 0 CA--C 1.563 1.449 0 O-C-N 124.919 1.387 . . . . 1.0 113.107 -175.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -80.46 155.59 21.65 Favored 'Trans proline' 0 C--N 1.394 2.945 0 C-N-CA 121.732 1.621 . . . . 1.0 115.056 169.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 m -97.39 -20.78 17.58 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 125.369 1.668 . . . . 1.0 111.465 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -149.9 144.65 26.05 Favored 'General case' 0 C--O 1.263 1.799 0 CA-C-N 115.164 -0.926 . . . . 1.0 110.445 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.26 1.628 0 O-C-N 124.816 1.322 . . . . 1.0 111.389 177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.758 -0.639 . . . . 1.0 109.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -102.17 94.01 5.52 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 125.966 2.041 . . . . 1.0 110.851 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 147.1 31.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.357 0 CA-C-N 114.756 -1.111 . . . . 1.0 109.813 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.28 131.32 36.15 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 124.337 1.023 . . . . 1.0 110.345 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -80.19 140.3 53.03 Favored Pre-proline 0 C--O 1.256 1.414 0 O-C-N 124.83 1.331 . . . . 1.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 40.1 Cg_endo -62.72 157.51 47.08 Favored 'Trans proline' 0 C--N 1.411 3.866 0 C-N-CA 122.087 1.858 . . . . 1.0 115.409 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -109.75 135.75 50.18 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 113.388 -1.733 . . . . 1.0 110.573 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -117.55 127.49 54.04 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 124.962 1.414 . . . . 1.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -141.15 156.92 45.88 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 124.291 0.994 . . . . 1.0 110.492 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.48 136.3 53.9 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 123.8 0.687 . . . . 1.0 109.993 179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.56 133.23 55.76 Favored 'General case' 0 C--O 1.263 1.789 0 CA-C-N 114.912 -1.04 . . . . 1.0 109.654 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -102.87 121.79 43.22 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 125.621 1.826 . . . . 1.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 4.988 0 C-N-CA 126.893 2.077 . . . . 1.0 112.012 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 N-CA-C 114.639 1.348 . . . . 1.0 114.639 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.27 74.18 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.465 1.283 . . . . 1.0 114.465 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -83.72 -36.94 23.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 125.034 1.459 . . . . 1.0 114.137 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.09 81.62 Favored 'General case' 0 C--N 1.404 2.95 0 O-C-N 126.775 2.547 . . . . 1.0 113.522 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.0 mtm180 -69.66 -37.52 76.75 Favored 'General case' 0 C--N 1.387 2.226 0 O-C-N 125.268 1.605 . . . . 1.0 113.254 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.6 mt-10 -67.45 -35.93 80.19 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.08 2.112 . . . . 1.0 112.055 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -64.56 -32.51 74.19 Favored 'General case' 0 C--N 1.389 2.299 0 O-C-N 124.419 1.075 . . . . 1.0 113.076 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 13' ' ' ARG . 6.5 mt -67.64 -46.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 O-C-N 124.453 1.095 . . . . 1.0 110.986 176.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -71.27 -11.62 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 O-C-N 125.09 1.494 . . . . 1.0 113.681 178.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -98.97 -40.07 8.24 Favored 'General case' 0 C--O 1.244 0.763 0 O-C-N 125.343 1.652 . . . . 1.0 114.12 -172.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -21.3 23.88 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.497 1.748 . . . . 1.0 113.899 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.93 -9.38 58.14 Favored 'General case' 0 C--O 1.267 2.015 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 -175.088 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -11.27 52.61 Favored 'General case' 0 C--N 1.405 2.994 0 C-N-CA 124.028 0.931 . . . . 1.0 112.927 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -103.87 -26.22 12.76 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 124.64 1.213 . . . . 1.0 113.158 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.85 179.85 35.13 Favored Glycine 0 CA--C 1.486 -1.77 0 O-C-N 125.066 1.479 . . . . 1.0 112.039 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.563 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 5.0 p-10 -112.1 131.24 55.56 Favored 'General case' 0 C--O 1.268 2.066 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.073 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.83 146.75 47.83 Favored 'General case' 0 CA--C 1.471 -2.09 0 O-C-N 124.772 1.295 . . . . 1.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.13 161.63 67.38 Favored Pre-proline 0 C--O 1.251 1.172 0 O-C-N 124.491 1.119 . . . . 1.0 110.055 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HB3' HG21 ' A' ' 45' ' ' ILE . 83.8 Cg_exo -52.64 -46.52 32.84 Favored 'Trans proline' 1 C--N 1.43 4.868 0 C-N-CA 122.801 2.334 . . . . 1.0 115.209 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.29 -32.42 71.18 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 124.54 1.15 . . . . 1.0 113.03 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.89 -35.99 69.91 Favored 'General case' 0 C--N 1.405 2.986 0 O-C-N 125.249 1.593 . . . . 1.0 112.783 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.16 -3.23 18.96 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 125.431 1.707 . . . . 1.0 112.044 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.05 -30.47 11.16 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-N 113.559 -1.655 . . . . 1.0 110.12 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -64.66 -47.6 77.88 Favored 'General case' 0 C--N 1.396 2.618 0 O-C-N 124.227 0.955 . . . . 1.0 111.332 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.735 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -84.08 83.08 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.967 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 174.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.735 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.216 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.252 1.226 0 N-CA-C 112.525 0.565 . . . . 1.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 45' ' ' ILE . 62.2 mttt -73.94 -52.62 12.29 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HA ' HD12 ' A' ' 46' ' ' LEU . 60.5 mttt -74.74 -29.33 61.12 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 125.476 1.735 . . . . 1.0 113.832 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.6 -40.43 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 125.688 1.867 . . . . 1.0 111.305 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -73.33 -24.9 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 O-C-N 126.584 2.427 . . . . 1.0 112.939 178.046 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 43' ' ' LYS . 12.4 mt -73.62 -36.77 65.5 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.346 2.279 . . . . 1.0 112.131 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.02 -27.72 61.09 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 126.361 2.288 . . . . 1.0 111.349 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -33.29 75.61 Favored 'General case' 0 C--N 1.395 2.586 0 O-C-N 124.726 1.266 . . . . 1.0 111.863 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -34.33 78.17 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 116.185 1.92 . . . . 1.0 116.185 174.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.15 -36.03 82.7 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 126.952 2.658 . . . . 1.0 112.248 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.51 -45.26 46.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 124.594 1.157 . . . . 1.0 111.689 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.736 ' HA ' HD12 ' A' ' 55' ' ' ILE . 9.1 mt -69.57 -36.61 71.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 126.013 2.071 . . . . 1.0 112.335 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 p -60.73 -31.62 70.92 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 126.299 2.25 . . . . 1.0 114.355 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -71.34 -34.58 70.65 Favored 'General case' 0 C--N 1.39 2.342 0 O-C-N 125.084 1.49 . . . . 1.0 113.226 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -85.16 -39.08 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 O-C-N 125.29 1.619 . . . . 1.0 111.542 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -60.09 -24.74 64.87 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 125.509 1.755 . . . . 1.0 114.708 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -90.23 -35.4 15.35 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 125.762 1.914 . . . . 1.0 112.338 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -72.04 -21.75 61.49 Favored 'General case' 0 N--CA 1.524 3.241 0 O-C-N 128.486 3.616 . . . . 1.0 109.958 170.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.83 12.68 34.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-N 114.089 -1.414 . . . . 1.0 113.318 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.51 -60.06 1.58 Allowed Glycine 0 C--N 1.368 2.346 0 CA-C-O 117.85 -1.528 . . . . 1.0 116.591 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 104' ' ' ARG . 20.5 mtm -37.97 115.54 0.44 Allowed 'General case' 0 C--N 1.403 2.896 0 O-C-N 128.714 3.244 . . . . 1.0 110.948 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.81 139.67 18.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 114.846 -1.07 . . . . 1.0 112.801 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 101' ' ' LYS . 3.0 mm? -94.8 123.9 38.52 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 126.016 2.072 . . . . 1.0 113.156 176.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.91 131.13 55.57 Favored 'General case' 0 C--O 1.261 1.701 0 O-C-N 125.097 1.498 . . . . 1.0 110.783 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.28 131.42 65.03 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 O-C-N 124.641 1.213 . . . . 1.0 108.819 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -83.63 134.76 44.24 Favored Pre-proline 0 C--N 1.376 1.72 0 O-C-N 125.6 1.812 . . . . 1.0 109.911 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -67.55 118.88 5.92 Favored 'Trans proline' 0 C--N 1.409 3.745 0 N-CA-C 117.377 2.029 . . . . 1.0 117.377 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 141.75 58.27 Favored 'General case' 0 C--O 1.271 2.237 0 CA-C-N 110.697 -2.956 . . . . 1.0 109.114 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.668 ' HG3' HG13 ' A' ' 76' ' ' VAL . 2.6 tt0 -136.35 149.33 48.31 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 123.996 0.81 . . . . 1.0 111.905 -172.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -90.73 120.23 31.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 106.335 -1.728 . . . . 1.0 106.335 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -91.02 0.48 57.53 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.436 1.272 . . . . 1.0 114.436 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -99.8 -49.1 4.47 Favored 'General case' 0 C--N 1.362 1.148 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.94 -21.41 18.05 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 124.508 1.13 . . . . 1.0 113.032 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.53 -18.15 57.38 Favored Glycine 0 C--N 1.38 2.974 0 O-C-N 124.782 1.301 . . . . 1.0 113.562 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -53.0 131.71 36.57 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 125.199 1.176 . . . . 1.0 113.148 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.668 HG13 ' HG3' ' A' ' 69' ' ' GLN . 6.7 t -105.67 130.1 57.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.092 0 O-C-N 125.744 1.902 . . . . 1.0 109.461 -176.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.78 147.6 24.22 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.08 1.487 . . . . 1.0 111.381 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.37 153.38 43.06 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 124.781 1.301 . . . . 1.0 110.589 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.89 116.91 9.91 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.367 1.042 . . . . 1.0 111.306 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -123.31 174.51 7.27 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.665 -1.607 . . . . 1.0 110.482 -175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.45 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -103.63 46.3 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.675 0 CA-C-N 114.458 -1.246 . . . . 1.0 111.906 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.64 170.89 7.82 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 122.24 -0.288 . . . . 1.0 111.185 -175.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -119.03 126.4 27.1 Favored Pre-proline 0 CA--C 1.579 2.063 0 O-C-N 124.499 1.124 . . . . 1.0 108.427 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -77.97 146.18 22.93 Favored 'Trans proline' 0 C--N 1.389 2.684 0 C-N-CA 121.429 1.42 . . . . 1.0 115.597 171.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -97.04 -26.49 14.98 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.514 1.759 . . . . 1.0 111.044 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -146.83 141.37 26.57 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 123.702 0.801 . . . . 1.0 110.17 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.398 2.679 0 O-C-N 124.603 1.19 . . . . 1.0 109.795 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 117.906 -1.045 . . . . 1.0 113.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 94.23 9.55 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.889 2.618 . . . . 1.0 112.393 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 138.68 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 114.553 -1.203 . . . . 1.0 108.484 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.36 131.68 42.64 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 125.883 1.99 . . . . 1.0 108.85 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.17 138.51 72.12 Favored Pre-proline 0 C--O 1.254 1.336 0 O-C-N 124.259 0.974 . . . . 1.0 112.238 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.23 157.84 55.46 Favored 'Trans proline' 1 C--N 1.418 4.22 0 C-N-CA 121.646 1.564 . . . . 1.0 114.43 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -112.74 138.24 49.84 Favored 'General case' 0 C--O 1.26 1.62 0 CA-C-N 113.787 -1.551 . . . . 1.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.65 130.2 56.77 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 125.236 1.585 . . . . 1.0 110.122 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.563 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 23.7 mttt -138.46 153.23 48.83 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 124.485 1.116 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.61 129.29 55.66 Favored 'General case' 0 C--O 1.264 1.858 0 O-C-N 124.48 1.113 . . . . 1.0 109.539 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -124.33 148.38 47.52 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.054 -0.975 . . . . 1.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 61' ' ' MET . 49.6 mtt180 -104.77 120.02 40.39 Favored 'General case' 0 C--O 1.259 1.6 0 O-C-N 125.3 1.625 . . . . 1.0 110.67 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 2 N--CA 1.56 5.036 0 C-N-CA 126.935 2.094 . . . . 1.0 112.046 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 C--O 1.265 1.906 0 N-CA-C 113.415 0.894 . . . . 1.0 113.415 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.73 41.12 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 125.163 1.539 . . . . 1.0 113.406 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -82.74 -40.79 20.05 Favored 'General case' 0 C--N 1.373 1.624 0 O-C-N 124.974 1.421 . . . . 1.0 112.803 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 16' ' ' ILE . 84.8 mtt180 -61.13 -39.26 89.34 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 127.388 2.93 . . . . 1.0 112.169 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -70.64 -36.36 73.39 Favored 'General case' 0 C--N 1.388 2.281 0 O-C-N 125.711 1.882 . . . . 1.0 112.94 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.8 mt-10 -65.56 -33.02 74.94 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 126.114 2.134 . . . . 1.0 112.879 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -70.14 -25.46 63.48 Favored 'General case' 0 C--N 1.38 1.92 0 O-C-N 124.771 1.294 . . . . 1.0 113.328 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 36.5 mm -68.64 -46.75 79.39 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 124.62 1.2 . . . . 1.0 112.042 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -79.93 3.31 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.158 0 O-C-N 126.061 2.101 . . . . 1.0 113.284 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -107.95 -40.18 5.32 Favored 'General case' 0 C--N 1.392 2.433 0 C-N-CA 124.093 0.957 . . . . 1.0 112.618 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -22.5 20.7 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 124.881 1.363 . . . . 1.0 112.888 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.602 HD12 HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -81.85 -10.5 59.3 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.686 1.195 . . . . 1.0 114.002 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.9 -10.17 51.47 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.988 1.315 . . . . 1.0 112.667 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.57 -26.15 12.46 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 125.222 1.576 . . . . 1.0 113.716 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.53 -173.7 31.54 Favored Glycine 0 C--O 1.264 1.978 0 O-C-N 124.723 1.264 . . . . 1.0 111.936 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.516 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 2.4 p-10 -116.01 130.71 56.94 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 124.494 0.761 . . . . 1.0 110.586 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 42.7 m-85 -137.25 144.39 42.73 Favored 'General case' 0 C--O 1.271 2.203 0 O-C-N 124.634 1.209 . . . . 1.0 110.043 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 m -72.82 159.91 84.17 Favored Pre-proline 0 C--O 1.256 1.42 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.462 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HB3' HG21 ' A' ' 45' ' ' ILE . 86.8 Cg_exo -53.12 -45.28 42.21 Favored 'Trans proline' 1 C--N 1.431 4.918 0 C-N-CA 122.765 2.31 . . . . 1.0 114.947 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -66.56 -27.18 67.54 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 124.609 1.193 . . . . 1.0 112.896 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 10.1 mt-10 -76.14 -39.71 54.41 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 125.732 1.895 . . . . 1.0 112.914 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -63.85 1.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 127.835 3.21 . . . . 1.0 111.125 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.47 -20.57 1.9 Allowed 'General case' 0 C--N 1.377 1.798 0 N-CA-C 114.749 1.388 . . . . 1.0 114.749 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -41.79 73.32 Favored 'General case' 0 C--N 1.398 2.703 0 O-C-N 125.009 1.443 . . . . 1.0 112.882 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -81.07 84.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.038 0 O-C-N 125.599 1.812 . . . . 1.0 109.063 173.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.487 0 O-C-N 120.286 -1.509 . . . . 1.0 112.826 -171.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.271 2.187 0 N-CA-C 112.856 0.687 . . . . 1.0 112.856 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 45' ' ' ILE . 40.8 mttt -64.11 -52.09 60.82 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-O 117.648 -1.167 . . . . 1.0 113.352 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -74.56 -29.82 61.5 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 125.268 1.605 . . . . 1.0 113.935 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.64 -42.12 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 125.979 2.049 . . . . 1.0 111.338 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.04 -22.67 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.628 0 O-C-N 125.506 1.754 . . . . 1.0 113.257 178.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 49' ' ' LEU . 22.3 mt -76.42 -35.33 58.6 Favored 'General case' 0 C--N 1.372 1.559 0 O-C-N 124.899 1.374 . . . . 1.0 112.433 -177.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.13 -27.4 57.05 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 126.836 2.585 . . . . 1.0 111.806 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.29 -34.58 78.32 Favored 'General case' 0 C--N 1.394 2.536 0 O-C-N 125.231 1.582 . . . . 1.0 112.244 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mt -65.79 -33.04 74.93 Favored 'General case' 0 C--N 1.386 2.172 0 O-C-N 125.599 1.812 . . . . 1.0 113.189 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.72 -36.08 81.83 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.267 2.23 . . . . 1.0 112.58 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.29 -44.42 42.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.803 0 C-N-CA 124.978 1.311 . . . . 1.0 111.254 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.76 -32.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 O-C-N 125.682 1.864 . . . . 1.0 111.466 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -64.2 -31.85 73.21 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.93 1.394 . . . . 1.0 113.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.12 -34.32 68.49 Favored 'General case' 0 C--N 1.385 2.115 0 O-C-N 125.333 1.646 . . . . 1.0 113.678 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -85.2 -40.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 O-C-N 125.518 1.762 . . . . 1.0 111.983 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.75 -25.38 64.83 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 126.68 2.488 . . . . 1.0 113.774 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -88.29 -35.26 17.34 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.115 2.134 . . . . 1.0 115.199 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -69.5 -19.28 63.73 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 113.851 -1.522 . . . . 1.0 113.23 167.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 6.9 44.05 Favored 'General case' 0 C--O 1.276 2.48 0 CA-C-N 113.313 -1.767 . . . . 1.0 113.012 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.18 34.46 89.17 Favored Glycine 0 C--N 1.391 3.631 0 CA-C-O 117.864 -1.52 . . . . 1.0 114.474 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 mtm -120.76 147.69 44.98 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 125.044 1.085 . . . . 1.0 108.964 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 114.527 -1.215 . . . . 1.0 110.835 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -98.86 127.98 44.93 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 124.887 1.367 . . . . 1.0 110.213 176.382 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 126.9 53.51 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.541 1.151 . . . . 1.0 111.061 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -111.35 132.19 60.57 Favored 'Isoleucine or valine' 0 C--O 1.269 2.118 0 O-C-N 124.943 1.402 . . . . 1.0 108.962 -178.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.58 135.19 46.61 Favored Pre-proline 0 C--O 1.27 2.146 0 O-C-N 125.872 1.982 . . . . 1.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.97 126.91 14.44 Favored 'Trans proline' 1 C--N 1.418 4.229 0 C-N-CA 122.189 1.926 . . . . 1.0 115.157 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.14 58.26 Favored 'General case' 0 C--O 1.259 1.581 0 CA-C-N 110.938 -2.846 . . . . 1.0 109.425 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 76' ' ' VAL . 1.8 tt0 -136.29 148.12 47.81 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.186 0.929 . . . . 1.0 110.882 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 64.5 m -86.99 121.46 29.49 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 124.888 1.367 . . . . 1.0 108.586 172.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -88.71 -5.4 58.13 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.692 1.367 . . . . 1.0 114.692 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -95.67 -50.23 5.03 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 124.175 0.922 . . . . 1.0 113.411 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -95.64 -19.44 19.74 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 125.882 1.989 . . . . 1.0 113.155 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.33 -18.67 57.05 Favored Glycine 0 C--N 1.379 2.937 0 O-C-N 125.651 1.844 . . . . 1.0 114.123 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.02 132.84 43.23 Favored 'General case' 0 C--N 1.406 3.032 0 O-C-N 126.553 1.972 . . . . 1.0 111.512 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 69' ' ' GLN . 13.9 p -104.1 131.86 51.93 Favored 'Isoleucine or valine' 0 C--O 1.26 1.639 0 CA-C-N 113.586 -1.643 . . . . 1.0 110.029 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.77 149.85 23.75 Favored 'General case' 0 C--O 1.259 1.563 0 O-C-N 125.439 1.712 . . . . 1.0 111.298 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 146.43 54.67 Favored 'General case' 0 C--O 1.262 1.714 0 CA-C-N 114.562 -1.199 . . . . 1.0 110.584 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.06 117.7 9.48 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.675 1.235 . . . . 1.0 110.796 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.5 178.19 5.53 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 113.358 -1.747 . . . . 1.0 110.088 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.576 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -106.58 -80.82 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.738 0 CA-C-N 113.817 -1.538 . . . . 1.0 109.678 -179.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.576 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.8 m-80 -63.18 143.45 57.78 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 124.577 1.173 . . . . 1.0 108.782 171.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.1 147.2 33.78 Favored Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 124.859 1.349 . . . . 1.0 111.363 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -79.31 159.62 26.18 Favored 'Trans proline' 1 C--N 1.414 4.01 0 C-N-CA 121.893 1.729 . . . . 1.0 114.439 169.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 -21.84 22.5 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.815 1.322 . . . . 1.0 111.976 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -151.73 153.44 34.34 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 124.702 1.252 . . . . 1.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.3 m . . . . . 0 C--O 1.256 1.441 0 O-C-N 125.376 1.672 . . . . 1.0 111.246 175.081 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.273 2.341 0 N-CA-C 114.013 1.116 . . . . 1.0 114.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 88.12 4.51 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 122.158 0.98 . . . . 1.0 111.698 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.29 144.01 30.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.572 0 CA-C-N 113.493 -1.685 . . . . 1.0 109.214 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.08 132.72 36.37 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 125.648 1.842 . . . . 1.0 109.786 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.22 139.54 48.85 Favored Pre-proline 0 C--O 1.262 1.726 0 O-C-N 124.13 0.894 . . . . 1.0 111.625 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.43 160.24 43.72 Favored 'Trans proline' 1 C--N 1.421 4.36 0 C-N-CA 121.651 1.567 . . . . 1.0 114.305 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -113.94 139.33 49.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 125.533 1.771 . . . . 1.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 65' ' ' ILE . 68.5 m-85 -115.86 129.55 56.46 Favored 'General case' 0 C--O 1.261 1.703 0 O-C-N 125.429 1.706 . . . . 1.0 110.147 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 15.6 mttt -139.76 151.81 46.1 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 124.785 1.303 . . . . 1.0 110.788 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.403 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.46 130.96 54.53 Favored 'General case' 0 C--O 1.272 2.241 0 O-C-N 125.007 1.442 . . . . 1.0 110.132 178.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.5 136.74 54.68 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 125.091 1.495 . . . . 1.0 110.439 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -97.83 119.81 37.1 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 125.561 1.788 . . . . 1.0 111.267 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 2 N--CA 1.559 4.985 0 C-N-CA 126.909 2.083 . . . . 1.0 111.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.506 2.356 0 N-CA-C 113.566 0.95 . . . . 1.0 113.566 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.21 56.9 Favored 'General case' 0 C--N 1.391 2.394 0 C-N-CA 126.569 1.948 . . . . 1.0 113.543 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -74.52 -42.37 59.01 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 126.115 1.766 . . . . 1.0 112.104 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -52.96 -39.53 63.01 Favored 'General case' 0 N--CA 1.538 3.952 0 O-C-N 124.903 1.377 . . . . 1.0 112.421 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.788 ' HA ' HD12 ' A' ' 16' ' ' ILE . 13.1 mtp180 -70.44 -35.97 73.67 Favored 'General case' 0 N--CA 1.526 3.345 0 C-N-CA 125.832 1.653 . . . . 1.0 112.283 172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -65.25 -33.69 76.58 Favored 'General case' 0 N--CA 1.523 3.188 0 O-C-N 125.41 1.694 . . . . 1.0 112.624 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -65.65 -37.62 87.04 Favored 'General case' 0 C--N 1.406 3.06 0 C-N-CA 127.27 2.228 . . . . 1.0 112.651 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.8 mt -62.88 -49.31 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.753 0 C-N-CA 126.033 1.733 . . . . 1.0 108.705 174.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -68.58 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.791 0 C-N-CA 125.863 1.665 . . . . 1.0 113.874 177.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.37 -41.74 8.86 Favored 'General case' 0 C--N 1.396 2.621 0 C-N-CA 125.27 1.428 . . . . 1.0 112.834 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.85 -30.0 21.78 Favored 'General case' 0 C--N 1.401 2.841 0 N-CA-C 114.935 1.457 . . . . 1.0 114.935 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 100' ' ' PHE . 4.3 mm? -80.52 -9.7 59.76 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -14.99 47.02 Favored 'General case' 0 C--N 1.413 3.366 0 C-N-CA 127.051 2.14 . . . . 1.0 112.407 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -99.82 -28.88 12.91 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.42 1.488 . . . . 1.0 112.294 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.95 175.96 35.85 Favored Glycine 0 C--N 1.385 3.297 0 O-C-N 124.923 1.389 . . . . 1.0 113.681 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.596 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.6 p-10 -107.31 126.77 52.87 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 124.668 1.187 . . . . 1.0 110.047 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.42 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 54.6 m-85 -135.65 140.16 44.31 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.933 1.693 . . . . 1.0 110.069 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -77.23 161.74 71.85 Favored Pre-proline 0 N--CA 1.507 2.384 0 CA-C-O 115.783 -2.056 . . . . 1.0 112.288 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -50.32 -49.28 16.87 Favored 'Trans proline' 2 C--N 1.467 6.785 0 C-N-CA 123.657 2.904 . . . . 1.0 114.831 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.0 p -59.27 -34.02 71.75 Favored 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 125.159 1.383 . . . . 1.0 113.628 173.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 5.5 mt-10 -70.98 -35.29 72.07 Favored 'General case' 0 N--CA 1.53 3.574 0 C-N-CA 125.567 1.547 . . . . 1.0 111.265 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -9.58 47.66 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 125.575 1.797 . . . . 1.0 114.533 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.0 -33.9 10.63 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 127.23 2.212 . . . . 1.0 111.162 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.41 3.227 0 C-N-CA 126.6 1.96 . . . . 1.0 111.235 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.18 77.43 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.242 0 C-N-CA 127.253 2.221 . . . . 1.0 107.356 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.254 0 C-N-CA 129.104 2.962 . . . . 1.0 111.963 -176.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 113.926 1.084 . . . . 1.0 113.926 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -71.94 -61.76 1.67 Allowed 'General case' 0 C--N 1.399 2.753 0 C-N-CA 125.87 1.668 . . . . 1.0 114.779 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.7 mttt -73.8 -33.17 64.09 Favored 'General case' 0 N--CA 1.52 3.068 0 C-N-CA 126.152 1.781 . . . . 1.0 114.442 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.5 -42.25 94.66 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.282 0 C-N-CA 125.85 1.66 . . . . 1.0 110.441 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.259 0.1 OUTLIER -69.75 -39.55 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.373 0 O-C-N 125.547 1.78 . . . . 1.0 112.39 177.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.632 ' HA ' HD12 ' A' ' 49' ' ' LEU . 18.6 mt -62.17 -39.64 93.33 Favored 'General case' 0 N--CA 1.517 2.918 0 C-N-CA 127.367 2.267 . . . . 1.0 113.059 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.12 -30.01 63.31 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 125.282 1.433 . . . . 1.0 111.582 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.42 -34.2 77.42 Favored 'General case' 0 N--CA 1.521 3.109 0 C-N-CA 125.617 1.567 . . . . 1.0 111.176 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 46' ' ' LEU . 7.7 mt -67.18 -34.6 77.87 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.972 1.709 . . . . 1.0 113.735 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.65 -36.85 85.18 Favored 'General case' 0 N--CA 1.523 3.194 0 C-N-CA 126.646 1.979 . . . . 1.0 112.434 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -44.5 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.79 0 C-N-CA 126.985 2.114 . . . . 1.0 111.949 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mt -65.78 -42.14 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.985 0 C-N-CA 125.583 1.553 . . . . 1.0 110.917 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -32.68 66.29 Favored 'General case' 0 N--CA 1.532 3.641 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -74.41 -36.06 63.46 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 125.319 1.448 . . . . 1.0 113.548 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -80.21 -39.0 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.486 0 O-C-N 124.721 1.263 . . . . 1.0 109.487 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.4 71.27 Favored 'General case' 0 C--N 1.413 3.354 0 N-CA-C 116.318 1.97 . . . . 1.0 116.318 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -34.06 22.57 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 124.859 1.264 . . . . 1.0 109.952 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -68.77 -29.87 68.35 Favored 'General case' 0 N--CA 1.535 3.786 0 O-C-N 126.228 2.205 . . . . 1.0 112.474 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.75 5.07 33.97 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 125.931 2.019 . . . . 1.0 112.45 175.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.17 35.54 91.68 Favored Glycine 0 C--N 1.397 3.966 0 C-N-CA 125.5 1.524 . . . . 1.0 116.301 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.3 mtt -120.23 143.22 48.4 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 126.696 1.998 . . . . 1.0 109.691 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.02 124.51 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 124.656 1.222 . . . . 1.0 111.672 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.83 122.98 44.35 Favored 'General case' 0 C--N 1.376 1.736 0 O-C-N 125.623 1.827 . . . . 1.0 109.528 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.78 125.09 51.57 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 125.631 1.832 . . . . 1.0 109.748 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -105.05 127.36 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.684 -2.053 . . . . 1.0 107.3 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.99 130.62 72.22 Favored Pre-proline 0 CA--C 1.583 2.227 0 O-C-N 125.393 1.683 . . . . 1.0 110.772 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.78 123.53 11.8 Favored 'Trans proline' 1 C--N 1.453 6.066 0 C-N-CA 123.001 2.467 . . . . 1.0 116.472 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.39 139.18 58.55 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 112.936 -1.938 . . . . 1.0 109.844 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG3' HG13 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -138.29 147.22 43.38 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 113.271 0.841 . . . . 1.0 113.271 -172.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -91.01 117.69 29.78 Favored 'General case' 0 C--N 1.384 2.072 0 O-C-N 125.323 1.639 . . . . 1.0 107.154 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -88.19 -10.87 48.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.119 1.768 . . . . 1.0 114.931 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.27 -45.61 7.76 Favored 'General case' 0 C--N 1.38 1.895 0 C-N-CA 125.471 1.508 . . . . 1.0 113.454 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.46 -27.29 15.47 Favored 'General case' 0 C--N 1.386 2.19 0 O-C-N 125.081 1.488 . . . . 1.0 113.38 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.77 -20.98 43.97 Favored Glycine 0 C--N 1.378 2.886 0 O-C-N 125.146 1.529 . . . . 1.0 114.036 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.01 125.48 10.58 Favored 'General case' 0 C--N 1.402 2.85 0 C-N-CA 125.864 1.665 . . . . 1.0 113.886 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' HG3' ' A' ' 69' ' ' GLN . 3.2 t -100.61 120.66 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 125.707 1.88 . . . . 1.0 109.088 -177.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -103.9 147.6 27.14 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 126.957 2.66 . . . . 1.0 110.538 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.79 138.81 58.17 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 124.127 0.971 . . . . 1.0 113.174 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.18 109.8 0.59 Allowed 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.422 1.489 . . . . 1.0 112.74 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -118.74 170.49 8.94 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.708 -2.042 . . . . 1.0 113.157 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.426 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -100.72 -88.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 CA-C-N 112.864 -1.971 . . . . 1.0 106.491 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.426 ' H ' HD12 ' A' ' 81' ' ' ILE . 7.9 p30 -57.04 144.91 32.43 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-O 117.573 -1.203 . . . . 1.0 110.717 173.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.59 131.54 22.84 Favored Pre-proline 0 N--CA 1.516 2.832 0 CA-C-O 117.521 -1.228 . . . . 1.0 110.561 -174.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -70.61 139.28 36.95 Favored 'Trans proline' 1 C--N 1.462 6.507 0 C-N-CA 123.416 2.744 . . . . 1.0 112.447 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 m -66.71 -32.45 73.76 Favored 'General case' 0 N--CA 1.522 3.164 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -151.14 121.24 7.19 Favored 'General case' 0 C--N 1.386 2.156 0 C-N-CA 126.01 1.724 . . . . 1.0 110.612 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 CA--C 1.619 3.611 0 CA-C-O 115.075 -2.393 . . . . 1.0 110.905 172.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 . . . . . 0 CA--C 1.575 1.932 0 N-CA-C 112.167 0.432 . . . . 1.0 112.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -107.71 90.42 3.29 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.013 1.725 . . . . 1.0 107.763 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.78 143.77 39.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.557 0 CA-C-N 111.63 -2.532 . . . . 1.0 106.457 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -84.96 129.08 34.86 Favored 'General case' 0 C--N 1.382 2.013 0 C-N-CA 124.935 1.294 . . . . 1.0 110.052 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 133.54 64.28 Favored Pre-proline 0 CA--C 1.574 1.892 0 O-C-N 124.567 1.167 . . . . 1.0 112.353 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.29 153.15 76.15 Favored 'Trans proline' 1 C--N 1.446 5.695 0 C-N-CA 124.025 3.15 . . . . 1.0 114.621 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -113.64 132.58 55.71 Favored 'General case' 0 C--N 1.385 2.113 0 C-N-CA 124.666 1.186 . . . . 1.0 109.531 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . 0.459 ' O ' HD12 ' A' ' 20' ' ' LEU . 97.8 m-85 -112.69 124.21 52.06 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 125.79 1.932 . . . . 1.0 109.236 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.596 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 4.8 mttt -134.71 148.67 50.35 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.222 1.409 . . . . 1.0 110.697 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.43 128.92 54.47 Favored 'General case' 0 C--O 1.263 1.793 0 C-N-CA 124.947 1.299 . . . . 1.0 109.888 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.71 129.6 55.36 Favored 'General case' 0 C--O 1.261 1.666 0 O-C-N 125.369 1.668 . . . . 1.0 110.667 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -95.1 116.87 29.28 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 125.685 1.865 . . . . 1.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 2 N--CA 1.559 4.989 0 C-N-CA 126.987 2.115 . . . . 1.0 111.864 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 112.944 0.72 . . . . 1.0 112.944 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.46 -27.17 37.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 124.727 1.267 . . . . 1.0 113.189 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -82.77 -34.65 27.02 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 124.517 1.136 . . . . 1.0 112.778 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -59.31 -36.98 76.62 Favored 'General case' 0 C--N 1.382 2.015 0 O-C-N 126.509 2.381 . . . . 1.0 112.183 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.781 ' HA ' HD12 ' A' ' 16' ' ' ILE . 56.3 mtt180 -70.95 -35.36 72.15 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 125.11 1.506 . . . . 1.0 112.124 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 17' ' ' ILE . 20.2 mt-10 -65.98 -32.6 74.17 Favored 'General case' 0 C--N 1.37 1.476 0 O-C-N 125.816 1.948 . . . . 1.0 112.448 175.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.42 -29.27 66.96 Favored 'General case' 0 C--N 1.379 1.854 0 O-C-N 124.232 0.958 . . . . 1.0 112.982 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.5 mt -67.38 -45.9 84.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 O-C-N 124.443 1.089 . . . . 1.0 111.173 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.7 OUTLIER -79.59 2.71 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 O-C-N 124.317 1.011 . . . . 1.0 113.285 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -109.15 -40.04 5.08 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 115.485 -0.78 . . . . 1.0 112.757 -175.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -20.01 24.37 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 124.823 1.327 . . . . 1.0 112.999 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.99 -9.31 58.18 Favored 'General case' 0 C--O 1.263 1.787 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -8.87 55.03 Favored 'General case' 0 C--N 1.39 2.338 0 C-N-CA 124.299 1.04 . . . . 1.0 112.358 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -104.33 -26.03 12.63 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.84 1.338 . . . . 1.0 113.361 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.15 -174.38 33.87 Favored Glycine 0 C--O 1.259 1.697 0 O-C-N 124.508 1.13 . . . . 1.0 112.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.72 132.22 54.38 Favored 'General case' 0 C--O 1.26 1.64 0 C-N-CA 122.601 0.36 . . . . 1.0 110.294 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 39.0 m-85 -140.05 142.59 36.16 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-N 115.304 -0.862 . . . . 1.0 109.9 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 160.33 77.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 CA-C-O 117.627 -1.177 . . . . 1.0 110.612 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -53.13 -43.23 58.82 Favored 'Trans proline' 0 C--N 1.414 3.993 0 C-N-CA 122.792 2.328 . . . . 1.0 115.348 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -63.57 -29.85 71.05 Favored 'General case' 0 C--N 1.39 2.328 0 O-C-N 124.613 1.196 . . . . 1.0 111.909 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 3.4 mt-10 -76.64 -37.21 56.68 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.469 1.73 . . . . 1.0 111.9 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.63 -3.49 12.08 Favored 'General case' 0 C--N 1.382 2.008 0 O-C-N 126.194 2.184 . . . . 1.0 111.76 171.266 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.96 -28.31 12.82 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 124.9 1.375 . . . . 1.0 111.71 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -64.68 -45.95 84.48 Favored 'General case' 0 C--N 1.384 2.076 0 O-C-N 124.622 1.201 . . . . 1.0 112.001 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.506 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -79.86 77.34 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.92 0 C-N-CA 124.328 1.051 . . . . 1.0 109.779 174.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.255 1.355 0 O-C-N 122.048 -0.407 . . . . 1.0 110.79 -175.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 45' ' ' ILE . 15.3 p . . . . . 0 C--O 1.247 0.945 0 N-CA-C 112.332 0.493 . . . . 1.0 112.332 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.46 -42.0 96.2 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.4 1.063 . . . . 1.0 113.324 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -72.92 -28.11 62.26 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.341 1.651 . . . . 1.0 113.219 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.03 -42.73 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 125.018 1.449 . . . . 1.0 111.601 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 41' ' ' SER . 18.0 mm -74.06 -39.08 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 125.36 1.662 . . . . 1.0 112.284 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.3 mt -64.2 -34.88 79.1 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 125.538 1.773 . . . . 1.0 112.44 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.73 -26.89 57.89 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 125.766 1.916 . . . . 1.0 111.312 173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.396 2.591 0 O-C-N 124.64 1.213 . . . . 1.0 111.729 173.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.94 -32.68 74.1 Favored 'General case' 0 C--N 1.377 1.794 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.17 -36.19 82.79 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 126.72 2.512 . . . . 1.0 112.635 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -74.93 -44.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 124.86 1.264 . . . . 1.0 112.095 179.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' A' ' 55' ' ' ILE . 6.8 mt -72.64 -32.81 42.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 125.266 1.604 . . . . 1.0 111.713 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -64.31 -31.78 73.12 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.121 1.513 . . . . 1.0 112.795 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.02 -33.98 70.88 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 124.892 1.37 . . . . 1.0 112.935 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 52' ' ' ILE . 2.6 mt -84.3 -39.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 125.024 1.453 . . . . 1.0 111.534 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -59.17 -26.6 64.91 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 125.878 1.986 . . . . 1.0 113.574 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -88.65 -35.7 16.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 125.908 2.005 . . . . 1.0 115.102 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.06 -20.11 63.24 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 114.128 -1.396 . . . . 1.0 111.792 167.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -105.14 11.26 33.38 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-N 114.012 -1.449 . . . . 1.0 112.903 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.35 -60.51 2.35 Favored Glycine 0 C--N 1.375 2.699 0 CA-C-O 118.661 -1.077 . . . . 1.0 115.294 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ALA . 20.5 mtm -39.54 115.76 0.54 Allowed 'General case' 0 C--N 1.391 2.383 0 O-C-N 127.526 2.545 . . . . 1.0 111.252 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.56 134.92 42.06 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 CA-C-N 114.529 -1.214 . . . . 1.0 111.174 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.626 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -93.76 126.93 39.21 Favored 'General case' 0 C--O 1.259 1.571 0 O-C-N 124.978 1.424 . . . . 1.0 110.395 177.262 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.76 128.67 47.99 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 124.237 0.96 . . . . 1.0 111.03 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.39 127.69 68.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 135.63 44.74 Favored Pre-proline 0 C--N 1.366 1.291 0 O-C-N 125.342 1.651 . . . . 1.0 110.591 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -68.43 124.89 12.13 Favored 'Trans proline' 0 C--N 1.404 3.452 0 C-N-CA 122.26 1.973 . . . . 1.0 116.073 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 98' ' ' PRO . . . -69.72 141.09 53.54 Favored 'General case' 0 C--N 1.363 1.158 0 CA-C-N 111.116 -2.765 . . . . 1.0 110.004 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.77 158.12 44.63 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.318 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 93.1 m -89.33 125.34 35.08 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 125.21 1.569 . . . . 1.0 108.857 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -91.22 -4.33 56.12 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 113.886 1.069 . . . . 1.0 113.886 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -95.54 -49.15 5.53 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 113.367 0.877 . . . . 1.0 113.367 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.2 p -95.5 -20.75 18.78 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 125.384 1.677 . . . . 1.0 112.817 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.97 -18.33 57.71 Favored Glycine 0 C--N 1.374 2.69 0 O-C-N 125.026 1.454 . . . . 1.0 113.609 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.54 131.42 34.01 Favored 'General case' 0 C--N 1.395 2.584 0 O-C-N 125.63 1.429 . . . . 1.0 111.835 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.2 127.42 62.97 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 O-C-N 125.434 1.709 . . . . 1.0 110.147 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -96.21 149.68 21.38 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.589 1.806 . . . . 1.0 111.22 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.46 148.15 52.28 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 124.379 1.049 . . . . 1.0 110.55 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.25 110.38 2.2 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 124.499 1.124 . . . . 1.0 110.979 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 177.51 5.38 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 113.813 -1.54 . . . . 1.0 110.006 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.55 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -105.64 -82.37 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 CA-C-N 113.934 -1.484 . . . . 1.0 109.755 -179.089 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.55 ' H ' HD12 ' A' ' 81' ' ' ILE . 18.9 m-80 -64.66 146.82 54.15 Favored 'General case' 0 C--O 1.27 2.177 0 O-C-N 124.592 1.183 . . . . 1.0 108.978 172.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mt -112.41 137.3 21.54 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.352 1.033 . . . . 1.0 110.504 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -73.27 152.43 50.05 Favored 'Trans proline' 0 C--N 1.411 3.822 0 C-N-CA 121.855 1.703 . . . . 1.0 114.245 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.5 m -84.2 -20.28 32.6 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 114.291 -1.322 . . . . 1.0 112.335 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -143.73 144.25 31.76 Favored 'General case' 0 C--O 1.261 1.679 0 O-C-N 124.286 0.991 . . . . 1.0 110.788 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.9 t . . . . . 0 C--O 1.255 1.351 0 O-C-N 124.332 1.02 . . . . 1.0 110.26 176.732 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 . . . . . 0 C--O 1.259 1.603 0 N-CA-C 113.803 1.038 . . . . 1.0 113.803 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.76 88.04 6.52 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-O 121.98 0.895 . . . . 1.0 112.294 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.2 138.52 45.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 CA-C-N 114.134 -1.394 . . . . 1.0 109.427 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.82 132.96 37.71 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 125.582 1.801 . . . . 1.0 109.224 174.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.65 142.31 57.17 Favored Pre-proline 0 C--N 1.365 1.254 0 O-C-N 123.654 0.596 . . . . 1.0 112.041 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.427 ' HG3' ' HB2' ' A' ' 68' ' ' ALA . 38.7 Cg_exo -71.28 163.28 39.66 Favored 'Trans proline' 0 C--N 1.411 3.831 0 C-N-CA 121.895 1.73 . . . . 1.0 115.206 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -110.51 133.86 52.9 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 114.032 -1.44 . . . . 1.0 109.937 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -116.59 126.48 53.33 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 124.946 1.404 . . . . 1.0 110.18 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -140.24 156.77 46.35 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 124.595 1.184 . . . . 1.0 111.122 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.626 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -122.15 131.17 53.82 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 124.226 0.953 . . . . 1.0 110.001 177.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.83 141.09 51.59 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 124.456 1.097 . . . . 1.0 110.38 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -94.41 117.65 30.43 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.149 1.531 . . . . 1.0 111.486 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 5.015 0 C-N-CA 126.937 2.095 . . . . 1.0 111.95 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.006 -0.997 . . . . 1.0 113.674 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.56 134.42 53.15 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.595 1.184 . . . . 1.0 111.347 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -113.48 136.07 53.2 Favored 'General case' 0 C--O 1.259 1.569 0 O-C-N 125.333 1.646 . . . . 1.0 111.254 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -101.84 128.14 48.34 Favored 'General case' 0 C--N 1.374 1.65 0 O-C-N 125.152 1.532 . . . . 1.0 111.471 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.65 139.04 47.43 Favored 'General case' 0 C--O 1.257 1.471 0 O-C-N 125.561 1.788 . . . . 1.0 111.082 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -99.07 131.15 45.33 Favored 'General case' 0 C--N 1.374 1.655 0 O-C-N 125.005 1.441 . . . . 1.0 111.702 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.82 127.89 53.39 Favored 'General case' 0 C--O 1.259 1.583 0 O-C-N 125.548 1.78 . . . . 1.0 111.676 -179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 12' ' ' ARG . . . -112.58 177.47 18.42 Favored Glycine 0 C--N 1.361 1.952 0 O-C-N 125.666 1.854 . . . . 1.0 112.894 178.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.3 p -81.59 -31.52 32.49 Favored 'General case' 0 N--CA 1.509 2.484 0 C-N-CA 124.945 1.298 . . . . 1.0 113.819 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.91 -36.91 59.27 Favored 'General case' 0 C--N 1.389 2.304 0 C-N-CA 126.036 1.734 . . . . 1.0 114.395 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -79.44 -43.85 22.5 Favored 'General case' 0 N--CA 1.52 3.05 0 C-N-CA 125.559 1.543 . . . . 1.0 112.443 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.0 OUTLIER -51.54 -38.82 56.03 Favored 'General case' 0 N--CA 1.532 3.632 0 O-C-N 124.914 1.384 . . . . 1.0 113.334 177.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 16' ' ' ILE . 3.9 mtp180 -71.4 -38.23 71.48 Favored 'General case' 0 C--N 1.41 3.239 0 C-N-CA 125.623 1.569 . . . . 1.0 111.628 174.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -62.0 -32.55 73.03 Favored 'General case' 0 N--CA 1.517 2.92 0 O-C-N 125.342 1.651 . . . . 1.0 111.768 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -72.05 -35.57 69.37 Favored 'General case' 0 C--N 1.402 2.849 0 C-N-CA 127.307 2.243 . . . . 1.0 113.592 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.4 mt -59.55 -48.92 85.58 Favored 'Isoleucine or valine' 1 N--CA 1.544 4.237 0 C-N-CA 126.255 1.822 . . . . 1.0 109.076 175.572 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.57 -4.2 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.099 0 C-N-CA 126.797 2.039 . . . . 1.0 114.09 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -96.81 -42.26 8.05 Favored 'General case' 0 C--N 1.402 2.859 0 C-N-CA 125.603 1.561 . . . . 1.0 111.859 -177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -84.35 -35.62 23.1 Favored 'General case' 0 C--N 1.404 2.96 0 C-N-CA 125.223 1.409 . . . . 1.0 113.598 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 30' ' ' LEU . 23.6 mt -70.94 -11.13 60.79 Favored 'General case' 0 C--N 1.396 2.63 0 N-CA-C 115.89 1.811 . . . . 1.0 115.89 -178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.47 -22.94 23.4 Favored 'General case' 0 C--N 1.421 3.688 0 C-N-CA 127.82 2.448 . . . . 1.0 113.054 177.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -95.05 -28.43 15.11 Favored 'General case' 0 C--N 1.386 2.19 0 C-N-CA 125.618 1.567 . . . . 1.0 112.34 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.61 -169.39 17.84 Favored Glycine 0 C--N 1.385 3.304 0 O-C-N 124.91 1.382 . . . . 1.0 113.4 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.583 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.8 p-10 -122.57 127.82 49.94 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.079 1.351 . . . . 1.0 109.075 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 44.1 m-85 -136.71 140.98 43.05 Favored 'General case' 0 C--O 1.258 1.548 0 C-N-CA 125.909 1.684 . . . . 1.0 109.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -75.1 158.81 83.81 Favored Pre-proline 0 N--CA 1.505 2.308 0 CA-C-O 115.502 -2.189 . . . . 1.0 111.594 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.01 -47.74 22.46 Favored 'Trans proline' 1 C--N 1.465 6.664 0 C-N-CA 123.242 2.628 . . . . 1.0 115.043 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.5 m -60.95 -33.88 73.87 Favored 'General case' 0 C--N 1.396 2.609 0 C-N-CA 125.612 1.565 . . . . 1.0 113.997 173.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -71.81 -34.61 69.5 Favored 'General case' 0 N--CA 1.527 3.388 0 C-N-CA 126.221 1.808 . . . . 1.0 111.55 176.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD11 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -69.2 -3.77 14.97 Favored 'General case' 0 N--CA 1.524 3.244 0 O-C-N 125.219 1.574 . . . . 1.0 114.681 171.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.02 -29.33 10.97 Favored 'General case' 0 C--N 1.381 1.946 0 C-N-CA 127.048 2.139 . . . . 1.0 112.469 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -42.84 80.86 Favored 'General case' 0 C--N 1.408 3.112 0 C-N-CA 125.007 1.323 . . . . 1.0 112.561 178.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -84.08 76.92 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.608 3.205 0 C-N-CA 126.478 1.911 . . . . 1.0 108.054 174.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 153.66 -160.41 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.578 0 C-N-CA 129.942 3.297 . . . . 1.0 110.662 -175.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -107.73 120.93 43.63 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 127.083 2.153 . . . . 1.0 108.068 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.1 mtm -81.66 -31.59 32.24 Favored 'General case' 0 N--CA 1.515 2.806 0 N-CA-C 115.034 1.494 . . . . 1.0 115.034 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 63.97 -72.79 0.05 Allowed 'General case' 1 N--CA 1.542 4.167 0 C-N-CA 127.89 2.476 . . . . 1.0 113.217 178.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.67 -122.18 2.0 Favored Glycine 0 C--N 1.383 3.194 0 O-C-N 125.021 1.451 . . . . 1.0 110.64 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -117.91 140.02 50.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 125.475 1.338 . . . . 1.0 111.755 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 120.3 80.14 0.61 Allowed Glycine 0 C--N 1.371 2.489 0 O-C-N 125.448 1.717 . . . . 1.0 111.722 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.5 p -125.41 -34.34 2.71 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 125.81 1.535 . . . . 1.0 113.174 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -71.7 -54.17 11.15 Favored 'General case' 0 N--CA 1.516 2.858 0 C-N-CA 126.293 1.837 . . . . 1.0 114.65 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -72.34 -33.93 67.67 Favored 'General case' 0 N--CA 1.522 3.169 0 C-N-CA 125.519 1.528 . . . . 1.0 114.103 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.49 -46.28 83.63 Favored 'Isoleucine or valine' 1 N--CA 1.539 4.015 0 O-C-N 125.217 1.573 . . . . 1.0 110.473 178.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.273 0.1 OUTLIER -70.13 -37.77 72.87 Favored 'Isoleucine or valine' 0 N--CA 1.533 3.723 0 O-C-N 125.61 1.819 . . . . 1.0 112.277 178.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.635 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -66.93 -35.22 79.49 Favored 'General case' 0 C--N 1.397 2.653 0 C-N-CA 127.196 2.199 . . . . 1.0 114.639 177.245 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -76.25 -29.47 57.49 Favored 'General case' 0 N--CA 1.513 2.715 0 C-N-CA 125.018 1.327 . . . . 1.0 110.788 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.425 ' O ' HD12 ' A' ' 52' ' ' ILE . 7.7 m-20 -65.43 -34.49 78.41 Favored 'General case' 0 C--N 1.408 3.132 0 C-N-CA 126.174 1.79 . . . . 1.0 111.454 171.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' ' 46' ' ' LEU . 5.5 mt -66.22 -35.89 81.6 Favored 'General case' 0 C--N 1.408 3.12 0 C-N-CA 126.2 1.8 . . . . 1.0 113.24 175.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.86 -36.65 84.63 Favored 'General case' 0 N--CA 1.525 3.278 0 C-N-CA 126.441 1.896 . . . . 1.0 112.062 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.582 HG11 HH21 ' A' ' 13' ' ' ARG . 1.4 t -76.41 -41.0 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.081 0 C-N-CA 126.615 1.966 . . . . 1.0 109.652 176.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 48' ' ' ASP . 2.8 mt -67.61 -44.67 86.08 Favored 'Isoleucine or valine' 0 N--CA 1.531 3.596 0 C-N-CA 125.825 1.65 . . . . 1.0 111.481 177.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.1 m -56.51 -30.93 63.6 Favored 'General case' 0 N--CA 1.537 3.913 0 N-CA-C 115.873 1.805 . . . . 1.0 115.873 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -77.54 -36.84 51.92 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 125.765 1.626 . . . . 1.0 113.985 176.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.24 -36.31 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.522 3.169 0 C-N-CA 125.332 1.453 . . . . 1.0 113.373 179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.54 ' HA ' ' HG2' ' A' ' 59' ' ' GLU . . . -61.45 -32.05 72.01 Favored 'General case' 0 C--N 1.408 3.118 0 N-CA-C 115.952 1.834 . . . . 1.0 115.952 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.7 mttt -82.82 -27.82 30.61 Favored 'General case' 0 N--CA 1.526 3.367 0 O-C-N 124.832 1.333 . . . . 1.0 111.225 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -75.03 -29.69 60.86 Favored 'General case' 0 N--CA 1.522 3.143 0 O-C-N 125.941 2.025 . . . . 1.0 113.033 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.54 ' HG2' ' HA ' ' A' ' 56' ' ' ALA . 12.4 pt-20 -87.45 6.53 33.53 Favored 'General case' 0 CA--C 1.6 2.886 0 O-C-N 125.37 1.669 . . . . 1.0 111.938 176.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.34 31.15 76.33 Favored Glycine 0 C--N 1.387 3.412 0 CA-C-O 118.03 -1.428 . . . . 1.0 115.73 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.51 144.03 44.02 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 126.703 2.001 . . . . 1.0 110.122 -176.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.28 126.98 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 124.457 1.098 . . . . 1.0 111.608 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.575 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -98.36 123.88 42.72 Favored 'General case' 0 C--N 1.382 1.992 0 O-C-N 125.461 1.725 . . . . 1.0 109.754 177.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.74 122.26 45.71 Favored 'General case' 0 C--O 1.26 1.657 0 O-C-N 125.42 1.7 . . . . 1.0 109.615 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.444 ' HA ' ' O ' ' A' ' 99' ' ' ARG . 0.8 OUTLIER -111.47 126.49 68.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 O-C-N 125.961 2.038 . . . . 1.0 106.763 -179.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -82.02 130.68 59.36 Favored Pre-proline 0 CA--C 1.578 2.023 0 O-C-N 125.429 1.706 . . . . 1.0 109.966 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -62.81 125.86 16.92 Favored 'Trans proline' 1 C--N 1.453 6.027 0 C-N-CA 122.958 2.439 . . . . 1.0 115.742 -175.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 140.68 58.21 Favored 'General case' 0 N--CA 1.51 2.575 0 CA-C-N 113.387 -1.733 . . . . 1.0 109.593 177.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -139.1 152.6 47.63 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 113.574 0.953 . . . . 1.0 113.574 -173.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.4 t -86.82 116.22 24.76 Favored 'General case' 0 C--N 1.385 2.11 0 O-C-N 125.417 1.698 . . . . 1.0 106.867 171.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -83.26 -11.65 57.56 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 127.227 2.211 . . . . 1.0 115.092 -175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -90.83 -45.19 8.95 Favored 'General case' 0 C--N 1.381 1.945 0 C-N-CA 125.515 1.526 . . . . 1.0 113.499 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 10.8 p -97.75 -20.16 17.75 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 125.476 1.735 . . . . 1.0 114.48 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.25 -18.86 56.57 Favored Glycine 0 C--N 1.388 3.454 0 O-C-N 124.27 0.981 . . . . 1.0 113.471 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.3 131.91 33.49 Favored 'General case' 0 C--N 1.409 3.194 0 O-C-N 125.562 1.39 . . . . 1.0 112.016 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.98 124.94 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 126.021 2.076 . . . . 1.0 110.006 -175.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -99.24 146.93 25.68 Favored 'General case' 0 C--N 1.37 1.468 0 O-C-N 126.032 2.082 . . . . 1.0 111.256 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.3 mttt -64.92 140.74 58.9 Favored 'General case' 0 N--CA 1.506 2.36 0 C-N-CA 124.287 1.035 . . . . 1.0 112.595 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.83 119.91 5.15 Favored 'General case' 0 N--CA 1.523 3.185 0 C-N-CA 125.61 1.564 . . . . 1.0 112.034 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -127.07 163.71 23.16 Favored 'General case' 0 C--N 1.37 1.473 0 O-C-N 125.024 1.453 . . . . 1.0 112.143 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.603 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -99.96 -87.18 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.566 1.578 0 CA-C-N 112.131 -2.304 . . . . 1.0 106.63 178.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.603 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.5 t30 -59.23 139.51 56.88 Favored 'General case' 0 N--CA 1.522 3.158 0 O-C-N 124.3 1.0 . . . . 1.0 110.398 175.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . 0.273 0.0 OUTLIER -95.97 132.21 27.48 Favored Pre-proline 0 CA--C 1.582 2.196 0 CA-C-O 116.621 -1.656 . . . . 1.0 114.885 -172.061 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -74.51 144.02 31.62 Favored 'Trans proline' 1 C--N 1.455 6.15 0 C-N-CA 122.917 2.411 . . . . 1.0 112.18 172.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 m -80.36 -20.62 43.71 Favored 'General case' 0 N--CA 1.515 2.804 0 O-C-N 124.162 0.914 . . . . 1.0 113.107 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -145.51 148.64 33.44 Favored 'General case' 0 N--CA 1.501 2.082 0 C-N-CA 127.346 2.259 . . . . 1.0 110.576 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 m -74.04 127.11 88.62 Favored Pre-proline 0 CA--C 1.607 3.15 0 CA-C-O 116.843 -1.551 . . . . 1.0 112.912 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -66.13 -21.96 54.97 Favored 'Trans proline' 1 C--N 1.463 6.567 0 C-N-CA 123.295 2.663 . . . . 1.0 116.738 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -93.25 -55.85 3.17 Favored 'General case' 0 C--N 1.37 1.49 0 O-C-N 125.636 1.835 . . . . 1.0 113.286 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 34.0 m -98.29 -130.56 0.2 Allowed 'General case' 0 C--N 1.397 2.651 0 O-C-N 124.447 1.092 . . . . 1.0 111.911 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -149.25 -14.57 0.3 Allowed 'General case' 0 C--N 1.4 2.781 0 C-N-CA 126.095 1.758 . . . . 1.0 113.096 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.5 m -64.46 135.21 55.85 Favored 'General case' 0 C--N 1.39 2.326 0 C-N-CA 126.861 2.064 . . . . 1.0 116.196 -177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -96.51 8.23 44.6 Favored 'General case' 0 CA--C 1.574 1.892 0 O-C-N 127.454 2.971 . . . . 1.0 111.936 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -98.09 86.35 3.68 Favored 'General case' 0 C--N 1.393 2.468 0 C-N-CA 125.992 1.717 . . . . 1.0 109.843 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -120.82 134.27 64.79 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 CA-C-N 111.479 -2.601 . . . . 1.0 106.609 178.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -86.59 132.1 33.99 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 125.449 1.718 . . . . 1.0 108.629 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.13 132.28 82.55 Favored Pre-proline 0 C--N 1.382 2.011 0 CA-C-O 117.304 -1.331 . . . . 1.0 113.931 -176.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -60.81 155.73 47.44 Favored 'Trans proline' 1 C--N 1.46 6.418 0 C-N-CA 123.223 2.615 . . . . 1.0 114.375 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 87.8 mtt180 -108.51 131.78 54.48 Favored 'General case' 0 C--N 1.382 2.02 0 O-C-N 124.584 1.178 . . . . 1.0 109.138 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -108.69 125.11 51.53 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 125.287 1.617 . . . . 1.0 110.175 -178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.583 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 19.9 mttt -138.27 149.3 45.57 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 125.183 1.552 . . . . 1.0 111.252 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.575 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.4 OUTLIER -116.74 126.33 52.97 Favored 'General case' 0 C--O 1.265 1.897 0 O-C-N 124.869 1.355 . . . . 1.0 109.355 178.49 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -119.36 131.13 55.64 Favored 'General case' 0 C--O 1.265 1.914 0 O-C-N 125.127 1.517 . . . . 1.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -98.15 116.25 29.99 Favored 'General case' 0 C--O 1.271 2.22 0 O-C-N 126.026 2.079 . . . . 1.0 111.953 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.1 mttt . . . . . 3 N--CA 1.588 6.446 0 C-N-CA 128.414 2.686 . . . . 1.0 112.4 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.762 0 N-CA-C 112.466 0.543 . . . . 1.0 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -104.35 -33.49 8.62 Favored 'General case' 0 C--N 1.367 1.368 0 O-C-N 124.307 1.004 . . . . 1.0 112.807 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -115.0 128.25 56.17 Favored 'General case' 0 C--O 1.266 1.95 0 O-C-N 125.435 1.709 . . . . 1.0 110.461 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -120.86 140.17 52.16 Favored 'General case' 0 C--O 1.251 1.147 0 O-C-N 124.646 1.216 . . . . 1.0 110.65 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.64 -39.1 5.48 Favored 'General case' 0 CA--C 1.475 -1.914 0 CA-C-N 114.69 -1.141 . . . . 1.0 111.879 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 62.27 116.45 0.02 OUTLIER 'General case' 1 C--N 1.43 4.066 0 C-N-CA 125.431 1.493 . . . . 1.0 112.1 177.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -115.34 135.03 54.56 Favored 'General case' 0 C--O 1.263 1.788 0 CA-C-N 115.38 -0.827 . . . . 1.0 109.793 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.14 -57.64 0.03 OUTLIER Glycine 0 CA--C 1.478 -2.245 0 O-C-N 125.348 1.655 . . . . 1.0 114.707 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.1 m -80.4 -28.89 37.75 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.642 1.349 . . . . 1.0 114.642 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.61 -33.02 47.74 Favored 'General case' 0 C--N 1.376 1.75 0 O-C-N 124.884 1.365 . . . . 1.0 114.27 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.9 p -84.26 -26.32 28.71 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.876 1.436 . . . . 1.0 114.876 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -63.86 -43.68 95.37 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 126.682 2.489 . . . . 1.0 114.417 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.705 ' HA ' HD12 ' A' ' 16' ' ' ILE . 72.7 mtt180 -69.45 -38.75 77.92 Favored 'General case' 0 C--N 1.389 2.326 0 CA-C-N 113.931 -1.486 . . . . 1.0 114.063 177.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -66.09 -36.57 83.54 Favored 'General case' 0 C--N 1.378 1.821 0 O-C-N 127.105 2.753 . . . . 1.0 112.113 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -67.6 -31.38 71.39 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 124.56 1.162 . . . . 1.0 113.428 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.705 HD12 ' HA ' ' A' ' 13' ' ' ARG . 7.0 mt -65.23 -48.43 83.56 Favored 'Isoleucine or valine' 0 C--N 1.378 1.816 0 O-C-N 124.493 1.12 . . . . 1.0 111.574 177.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -76.54 -0.93 3.21 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.039 0 O-C-N 125.269 1.606 . . . . 1.0 114.08 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -98.25 -45.8 6.06 Favored 'General case' 0 C--N 1.39 2.326 0 CA-C-N 113.872 -1.513 . . . . 1.0 114.065 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -86.92 -28.13 22.95 Favored 'General case' 0 C--N 1.367 1.355 0 O-C-N 125.022 1.451 . . . . 1.0 113.627 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -73.1 -11.01 60.39 Favored 'General case' 0 C--N 1.399 2.729 0 N-CA-C 114.311 1.226 . . . . 1.0 114.311 -178.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -13.59 41.89 Favored 'General case' 0 C--N 1.424 3.836 0 C-N-CA 124.641 1.176 . . . . 1.0 112.029 178.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -101.1 -26.35 13.72 Favored 'General case' 0 C--N 1.378 1.818 0 O-C-N 124.315 1.009 . . . . 1.0 113.366 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.86 -165.45 19.97 Favored Glycine 0 CA--C 1.482 -1.995 0 O-C-N 125.038 1.461 . . . . 1.0 112.244 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -118.87 134.64 55.03 Favored 'General case' 0 C--O 1.267 2.012 0 CA-C-O 121.449 0.642 . . . . 1.0 109.481 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 24.4 m-85 -142.3 144.27 33.17 Favored 'General case' 0 CA--C 1.469 -2.147 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.092 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.47 155.31 85.69 Favored Pre-proline 0 C--O 1.262 1.728 0 O-C-N 124.42 1.075 . . . . 1.0 110.246 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.6 ' HB3' ' HB ' ' A' ' 45' ' ' ILE . 72.4 Cg_exo -53.48 -39.36 82.46 Favored 'Trans proline' 1 C--N 1.428 4.743 0 C-N-CA 122.934 2.423 . . . . 1.0 115.328 178.496 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.1 m -68.42 -28.47 67.1 Favored 'General case' 0 C--N 1.392 2.442 0 O-C-N 124.188 0.93 . . . . 1.0 113.147 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 19.7 mt-10 -74.89 -36.49 62.25 Favored 'General case' 0 C--N 1.396 2.614 0 O-C-N 125.229 1.581 . . . . 1.0 113.158 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.498 HD21 HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -66.36 -64.01 0.95 Allowed 'General case' 0 C--N 1.368 1.404 0 O-C-N 127.721 3.138 . . . . 1.0 108.804 178.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.605 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -50.54 -20.29 1.13 Allowed 'General case' 0 C--N 1.389 2.317 0 C-N-CA 125.174 1.389 . . . . 1.0 114.03 174.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -73.04 -44.61 60.56 Favored 'General case' 0 C--N 1.427 3.954 0 C-N-CA 124.939 1.296 . . . . 1.0 111.785 173.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.404 HG23 ' O ' ' A' ' 33' ' ' ILE . 1.1 tt -83.33 84.6 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.238 0 N-CA-C 106.724 -1.584 . . . . 1.0 106.724 173.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.605 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -170.79 175.62 4.46 Favored 'General case' 0 C--N 1.291 -1.937 0 CA-C-O 121.138 0.494 . . . . 1.0 110.874 -174.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -98.69 -4.45 33.65 Favored 'General case' 0 C--O 1.257 1.48 0 CA-C-N 113.745 -1.571 . . . . 1.0 111.857 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -110.74 145.11 38.65 Favored 'General case' 0 C--N 1.371 1.528 0 O-C-N 123.866 0.729 . . . . 1.0 111.518 -177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 69.7 mtt180 -109.03 137.4 47.0 Favored 'General case' 0 C--O 1.26 1.638 0 O-C-N 124.729 1.268 . . . . 1.0 109.844 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.66 160.75 29.48 Favored Glycine 0 C--O 1.26 1.76 0 O-C-N 125.044 1.465 . . . . 1.0 112.421 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -103.15 -41.76 5.98 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 118.077 -0.963 . . . . 1.0 112.348 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -116.91 93.36 0.59 Allowed Glycine 0 C--N 1.37 2.441 0 O-C-N 125.209 1.568 . . . . 1.0 110.602 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.521 ' O ' HG12 ' A' ' 45' ' ' ILE . 12.2 p -113.91 -16.02 12.27 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 114.167 1.173 . . . . 1.0 114.167 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 95.9 mttt -59.39 -43.1 92.99 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 124.752 1.221 . . . . 1.0 114.139 -177.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.7 mttt -71.22 -30.26 66.14 Favored 'General case' 0 C--N 1.371 1.521 0 O-C-N 126.313 2.258 . . . . 1.0 112.804 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.53 -45.99 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-N 113.704 -1.589 . . . . 1.0 110.866 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.6 ' HB ' ' HB3' ' A' ' 27' ' ' PRO . 17.2 mm -74.05 -32.56 33.33 Favored 'Isoleucine or valine' 0 C--O 1.248 1.024 0 O-C-N 126.06 2.1 . . . . 1.0 112.366 179.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.428 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER -65.95 -39.77 90.75 Favored 'General case' 0 CA--C 1.563 1.479 0 O-C-N 125.781 1.926 . . . . 1.0 112.49 178.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 14.7 mt-10 -76.95 -27.43 54.8 Favored 'General case' 0 C--N 1.378 1.838 0 O-C-N 126.513 2.383 . . . . 1.0 111.732 177.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.472 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -64.56 -31.34 72.52 Favored 'General case' 0 C--N 1.401 2.808 0 O-C-N 124.908 1.38 . . . . 1.0 111.672 174.314 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.34 -33.29 75.4 Favored 'General case' 0 C--N 1.385 2.145 0 N-CA-C 116.001 1.852 . . . . 1.0 116.001 172.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 95.6 mttt -63.06 -39.44 94.73 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 126.655 2.472 . . . . 1.0 113.423 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 48' ' ' ASP . 0.1 OUTLIER -79.6 -38.56 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.627 1.571 . . . . 1.0 112.972 178.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.7 -38.96 81.23 Favored 'Isoleucine or valine' 0 C--N 1.385 2.118 0 O-C-N 125.116 1.51 . . . . 1.0 112.763 177.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -60.69 -29.81 69.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 126.865 2.603 . . . . 1.0 114.157 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttp -73.61 -34.34 65.0 Favored 'General case' 0 C--N 1.39 2.358 0 O-C-N 124.572 1.17 . . . . 1.0 113.502 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 mt -85.31 -41.03 15.31 Favored 'Isoleucine or valine' 0 C--N 1.362 1.121 0 O-C-N 125.076 1.485 . . . . 1.0 111.242 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.8 -25.91 63.59 Favored 'General case' 0 C--N 1.391 2.408 0 O-C-N 125.859 1.975 . . . . 1.0 114.455 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.27 -33.88 19.11 Favored 'General case' 0 C--N 1.399 2.729 0 O-C-N 126.31 2.256 . . . . 1.0 113.474 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.0 mtt180 -74.15 -19.08 60.68 Favored 'General case' 0 N--CA 1.515 2.818 0 O-C-N 128.207 3.442 . . . . 1.0 110.164 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.96 4.88 46.6 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-N 113.764 -1.562 . . . . 1.0 112.805 176.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.28 29.2 74.35 Favored Glycine 0 C--N 1.392 3.645 0 CA-C-N 115.014 -0.994 . . . . 1.0 114.758 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 5.9 mtm -113.51 149.94 33.62 Favored 'General case' 0 C--N 1.382 1.982 0 C-N-CA 123.595 0.758 . . . . 1.0 109.54 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.39 125.52 72.66 Favored 'Isoleucine or valine' 0 C--O 1.258 1.547 0 CA-C-N 114.846 -1.07 . . . . 1.0 111.18 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.1 126.62 46.36 Favored 'General case' 0 C--O 1.264 1.856 0 O-C-N 125.404 1.69 . . . . 1.0 110.009 177.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.17 128.96 54.87 Favored 'General case' 0 C--O 1.261 1.709 0 O-C-N 124.735 1.272 . . . . 1.0 111.168 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -113.93 130.65 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 124.741 1.275 . . . . 1.0 107.891 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.99 134.99 55.56 Favored Pre-proline 0 C--N 1.378 1.811 0 O-C-N 125.513 1.758 . . . . 1.0 110.857 178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -67.47 125.09 12.85 Favored 'Trans proline' 0 C--N 1.41 3.78 0 N-CA-C 117.338 2.015 . . . . 1.0 117.338 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.84 139.11 58.28 Favored 'General case' 0 C--O 1.272 2.267 0 CA-C-N 110.972 -2.831 . . . . 1.0 109.35 176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.645 ' HG3' HG13 ' A' ' 76' ' ' VAL . 2.1 tt0 -136.48 150.08 48.51 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.784 -173.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.7 m -86.93 119.13 26.81 Favored 'General case' 0 C--O 1.274 2.377 0 N-CA-C 105.799 -1.926 . . . . 1.0 105.799 174.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -90.45 -1.85 57.92 Favored 'General case' 0 C--O 1.259 1.6 0 N-CA-C 115.177 1.547 . . . . 1.0 115.177 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -97.61 -46.82 5.87 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.704 1.002 . . . . 1.0 113.704 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.9 p -96.01 -21.39 18.03 Favored 'General case' 0 C--N 1.364 1.223 0 O-C-N 125.223 1.577 . . . . 1.0 113.47 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.46 -18.71 57.0 Favored Glycine 0 C--N 1.382 3.105 0 O-C-N 124.651 1.219 . . . . 1.0 113.627 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -53.17 134.25 38.98 Favored 'General case' 0 C--N 1.401 2.828 0 O-C-N 125.558 1.387 . . . . 1.0 112.495 178.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 69' ' ' GLN . 15.5 t -104.47 128.5 57.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 O-C-N 125.952 2.032 . . . . 1.0 109.496 -175.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -99.48 148.75 23.92 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.453 1.721 . . . . 1.0 111.492 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -64.12 149.31 47.94 Favored 'General case' 0 C--O 1.277 2.517 0 O-C-N 125.073 1.483 . . . . 1.0 110.071 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.1 127.73 32.97 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 124.554 1.159 . . . . 1.0 110.341 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -139.56 167.77 21.34 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 114.285 -1.325 . . . . 1.0 111.091 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.446 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -103.59 -80.0 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.732 0 O-C-N 125.614 1.821 . . . . 1.0 109.55 179.421 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.4 ' H ' HD12 ' A' ' 81' ' ' ILE . 1.4 m120 -61.31 144.1 54.52 Favored 'General case' 0 C--O 1.277 2.506 0 O-C-N 125.456 1.723 . . . . 1.0 107.141 174.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mt -104.47 135.4 19.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 124.674 1.234 . . . . 1.0 110.138 -176.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -74.37 152.16 43.78 Favored 'Trans proline' 1 C--N 1.417 4.137 0 C-N-CA 122.131 1.887 . . . . 1.0 114.339 172.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 66.9 m -88.2 -24.73 23.2 Favored 'General case' 0 C--O 1.246 0.885 0 O-C-N 125.361 1.663 . . . . 1.0 112.209 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.8 mtt180 -143.61 143.41 31.47 Favored 'General case' 0 C--O 1.267 1.986 0 O-C-N 124.122 0.889 . . . . 1.0 110.322 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 6.4 t -72.19 135.42 82.29 Favored Pre-proline 0 C--N 1.388 2.262 0 CA-C-O 118.066 -0.969 . . . . 1.0 111.185 175.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.36 -18.94 15.53 Favored 'Trans proline' 1 C--N 1.415 4.035 0 N-CA-C 116.37 1.642 . . . . 1.0 116.37 175.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -92.14 -61.27 1.65 Allowed 'General case' 0 C--N 1.371 1.527 0 O-C-N 124.793 1.308 . . . . 1.0 111.434 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -137.1 -106.26 0.2 Allowed 'General case' 0 N--CA 1.42 -1.933 0 O-C-N 125.527 1.767 . . . . 1.0 111.758 -176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -139.79 144.27 37.29 Favored 'General case' 0 C--O 1.278 2.601 0 O-C-N 125.274 1.609 . . . . 1.0 111.43 -171.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 95' ' ' ILE . 74.3 p -174.71 76.77 0.03 OUTLIER 'General case' 0 C--O 1.28 2.66 0 CA-C-N 114.156 -1.384 . . . . 1.0 114.475 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -84.97 -20.37 30.69 Favored 'General case' 0 CA--C 1.593 2.631 0 CA-C-N 115.135 -0.939 . . . . 1.0 111.536 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -105.98 91.94 3.95 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 126.244 2.215 . . . . 1.0 110.344 175.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 92' ' ' SER . 0.2 OUTLIER -124.79 150.48 29.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.26 0 CA-C-N 114.672 -1.149 . . . . 1.0 110.103 -177.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.08 132.4 34.8 Favored 'General case' 0 C--O 1.257 1.449 0 O-C-N 125.049 1.468 . . . . 1.0 110.484 177.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.72 141.13 51.41 Favored Pre-proline 0 C--N 1.37 1.467 0 O-C-N 125.07 1.481 . . . . 1.0 111.324 179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -63.22 157.61 48.85 Favored 'Trans proline' 1 C--N 1.417 4.159 0 C-N-CA 122.203 1.935 . . . . 1.0 115.477 178.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -107.93 136.79 47.05 Favored 'General case' 0 C--O 1.263 1.775 0 O-C-N 125.778 1.924 . . . . 1.0 110.171 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -116.22 125.71 52.62 Favored 'General case' 0 CA--C 1.485 -1.556 0 O-C-N 125.096 1.498 . . . . 1.0 110.724 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -141.32 157.28 45.41 Favored 'General case' 0 C--O 1.254 1.307 0 O-C-N 124.323 1.014 . . . . 1.0 110.533 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.45 129.89 55.64 Favored 'General case' 0 C--O 1.265 1.89 0 O-C-N 124.068 0.855 . . . . 1.0 110.006 178.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -118.79 134.5 55.1 Favored 'General case' 0 C--O 1.258 1.535 0 CA-C-N 114.946 -1.025 . . . . 1.0 109.726 179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -75.63 142.85 42.53 Favored 'General case' 0 N--CA 1.501 2.107 0 CA-C-N 114.633 -1.167 . . . . 1.0 109.977 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.9 mttt . . . . . 2 N--CA 1.564 5.243 0 C-N-CA 126.501 1.92 . . . . 1.0 110.491 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 1.983 0 N-CA-C 110.354 -0.239 . . . . 1.0 110.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -117.94 133.78 55.59 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 115.697 -0.683 . . . . 1.0 110.803 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -122.57 125.13 45.08 Favored 'General case' 0 C--O 1.269 2.122 0 CA-C-N 115.038 -0.983 . . . . 1.0 110.101 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.6 m80 -125.41 127.95 47.34 Favored 'General case' 0 C--O 1.262 1.739 0 O-C-N 124.988 1.43 . . . . 1.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -119.59 -51.58 2.27 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 114.821 -1.081 . . . . 1.0 111.679 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -129.6 150.07 51.09 Favored 'General case' 0 C--N 1.371 1.542 0 O-C-N 124.669 1.231 . . . . 1.0 110.999 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.566 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 17.3 m-70 -92.5 -45.65 8.03 Favored 'General case' 0 C--N 1.363 1.162 0 CA-C-N 115.26 -0.882 . . . . 1.0 112.027 178.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 102.91 -90.97 0.82 Allowed Glycine 0 C--N 1.37 2.427 0 O-C-N 125.746 1.904 . . . . 1.0 113.615 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 m -84.58 -22.82 29.91 Favored 'General case' 0 C--N 1.368 1.384 0 N-CA-C 114.455 1.28 . . . . 1.0 114.455 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.566 ' HB3' ' HB3' ' A' ' 7' ' ' HIS . . . -70.77 -33.69 71.04 Favored 'General case' 0 C--N 1.376 1.737 0 N-CA-C 114.003 1.112 . . . . 1.0 114.003 179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 p -84.25 -38.18 20.84 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 124.85 1.344 . . . . 1.0 113.591 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -63.58 -40.94 98.24 Favored 'General case' 0 C--N 1.396 2.599 0 O-C-N 126.258 2.224 . . . . 1.0 113.493 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.734 ' HA ' HD12 ' A' ' 16' ' ' ILE . 83.5 mtt180 -70.86 -39.19 73.04 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-N 113.778 -1.555 . . . . 1.0 113.236 177.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.5 mt-10 -65.94 -34.33 77.87 Favored 'General case' 0 C--N 1.377 1.786 0 O-C-N 126.787 2.554 . . . . 1.0 112.244 175.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.3 mttt -68.36 -31.64 71.16 Favored 'General case' 0 C--N 1.38 1.923 0 O-C-N 124.274 0.984 . . . . 1.0 113.329 178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' ' 13' ' ' ARG . 7.7 mt -65.49 -45.53 92.48 Favored 'Isoleucine or valine' 0 C--N 1.377 1.775 0 O-C-N 124.502 1.126 . . . . 1.0 111.716 178.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -78.4 3.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.578 2.044 0 O-C-N 125.026 1.454 . . . . 1.0 113.792 -179.841 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.47 -44.05 6.32 Favored 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.25 -1.341 . . . . 1.0 113.379 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.64 -31.59 21.02 Favored 'General case' 0 C--N 1.347 0.473 0 O-C-N 124.839 1.337 . . . . 1.0 112.77 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -69.69 -11.43 60.84 Favored 'General case' 0 C--N 1.401 2.83 0 O-C-N 124.629 1.206 . . . . 1.0 113.816 -177.72 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.39 -15.16 31.54 Favored 'General case' 0 C--N 1.417 3.529 0 C-N-CA 124.481 1.112 . . . . 1.0 111.908 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.55 -26.83 13.09 Favored 'General case' 0 C--N 1.374 1.663 0 O-C-N 124.452 1.095 . . . . 1.0 113.002 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -155.56 -166.61 15.9 Favored Glycine 0 CA--C 1.484 -1.882 0 O-C-N 125.069 1.481 . . . . 1.0 111.772 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.591 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -125.85 132.55 52.18 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 122.916 0.486 . . . . 1.0 109.872 -179.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -138.28 145.79 41.7 Favored 'General case' 0 CA--C 1.471 -2.06 0 O-C-N 124.186 0.929 . . . . 1.0 110.009 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -78.5 158.2 76.52 Favored Pre-proline 0 CA--C 1.553 1.058 0 O-C-N 124.562 1.164 . . . . 1.0 109.983 177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -50.11 -46.57 27.7 Favored 'Trans proline' 1 C--N 1.424 4.506 0 C-N-CA 123.462 2.775 . . . . 1.0 115.906 178.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.0 m -62.11 -32.7 73.3 Favored 'General case' 0 C--N 1.396 2.607 0 O-C-N 125.235 1.584 . . . . 1.0 113.001 173.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.22 -35.92 66.39 Favored 'General case' 0 C--N 1.404 2.952 0 O-C-N 125.209 1.568 . . . . 1.0 113.188 176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD21 HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -72.15 0.76 8.85 Favored 'General case' 0 C--N 1.398 2.696 0 O-C-N 125.419 1.699 . . . . 1.0 111.958 173.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.38 -26.14 12.56 Favored 'General case' 0 C--N 1.391 2.379 0 CA-C-N 113.681 -1.599 . . . . 1.0 110.621 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -65.09 -42.4 94.11 Favored 'General case' 0 C--N 1.391 2.411 0 O-C-N 124.309 1.006 . . . . 1.0 111.646 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -84.73 86.21 2.25 Favored 'Isoleucine or valine' 0 C--O 1.285 2.929 0 C-N-CA 124.406 1.082 . . . . 1.0 109.373 174.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 36' ' ' MET . 0.1 OUTLIER -174.52 165.32 3.84 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-O 121.271 0.558 . . . . 1.0 111.007 -178.314 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.92 36.14 4.44 Favored 'General case' 0 C--O 1.264 1.866 0 CA-C-N 113.849 -1.523 . . . . 1.0 111.209 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.541 ' HB2' HD22 ' A' ' 34' ' ' LEU . 1.6 mtm -107.51 -55.7 2.31 Favored 'General case' 0 CA--C 1.468 -2.183 0 CA-C-O 118.21 -0.9 . . . . 1.0 112.451 -176.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.3 mtt180 58.47 98.35 0.02 OUTLIER 'General case' 0 C--N 1.419 3.622 0 O-C-N 124.745 1.278 . . . . 1.0 109.858 -177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.58 -164.89 10.1 Favored Glycine 0 C--O 1.262 1.862 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.83 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -106.65 -37.43 6.44 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 118.125 -0.941 . . . . 1.0 112.894 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -118.55 114.05 2.75 Favored Glycine 0 C--N 1.366 2.209 0 O-C-N 125.328 1.642 . . . . 1.0 111.978 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.8 p -128.17 -18.89 4.02 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 124.873 0.984 . . . . 1.0 112.779 -178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.2 mttt -69.24 -49.94 51.65 Favored 'General case' 0 C--N 1.374 1.648 0 N-CA-C 113.982 1.104 . . . . 1.0 113.982 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -74.29 -31.63 62.58 Favored 'General case' 0 C--N 1.368 1.385 0 O-C-N 125.54 1.775 . . . . 1.0 113.12 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -69.53 -44.92 79.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 125.274 1.609 . . . . 1.0 111.586 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.52 -24.72 20.36 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.196 0 O-C-N 126.481 2.363 . . . . 1.0 112.892 178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -73.2 -35.56 66.37 Favored 'General case' 0 N--CA 1.425 -1.684 0 O-C-N 127.029 2.706 . . . . 1.0 114.684 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -78.13 -27.66 48.31 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 127.139 2.774 . . . . 1.0 111.443 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.503 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.6 m-20 -65.75 -30.61 71.3 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 124.758 1.286 . . . . 1.0 112.309 174.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 46' ' ' LEU . 2.9 mt -67.04 -33.8 76.31 Favored 'General case' 0 C--N 1.389 2.299 0 CA-C-N 114.658 -1.155 . . . . 1.0 112.694 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -63.11 -36.39 83.42 Favored 'General case' 0 C--N 1.377 1.766 0 O-C-N 125.589 1.805 . . . . 1.0 113.126 177.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -78.3 -42.74 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.884 1.274 . . . . 1.0 112.132 178.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.711 ' HA ' HD12 ' A' ' 55' ' ' ILE . 2.1 mt -68.72 -37.4 77.47 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 O-C-N 125.935 2.022 . . . . 1.0 112.456 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.0 m -59.9 -28.48 67.61 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 126.52 2.388 . . . . 1.0 113.856 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.1 mttt -74.25 -34.31 63.58 Favored 'General case' 0 C--N 1.388 2.255 0 O-C-N 124.319 1.012 . . . . 1.0 113.544 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.711 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -86.93 -39.86 13.53 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 O-C-N 125.131 1.52 . . . . 1.0 111.816 -178.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.49 66.36 Favored 'General case' 0 C--N 1.391 2.38 0 O-C-N 125.375 1.672 . . . . 1.0 114.468 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -90.41 -32.16 16.55 Favored 'General case' 0 C--N 1.393 2.488 0 O-C-N 126.683 2.489 . . . . 1.0 112.594 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -74.67 -18.72 60.49 Favored 'General case' 0 N--CA 1.517 2.909 0 O-C-N 127.902 3.251 . . . . 1.0 110.125 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.27 5.24 42.73 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 113.79 -1.55 . . . . 1.0 112.67 176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.46 27.74 73.3 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 114.926 -1.034 . . . . 1.0 114.588 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.3 mtm -116.09 148.71 39.97 Favored 'General case' 0 C--N 1.379 1.867 0 C-N-CA 123.348 0.659 . . . . 1.0 109.377 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.94 129.38 68.69 Favored 'Isoleucine or valine' 0 C--O 1.257 1.485 0 CA-C-N 114.92 -1.036 . . . . 1.0 111.038 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.67 127.45 45.78 Favored 'General case' 0 C--O 1.261 1.696 0 O-C-N 125.248 1.593 . . . . 1.0 110.169 177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.5 129.95 56.44 Favored 'General case' 0 C--O 1.261 1.684 0 O-C-N 124.523 1.139 . . . . 1.0 111.026 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -112.79 135.25 52.81 Favored 'Isoleucine or valine' 0 C--O 1.25 1.114 0 CA-C-N 114.95 -1.023 . . . . 1.0 108.251 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.46 135.14 53.71 Favored Pre-proline 0 C--N 1.379 1.867 0 O-C-N 125.25 1.594 . . . . 1.0 110.799 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -68.24 119.81 6.8 Favored 'Trans proline' 0 C--N 1.411 3.867 0 N-CA-C 117.27 1.988 . . . . 1.0 117.27 -178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . . . -70.4 142.16 52.09 Favored 'General case' 0 C--N 1.369 1.429 0 CA-C-N 111.102 -2.772 . . . . 1.0 109.552 176.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.71 158.65 43.67 Favored 'General case' 0 C--O 1.243 0.728 0 CA-C-N 115.313 -0.858 . . . . 1.0 111.568 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.2 m -85.03 122.02 28.65 Favored 'General case' 0 C--O 1.271 2.213 0 O-C-N 125.919 2.012 . . . . 1.0 107.36 172.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -86.08 -5.23 59.25 Favored 'General case' 0 C--O 1.255 1.381 0 N-CA-C 114.273 1.212 . . . . 1.0 114.273 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -93.71 -46.35 7.28 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 114.158 1.17 . . . . 1.0 114.158 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.4 p -98.35 -18.11 18.49 Favored 'General case' 0 C--O 1.257 1.453 0 O-C-N 125.194 1.559 . . . . 1.0 113.613 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.44 -16.35 60.86 Favored Glycine 0 C--N 1.381 3.037 0 O-C-N 124.156 0.91 . . . . 1.0 113.739 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.99 134.72 37.81 Favored 'General case' 0 C--N 1.399 2.739 0 O-C-N 125.38 1.282 . . . . 1.0 111.779 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -110.04 127.42 66.95 Favored 'Isoleucine or valine' 0 C--O 1.264 1.846 0 O-C-N 125.18 1.55 . . . . 1.0 110.821 -175.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -101.22 149.76 23.67 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 125.235 1.585 . . . . 1.0 111.735 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -65.34 154.98 36.75 Favored 'General case' 0 C--O 1.276 2.448 0 O-C-N 125.165 1.541 . . . . 1.0 110.063 177.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.21 129.02 38.5 Favored 'General case' 0 C--N 1.37 1.47 0 O-C-N 124.367 1.042 . . . . 1.0 110.927 -178.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.93 163.56 28.89 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 114.289 -1.323 . . . . 1.0 111.026 -172.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.3 OUTLIER -104.27 -81.1 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.567 1.612 0 O-C-N 124.719 1.262 . . . . 1.0 108.707 177.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.473 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.4 m120 -62.2 138.94 58.49 Favored 'General case' 0 C--O 1.281 2.753 0 N-CA-C 106.186 -1.783 . . . . 1.0 106.186 172.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.05 147.21 33.04 Favored Pre-proline 0 CA--C 1.569 1.676 0 O-C-N 124.615 1.197 . . . . 1.0 113.172 -175.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -80.31 158.16 22.89 Favored 'Trans proline' 0 C--N 1.397 3.107 0 C-N-CA 121.737 1.625 . . . . 1.0 114.96 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.5 m -98.54 -26.55 14.38 Favored 'General case' 0 C--O 1.248 0.984 0 O-C-N 125.468 1.73 . . . . 1.0 111.613 175.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -143.7 144.45 31.86 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 124.186 0.929 . . . . 1.0 110.149 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.0 m -81.36 143.52 52.02 Favored Pre-proline 0 C--N 1.38 1.933 0 CA-C-N 115.015 -0.993 . . . . 1.0 110.534 176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -74.41 -18.02 20.68 Favored 'Trans proline' 0 C--N 1.4 3.242 0 C-N-CA 122.176 1.917 . . . . 1.0 116.48 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -70.6 0.69 Allowed 'General case' 0 C--N 1.372 1.573 0 O-C-N 124.44 1.088 . . . . 1.0 111.798 -178.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.9 p -127.03 -172.35 2.63 Favored 'General case' 0 C--O 1.256 1.442 0 O-C-N 125.139 1.524 . . . . 1.0 110.1 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.1 mttt -74.67 147.51 41.42 Favored 'General case' 0 C--O 1.279 2.636 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.909 176.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.19 77.24 0.07 Allowed 'General case' 0 C--O 1.273 2.321 0 O-C-N 124.691 1.245 . . . . 1.0 113.31 -174.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -85.17 -17.71 36.33 Favored 'General case' 0 CA--C 1.582 2.208 0 CA-C-N 114.739 -1.118 . . . . 1.0 112.376 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -105.55 92.72 4.31 Favored 'General case' 0 C--O 1.254 1.311 0 O-C-N 125.798 1.936 . . . . 1.0 111.218 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.48 149.05 29.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.44 0 CA-C-N 114.587 -1.188 . . . . 1.0 109.624 -177.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.49 132.79 33.9 Favored 'General case' 0 C--O 1.257 1.499 0 O-C-N 124.226 0.954 . . . . 1.0 110.495 178.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.98 140.07 49.89 Favored Pre-proline 0 C--O 1.255 1.385 0 O-C-N 124.717 1.261 . . . . 1.0 111.279 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.503 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 51.9 Cg_endo -64.64 158.12 51.88 Favored 'Trans proline' 1 C--N 1.416 4.097 0 C-N-CA 121.805 1.67 . . . . 1.0 115.528 178.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.4 mtt180 -109.52 141.46 41.96 Favored 'General case' 0 C--O 1.255 1.371 0 CA-C-N 113.476 -1.693 . . . . 1.0 109.943 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -112.51 129.89 56.19 Favored 'General case' 0 C--O 1.254 1.322 0 O-C-N 125.444 1.715 . . . . 1.0 111.313 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.591 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -139.67 152.86 47.07 Favored 'General case' 0 C--O 1.255 1.345 0 O-C-N 124.482 1.114 . . . . 1.0 110.668 179.855 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.12 125.14 53.62 Favored 'General case' 0 C--O 1.264 1.835 0 O-C-N 124.374 1.046 . . . . 1.0 109.186 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.85 140.16 52.74 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.979 -1.009 . . . . 1.0 110.251 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -84.76 152.37 23.73 Favored 'General case' 0 C--O 1.256 1.419 0 O-C-N 124.759 1.287 . . . . 1.0 110.105 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 19.4 tttt . . . . . 2 N--CA 1.56 5.056 0 C-N-CA 126.54 1.936 . . . . 1.0 110.864 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 118.765 -0.636 . . . . 1.0 112.197 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -114.74 136.16 53.37 Favored 'General case' 0 C--O 1.264 1.82 0 O-C-N 124.634 1.209 . . . . 1.0 110.166 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -112.26 126.15 54.92 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 124.719 1.262 . . . . 1.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -130.49 140.96 50.51 Favored 'General case' 0 C--O 1.265 1.871 0 CA-C-N 114.711 -1.131 . . . . 1.0 110.515 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -110.41 114.51 28.0 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 125.476 1.735 . . . . 1.0 110.197 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -131.67 142.53 49.85 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-N 115.339 -0.846 . . . . 1.0 111.56 -179.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -109.34 132.42 54.14 Favored 'General case' 0 C--O 1.264 1.861 0 O-C-N 124.439 1.087 . . . . 1.0 111.167 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.13 89.25 0.08 OUTLIER Glycine 0 CA--C 1.473 -2.563 0 O-C-N 125.469 1.731 . . . . 1.0 112.814 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -85.16 -24.8 27.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 125.095 1.115 . . . . 1.0 113.698 177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.94 -26.53 54.15 Favored 'General case' 0 C--N 1.381 1.971 0 O-C-N 124.554 1.159 . . . . 1.0 113.807 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.7 p -80.84 -35.43 32.84 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 124.393 1.058 . . . . 1.0 113.251 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -60.92 -38.65 86.51 Favored 'General case' 0 C--N 1.402 2.859 0 O-C-N 126.871 2.607 . . . . 1.0 112.728 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.578 ' HA ' HD12 ' A' ' 16' ' ' ILE . 20.2 mtp180 -70.2 -36.12 74.39 Favored 'General case' 0 C--N 1.391 2.387 0 O-C-N 125.289 1.618 . . . . 1.0 113.254 173.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' O ' HG22 ' A' ' 17' ' ' ILE . 17.3 mt-10 -65.44 -34.82 79.18 Favored 'General case' 0 C--N 1.383 2.05 0 O-C-N 126.642 2.464 . . . . 1.0 112.345 176.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -65.33 -33.77 76.76 Favored 'General case' 0 C--N 1.39 2.359 0 O-C-N 124.622 1.201 . . . . 1.0 113.086 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.578 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.1 mt -67.43 -47.27 81.36 Favored 'Isoleucine or valine' 0 C--N 1.38 1.927 0 O-C-N 124.59 1.181 . . . . 1.0 110.772 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -69.76 -11.46 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.08 0 O-C-N 125.074 1.484 . . . . 1.0 113.796 177.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -97.01 -41.89 8.16 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.206 -1.815 . . . . 1.0 114.038 -173.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.78 -24.65 22.57 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 125.555 1.785 . . . . 1.0 114.151 -179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.569 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -79.64 -9.93 59.71 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 114.648 1.351 . . . . 1.0 114.648 -177.138 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.0 -11.31 50.83 Favored 'General case' 0 C--N 1.415 3.421 0 C-N-CA 124.35 1.06 . . . . 1.0 112.598 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -103.02 -25.26 13.51 Favored 'General case' 0 C--N 1.375 1.709 0 O-C-N 124.553 1.158 . . . . 1.0 113.343 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.8 -170.17 27.26 Favored Glycine 0 CA--C 1.481 -2.063 0 O-C-N 125.05 1.469 . . . . 1.0 111.96 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.646 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.4 p-10 -118.17 131.7 56.38 Favored 'General case' 0 C--O 1.268 2.057 0 C-N-CA 123.018 0.527 . . . . 1.0 110.009 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 40.2 m-85 -138.74 144.83 39.64 Favored 'General case' 0 CA--C 1.465 -2.324 0 O-C-N 124.434 1.084 . . . . 1.0 109.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 159.28 71.99 Favored Pre-proline 0 N--CA 1.434 -1.249 0 CA-C-O 117.499 -1.238 . . . . 1.0 110.256 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.514 ' HB3' HG21 ' A' ' 45' ' ' ILE . 12.2 Cg_endo -49.84 -46.19 28.76 Favored 'Trans proline' 1 C--N 1.425 4.58 0 C-N-CA 123.422 2.748 . . . . 1.0 115.646 177.662 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.7 m -61.0 -32.39 71.97 Favored 'General case' 0 C--N 1.406 3.023 0 O-C-N 125.265 1.603 . . . . 1.0 113.042 174.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.472 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 1.8 mt-10 -73.61 -36.25 65.45 Favored 'General case' 0 C--N 1.406 3.037 0 O-C-N 125.685 1.865 . . . . 1.0 112.718 175.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.98 -2.87 16.76 Favored 'General case' 0 C--N 1.406 3.043 0 O-C-N 125.661 1.851 . . . . 1.0 111.764 172.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -101.29 -30.18 11.65 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-N 113.431 -1.713 . . . . 1.0 110.363 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -65.1 -46.52 80.74 Favored 'General case' 0 C--N 1.398 2.69 0 C-N-CA 124.31 1.044 . . . . 1.0 111.568 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.7 OUTLIER -83.01 80.26 1.47 Allowed 'Isoleucine or valine' 0 C--O 1.291 3.239 0 C-N-CA 124.669 1.188 . . . . 1.0 108.1 175.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER 162.33 -172.38 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 118.415 0.552 . . . . 1.0 109.609 -176.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.5 m-20 -110.24 133.63 53.05 Favored 'General case' 0 C--O 1.273 2.335 0 CA-C-N 114.594 -1.185 . . . . 1.0 108.43 174.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.7 mtm -105.59 127.91 53.31 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 124.122 0.889 . . . . 1.0 111.687 -178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.62 -29.59 3.72 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.813 -1.085 . . . . 1.0 112.163 -179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.69 -170.74 21.86 Favored Glycine 0 C--N 1.369 2.394 0 O-C-N 125.334 1.646 . . . . 1.0 113.109 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 67.2 mttt -107.24 -30.02 8.98 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 125.164 1.155 . . . . 1.0 113.492 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.26 122.91 7.41 Favored Glycine 0 C--N 1.372 2.566 0 O-C-N 124.999 1.437 . . . . 1.0 112.592 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.76 -19.72 4.44 Favored 'General case' 0 C--O 1.258 1.514 0 O-C-N 125.273 1.219 . . . . 1.0 112.6 -179.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 46' ' ' LEU . 74.5 mttt -70.02 -48.93 56.06 Favored 'General case' 0 C--N 1.377 1.772 0 N-CA-C 114.319 1.229 . . . . 1.0 114.319 -178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -74.93 -33.13 61.93 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 125.256 1.597 . . . . 1.0 113.463 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -68.55 -43.79 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 125.298 1.624 . . . . 1.0 111.051 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -73.55 -24.82 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.137 0 O-C-N 126.539 2.399 . . . . 1.0 112.639 176.694 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -71.22 -38.76 72.0 Favored 'General case' 0 C--N 1.362 1.127 0 O-C-N 126.054 2.096 . . . . 1.0 112.234 -178.639 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -75.52 -27.12 58.59 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 126.97 2.669 . . . . 1.0 111.829 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.462 ' O ' HD12 ' A' ' 52' ' ' ILE . 1.8 m-20 -66.07 -32.43 73.89 Favored 'General case' 0 C--N 1.393 2.483 0 O-C-N 124.98 1.425 . . . . 1.0 112.078 173.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.0 mt -67.45 -34.13 76.57 Favored 'General case' 0 C--N 1.391 2.406 0 CA-C-N 114.652 -1.158 . . . . 1.0 112.743 174.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -63.92 -37.95 89.28 Favored 'General case' 0 C--N 1.376 1.729 0 O-C-N 125.334 1.646 . . . . 1.0 113.073 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.41 -44.73 26.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.148 0 CA-C-N 114.499 -1.228 . . . . 1.0 111.662 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.729 ' HA ' HD12 ' A' ' 55' ' ' ILE . 1.7 mt -64.72 -39.91 87.27 Favored 'Isoleucine or valine' 0 C--N 1.367 1.353 0 O-C-N 126.533 2.396 . . . . 1.0 112.44 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 36.5 m -58.85 -29.55 67.04 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 127.068 2.73 . . . . 1.0 113.421 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -72.58 -33.8 66.99 Favored 'General case' 0 C--N 1.398 2.694 0 O-C-N 124.809 1.318 . . . . 1.0 113.351 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.6 OUTLIER -86.14 -39.41 13.54 Favored 'Isoleucine or valine' 0 C--N 1.359 0.988 0 O-C-N 125.129 1.518 . . . . 1.0 111.344 -179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.98 -25.43 65.23 Favored 'General case' 0 C--N 1.394 2.51 0 O-C-N 125.45 1.718 . . . . 1.0 114.212 178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 62.0 mttt -87.67 -35.16 18.15 Favored 'General case' 0 C--N 1.387 2.199 0 O-C-N 125.99 2.056 . . . . 1.0 113.023 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -71.27 -20.3 62.24 Favored 'General case' 0 N--CA 1.516 2.836 0 O-C-N 127.693 3.12 . . . . 1.0 110.428 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.05 5.92 44.59 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 113.718 -1.583 . . . . 1.0 113.075 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.56 31.32 79.39 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 114.966 -1.015 . . . . 1.0 115.025 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -114.8 147.91 39.16 Favored 'General case' 0 C--N 1.377 1.799 0 C-N-CA 123.404 0.681 . . . . 1.0 109.313 -178.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.49 124.68 70.37 Favored 'Isoleucine or valine' 0 C--O 1.258 1.529 0 CA-C-N 114.738 -1.119 . . . . 1.0 111.353 -177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.94 124.74 48.09 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 125.358 1.661 . . . . 1.0 110.05 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.62 130.92 54.29 Favored 'General case' 0 C--O 1.262 1.711 0 O-C-N 124.98 1.425 . . . . 1.0 111.246 179.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.93 132.39 63.09 Favored 'Isoleucine or valine' 0 C--O 1.25 1.131 0 O-C-N 124.751 1.282 . . . . 1.0 108.127 -178.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -80.18 134.33 55.92 Favored Pre-proline 0 C--N 1.38 1.906 0 O-C-N 125.732 1.895 . . . . 1.0 110.8 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -67.94 124.54 11.96 Favored 'Trans proline' 0 C--N 1.412 3.892 0 N-CA-C 117.308 2.003 . . . . 1.0 117.308 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.2 140.68 54.6 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.087 -2.778 . . . . 1.0 109.972 176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -139.25 159.64 41.69 Favored 'General case' 0 C--O 1.244 0.792 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.357 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 5.6 t -88.71 123.57 33.27 Favored 'General case' 0 C--O 1.273 2.339 0 O-C-N 125.988 2.055 . . . . 1.0 107.116 172.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -89.67 -6.2 56.37 Favored 'General case' 0 C--O 1.26 1.638 0 N-CA-C 114.853 1.427 . . . . 1.0 114.853 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -93.25 -46.57 7.33 Favored 'General case' 0 C--N 1.361 1.09 0 N-CA-C 114.007 1.114 . . . . 1.0 114.007 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -96.3 -20.1 18.77 Favored 'General case' 0 C--O 1.255 1.376 0 O-C-N 125.598 1.811 . . . . 1.0 113.28 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 94.78 -17.67 58.74 Favored Glycine 0 C--N 1.387 3.373 0 O-C-N 124.543 1.152 . . . . 1.0 113.622 -177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -54.81 134.59 48.01 Favored 'General case' 0 C--N 1.404 2.94 0 O-C-N 125.424 1.308 . . . . 1.0 111.815 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.84 127.94 62.0 Favored 'Isoleucine or valine' 0 C--O 1.265 1.889 0 O-C-N 125.726 1.891 . . . . 1.0 111.376 -175.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -99.54 151.6 20.97 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 125.405 1.69 . . . . 1.0 111.494 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -64.18 149.17 48.38 Favored 'General case' 0 C--O 1.275 2.44 0 O-C-N 124.956 1.41 . . . . 1.0 109.946 177.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.73 127.28 30.69 Favored 'General case' 0 C--N 1.377 1.769 0 O-C-N 124.711 1.257 . . . . 1.0 110.636 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -137.42 169.15 18.28 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-N 114.403 -1.272 . . . . 1.0 110.675 -172.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.479 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -102.59 -81.04 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.57 1.719 0 CA-C-N 112.924 -1.943 . . . . 1.0 109.395 179.345 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.428 ' H ' HD12 ' A' ' 81' ' ' ILE . 19.4 m-80 -61.59 147.04 46.95 Favored 'General case' 0 C--O 1.28 2.666 0 O-C-N 125.378 1.674 . . . . 1.0 107.361 174.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.3 mt -105.33 135.71 19.3 Favored Pre-proline 0 CA--C 1.545 0.787 0 O-C-N 124.677 1.236 . . . . 1.0 110.335 -175.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -74.69 152.34 42.29 Favored 'Trans proline' 1 C--N 1.417 4.165 0 C-N-CA 122.061 1.841 . . . . 1.0 114.267 172.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m -85.56 -25.09 26.95 Favored 'General case' 0 C--O 1.246 0.871 0 O-C-N 125.367 1.667 . . . . 1.0 112.022 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -143.36 143.81 31.81 Favored 'General case' 0 C--N 1.378 1.844 0 O-C-N 124.313 1.008 . . . . 1.0 110.184 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.8 141.44 44.29 Favored Pre-proline 0 C--N 1.384 2.084 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.261 175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.41 -12.73 27.54 Favored 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 116.991 1.881 . . . . 1.0 116.991 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -94.52 -72.58 0.61 Allowed 'General case' 0 C--N 1.373 1.608 0 O-C-N 124.773 1.295 . . . . 1.0 113.537 -176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.6 p -133.46 -104.45 0.24 Allowed 'General case' 0 N--CA 1.424 -1.727 0 O-C-N 125.267 1.604 . . . . 1.0 113.24 -173.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -82.81 163.11 21.41 Favored 'General case' 0 C--N 1.372 1.567 0 O-C-N 126.045 2.09 . . . . 1.0 112.522 -173.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -163.67 80.98 0.44 Allowed 'General case' 0 C--O 1.274 2.36 0 CA-C-O 122.641 1.21 . . . . 1.0 112.321 -175.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -146.06 -53.36 0.26 Allowed 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 114.754 -1.112 . . . . 1.0 110.59 176.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 80.3 m95 -102.74 94.66 5.73 Favored 'General case' 0 C--O 1.252 1.193 0 O-C-N 125.772 1.92 . . . . 1.0 112.664 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.32 147.27 30.03 Favored 'Isoleucine or valine' 0 C--O 1.257 1.497 0 CA-C-N 114.241 -1.345 . . . . 1.0 109.458 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.11 131.73 35.81 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 124.935 1.397 . . . . 1.0 110.648 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -83.29 143.22 44.65 Favored Pre-proline 0 C--N 1.369 1.425 0 O-C-N 124.901 1.375 . . . . 1.0 110.655 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -65.95 157.78 57.5 Favored 'Trans proline' 1 C--N 1.415 4.031 0 C-N-CA 122.594 2.196 . . . . 1.0 115.754 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -109.35 137.86 46.58 Favored 'General case' 0 C--O 1.263 1.791 0 CA-C-N 113.657 -1.61 . . . . 1.0 109.858 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -114.42 126.29 54.8 Favored 'General case' 0 C--O 1.257 1.476 0 O-C-N 125.014 1.446 . . . . 1.0 110.795 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.646 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -141.28 154.69 45.87 Favored 'General case' 0 C--O 1.256 1.413 0 O-C-N 124.609 1.193 . . . . 1.0 110.878 -179.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.99 128.86 55.2 Favored 'General case' 0 C--O 1.265 1.907 0 O-C-N 124.353 1.033 . . . . 1.0 109.72 178.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -119.57 136.87 54.17 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 114.936 -1.029 . . . . 1.0 109.684 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -77.64 147.11 35.74 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 124.486 1.116 . . . . 1.0 110.054 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.6 mttt . . . . . 2 N--CA 1.559 4.999 0 C-N-CA 126.508 1.923 . . . . 1.0 111.195 176.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 119.143 -0.456 . . . . 1.0 112.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -107.97 -32.05 7.72 Favored 'General case' 0 C--N 1.365 1.253 0 O-C-N 124.255 0.972 . . . . 1.0 112.653 178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -112.8 135.16 53.86 Favored 'General case' 0 C--O 1.26 1.625 0 O-C-N 125.049 1.468 . . . . 1.0 111.071 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -114.9 143.82 44.54 Favored 'General case' 0 C--O 1.255 1.382 0 O-C-N 124.717 1.261 . . . . 1.0 110.81 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -101.11 129.84 47.06 Favored 'General case' 0 C--O 1.257 1.482 0 O-C-N 124.541 1.151 . . . . 1.0 110.668 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -115.28 146.88 41.06 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 124.42 1.075 . . . . 1.0 111.324 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -96.17 130.15 43.3 Favored 'General case' 0 C--O 1.259 1.575 0 O-C-N 124.105 0.878 . . . . 1.0 111.236 179.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 170.38 159.81 17.22 Favored Glycine 0 CA--C 1.486 -1.731 0 O-C-N 125.065 1.478 . . . . 1.0 112.535 -179.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -85.05 -24.1 28.28 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.578 0.955 . . . . 1.0 113.578 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.49 -25.62 54.44 Favored 'General case' 0 C--N 1.376 1.751 0 O-C-N 124.364 1.04 . . . . 1.0 113.749 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.1 p -81.19 -37.82 28.07 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 124.199 0.937 . . . . 1.0 113.176 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -62.74 -38.3 89.98 Favored 'General case' 0 C--N 1.392 2.454 0 O-C-N 126.937 2.648 . . . . 1.0 112.474 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.746 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.5 mtp180 -70.48 -36.76 74.04 Favored 'General case' 0 C--N 1.386 2.176 0 O-C-N 124.847 1.342 . . . . 1.0 112.588 174.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HA ' HD11 ' A' ' 17' ' ' ILE . 15.2 mt-10 -65.39 -34.5 78.45 Favored 'General case' 0 C--N 1.379 1.852 0 O-C-N 126.285 2.241 . . . . 1.0 112.176 176.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.3 mttt -67.36 -30.83 70.73 Favored 'General case' 0 C--N 1.381 1.965 0 O-C-N 124.437 1.085 . . . . 1.0 112.979 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.9 mt -66.53 -48.29 80.96 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 O-C-N 124.312 1.007 . . . . 1.0 111.432 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.8 OUTLIER -77.04 -1.01 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.829 0 O-C-N 124.822 1.326 . . . . 1.0 113.736 -179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -102.47 -42.98 5.78 Favored 'General case' 0 C--N 1.375 1.684 0 CA-C-N 114.223 -1.353 . . . . 1.0 113.398 -176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -88.97 -25.93 21.77 Favored 'General case' 0 C--N 1.364 1.215 0 O-C-N 124.917 1.386 . . . . 1.0 113.443 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -78.51 -9.56 59.38 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 113.814 1.042 . . . . 1.0 113.814 -177.636 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -11.64 48.24 Favored 'General case' 0 C--N 1.41 3.225 0 C-N-CA 124.368 1.067 . . . . 1.0 112.161 178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -104.08 -26.14 12.7 Favored 'General case' 0 C--N 1.374 1.665 0 O-C-N 124.415 1.072 . . . . 1.0 113.104 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.24 -165.06 17.29 Favored Glycine 0 CA--C 1.487 -1.714 0 O-C-N 124.763 1.289 . . . . 1.0 112.074 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.73 133.73 55.32 Favored 'General case' 0 C--O 1.266 1.949 0 CA-C-N 115.372 -0.414 . . . . 1.0 110.234 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.44 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 33.5 m-85 -140.96 143.02 34.29 Favored 'General case' 0 CA--C 1.472 -2.049 0 O-C-N 124.145 0.903 . . . . 1.0 109.576 178.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.44 159.85 76.45 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-O 117.827 -1.082 . . . . 1.0 110.597 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.624 ' HB3' HG21 ' A' ' 45' ' ' ILE . 13.9 Cg_endo -50.95 -45.5 35.96 Favored 'Trans proline' 1 C--N 1.419 4.239 0 C-N-CA 123.149 2.566 . . . . 1.0 115.71 177.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.1 m -61.54 -31.37 71.39 Favored 'General case' 0 C--N 1.395 2.575 0 O-C-N 125.063 1.477 . . . . 1.0 112.737 174.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.44 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -74.53 -36.81 63.16 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 125.258 1.599 . . . . 1.0 112.648 176.19 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.93 -1.78 13.0 Favored 'General case' 0 C--N 1.402 2.849 0 O-C-N 125.04 1.462 . . . . 1.0 111.699 172.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -103.36 -29.01 11.49 Favored 'General case' 0 C--N 1.387 2.228 0 CA-C-N 113.811 -1.541 . . . . 1.0 110.438 175.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -64.74 -45.1 87.88 Favored 'General case' 0 C--N 1.391 2.373 0 O-C-N 124.419 1.074 . . . . 1.0 111.198 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 33' ' ' ILE . 0.8 OUTLIER -83.52 84.67 1.9 Allowed 'Isoleucine or valine' 0 C--O 1.279 2.613 0 C-N-CA 124.543 1.137 . . . . 1.0 108.926 174.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD23 ' HB2' ' A' ' 36' ' ' MET . 0.2 OUTLIER -166.9 -22.31 0.02 OUTLIER 'General case' 0 CA--C 1.444 -3.129 0 N-CA-C 112.798 0.666 . . . . 1.0 112.798 -177.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.26 29.23 18.75 Favored 'General case' 0 C--N 1.409 3.174 0 C-N-CA 124.577 1.151 . . . . 1.0 111.814 -175.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.524 ' HB2' HD23 ' A' ' 34' ' ' LEU . 16.1 mtm -130.03 142.39 50.63 Favored 'General case' 0 C--N 1.378 1.807 0 CA-C-N 115.111 -0.95 . . . . 1.0 110.919 -176.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -110.98 134.39 52.63 Favored 'General case' 0 C--O 1.259 1.574 0 O-C-N 124.506 1.128 . . . . 1.0 110.063 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 170.34 165.13 27.21 Favored Glycine 0 C--O 1.259 1.712 0 O-C-N 124.716 1.26 . . . . 1.0 112.724 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.9 mttt -108.93 131.57 54.9 Favored 'General case' 0 C--O 1.259 1.561 0 O-C-N 124.817 0.951 . . . . 1.0 110.753 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.48 86.74 1.91 Allowed Glycine 0 C--N 1.357 1.744 0 O-C-N 124.287 0.992 . . . . 1.0 112.673 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.8 p -136.15 -19.69 1.48 Allowed 'General case' 0 N--CA 1.486 1.367 0 O-C-N 124.845 0.968 . . . . 1.0 112.737 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' HG22 ' A' ' 45' ' ' ILE . 64.1 mttt -71.04 -54.05 12.54 Favored 'General case' 0 C--N 1.373 1.603 0 N-CA-C 114.187 1.18 . . . . 1.0 114.187 -176.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 46' ' ' LEU . 49.2 mttt -75.09 -32.29 61.42 Favored 'General case' 0 C--N 1.368 1.389 0 O-C-N 125.038 1.462 . . . . 1.0 113.809 -179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -38.27 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 125.5 1.75 . . . . 1.0 112.223 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.624 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.48 -25.0 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.579 2.091 0 O-C-N 125.615 1.822 . . . . 1.0 112.937 176.41 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.478 ' HA ' HD12 ' A' ' 49' ' ' LEU . 22.0 mt -72.86 -37.26 67.45 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 126.155 2.159 . . . . 1.0 112.63 -178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -76.55 -27.78 56.05 Favored 'General case' 0 C--N 1.372 1.561 0 O-C-N 126.307 2.255 . . . . 1.0 111.316 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.533 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.9 m-20 -67.12 -30.81 70.91 Favored 'General case' 0 C--N 1.388 2.273 0 O-C-N 124.585 1.178 . . . . 1.0 112.101 173.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 46' ' ' LEU . 2.7 mt -67.45 -33.47 75.21 Favored 'General case' 0 C--N 1.385 2.114 0 CA-C-N 114.759 -1.11 . . . . 1.0 112.699 174.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -64.2 -36.52 84.35 Favored 'General case' 0 C--N 1.372 1.57 0 O-C-N 125.328 1.643 . . . . 1.0 113.002 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.2 t -76.15 -44.3 37.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 124.508 1.123 . . . . 1.0 111.439 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.533 HG12 ' O ' ' A' ' 48' ' ' ASP . 30.6 mm -70.72 -33.44 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 O-C-N 125.539 1.774 . . . . 1.0 113.394 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.5 m -61.73 -30.53 70.83 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 127.348 2.905 . . . . 1.0 113.507 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -72.65 -33.21 66.43 Favored 'General case' 0 C--N 1.387 2.216 0 O-C-N 124.785 1.303 . . . . 1.0 113.145 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.517 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.31 -39.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 124.835 1.334 . . . . 1.0 111.49 -179.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.97 -24.19 64.21 Favored 'General case' 0 C--N 1.388 2.258 0 O-C-N 125.238 1.586 . . . . 1.0 114.086 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -89.56 -34.51 16.33 Favored 'General case' 0 C--N 1.379 1.873 0 O-C-N 125.879 1.987 . . . . 1.0 112.953 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -72.32 -19.25 61.69 Favored 'General case' 0 N--CA 1.515 2.79 0 O-C-N 127.343 2.902 . . . . 1.0 110.378 170.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -90.62 5.85 46.26 Favored 'General case' 0 C--N 1.382 2.017 0 CA-C-N 114.05 -1.432 . . . . 1.0 112.78 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.93 31.32 80.13 Favored Glycine 0 C--N 1.385 3.294 0 CA-C-N 115.044 -0.98 . . . . 1.0 114.684 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -115.3 148.85 38.71 Favored 'General case' 0 C--N 1.373 1.626 0 C-N-CA 123.274 0.63 . . . . 1.0 109.534 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.26 125.0 72.39 Favored 'Isoleucine or valine' 0 C--O 1.256 1.402 0 CA-C-N 114.869 -1.059 . . . . 1.0 111.205 -177.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -99.62 126.39 45.61 Favored 'General case' 0 C--O 1.259 1.598 0 O-C-N 125.069 1.481 . . . . 1.0 110.389 176.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.21 129.75 55.86 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 124.454 1.096 . . . . 1.0 111.06 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 134.62 53.25 Favored 'Isoleucine or valine' 0 C--O 1.248 0.998 0 O-C-N 124.51 1.131 . . . . 1.0 108.643 -179.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -78.64 133.64 62.55 Favored Pre-proline 0 C--O 1.259 1.594 0 O-C-N 125.285 1.616 . . . . 1.0 110.609 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.5 122.84 10.35 Favored 'Trans proline' 0 C--N 1.41 3.815 0 N-CA-C 117.065 1.91 . . . . 1.0 117.065 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.784 ' HB2' ' HG3' ' A' ' 98' ' ' PRO . . . -69.15 141.09 54.68 Favored 'General case' 0 C--O 1.249 1.075 0 CA-C-N 111.552 -2.567 . . . . 1.0 110.187 176.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -138.97 157.88 45.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.268 -0.878 . . . . 1.0 111.461 -174.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 50.4 m -88.95 123.61 33.46 Favored 'General case' 0 C--O 1.269 2.118 0 O-C-N 125.229 1.58 . . . . 1.0 107.584 173.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.9 mtt180 -84.41 -10.62 57.38 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 114.923 1.453 . . . . 1.0 114.923 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.534 ' HD2' ' HB2' ' A' ' 94' ' ' TRP . 28.7 mttt -93.18 -47.6 6.87 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 114.337 1.236 . . . . 1.0 114.337 -177.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.3 p -96.52 -19.02 19.41 Favored 'General case' 0 C--O 1.254 1.297 0 O-C-N 124.903 1.377 . . . . 1.0 113.327 -178.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 93.63 -16.23 61.21 Favored Glycine 0 C--N 1.381 3.028 0 O-C-N 124.132 0.895 . . . . 1.0 113.849 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -53.79 133.47 42.38 Favored 'General case' 0 C--N 1.394 2.543 0 O-C-N 125.408 1.299 . . . . 1.0 111.864 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.16 128.09 63.89 Favored 'Isoleucine or valine' 0 C--O 1.259 1.581 0 O-C-N 125.492 1.745 . . . . 1.0 111.136 -174.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -100.23 149.54 23.46 Favored 'General case' 0 C--O 1.249 1.059 0 O-C-N 125.155 1.534 . . . . 1.0 111.837 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 148.48 51.82 Favored 'General case' 0 C--O 1.266 1.952 0 O-C-N 125.008 1.443 . . . . 1.0 110.284 177.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.57 120.54 14.16 Favored 'General case' 0 C--O 1.255 1.383 0 O-C-N 124.255 0.972 . . . . 1.0 111.198 -177.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -126.39 177.61 6.35 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 113.942 -1.481 . . . . 1.0 110.533 -175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.562 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -103.14 -83.59 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 CA-C-N 113.857 -1.519 . . . . 1.0 109.531 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.562 ' H ' HD12 ' A' ' 81' ' ' ILE . 3.8 m120 -59.58 142.28 53.09 Favored 'General case' 0 C--O 1.273 2.324 0 O-C-N 125.567 1.792 . . . . 1.0 107.44 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.85 140.27 21.83 Favored Pre-proline 0 CA--C 1.576 1.962 0 O-C-N 124.568 1.167 . . . . 1.0 112.959 -175.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -80.46 151.95 20.14 Favored 'Trans proline' 0 C--N 1.383 2.37 0 C-N-CA 121.224 1.283 . . . . 1.0 114.956 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.6 m -86.42 -17.77 33.49 Favored 'General case' 0 C--O 1.243 0.756 0 O-C-N 125.023 1.452 . . . . 1.0 111.014 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -149.4 146.26 27.38 Favored 'General case' 0 C--O 1.261 1.674 0 C-N-CA 124.213 1.005 . . . . 1.0 110.193 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 66.3 m -75.14 126.6 87.82 Favored Pre-proline 0 C--N 1.369 1.424 0 O-C-N 124.603 1.189 . . . . 1.0 110.048 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -66.77 -20.15 52.55 Favored 'Trans proline' 0 C--N 1.411 3.817 0 N-CA-C 117.247 1.979 . . . . 1.0 117.247 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.7 -62.22 1.27 Allowed 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.734 1.271 . . . . 1.0 112.84 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.458 ' O ' ' O ' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -97.34 -20.11 18.06 Favored 'General case' 0 CA--C 1.439 -3.305 0 N-CA-C 113.884 1.068 . . . . 1.0 113.884 -174.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' O ' ' O ' ' A' ' 90' ' ' CYS . 13.2 tttt 42.7 150.24 0.0 OUTLIER 'General case' 0 C--N 1.416 3.483 0 C-N-CA 124.286 1.035 . . . . 1.0 110.414 -173.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.488 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 0.1 OUTLIER 173.55 -135.61 0.0 OUTLIER 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 114.613 -1.176 . . . . 1.0 110.786 175.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.488 ' H ' ' HB3' ' A' ' 92' ' ' SER . 7.5 mt-10 -142.86 -36.17 0.39 Allowed 'General case' 0 C--N 1.36 1.039 0 O-C-N 124.959 1.412 . . . . 1.0 113.508 -170.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.534 ' HB2' ' HD2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -93.94 93.93 8.18 Favored 'General case' 0 C--O 1.256 1.397 0 O-C-N 126.353 2.283 . . . . 1.0 113.961 -176.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.69 139.96 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 CA-C-N 114.446 -1.252 . . . . 1.0 108.009 179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.3 134.92 35.01 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 125.793 1.933 . . . . 1.0 109.759 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.63 146.19 60.17 Favored Pre-proline 0 C--N 1.368 1.397 0 O-C-N 123.991 0.807 . . . . 1.0 111.846 -179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.784 ' HG3' ' HB2' ' A' ' 68' ' ' ALA . 23.1 Cg_exo -72.0 162.72 40.99 Favored 'Trans proline' 0 C--N 1.409 3.753 0 C-N-CA 122.209 1.939 . . . . 1.0 115.493 178.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.8 mtt180 -112.83 138.86 49.04 Favored 'General case' 0 C--O 1.258 1.55 0 CA-C-N 113.757 -1.565 . . . . 1.0 109.638 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -112.82 128.03 56.33 Favored 'General case' 0 C--O 1.254 1.328 0 O-C-N 124.961 1.413 . . . . 1.0 111.399 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -137.82 150.02 46.84 Favored 'General case' 0 C--O 1.251 1.171 0 O-C-N 124.484 1.115 . . . . 1.0 110.806 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.61 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -120.73 131.35 54.48 Favored 'General case' 0 C--O 1.263 1.786 0 O-C-N 123.853 0.721 . . . . 1.0 109.865 178.228 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -119.09 134.08 55.41 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 115.184 -0.916 . . . . 1.0 109.963 178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -101.52 120.53 40.45 Favored 'General case' 0 C--O 1.256 1.417 0 O-C-N 124.984 1.428 . . . . 1.0 111.052 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 49.6 mttt . . . . . 2 N--CA 1.56 5.045 0 C-N-CA 126.815 2.046 . . . . 1.0 111.956 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.262 1.73 0 CA-C-O 120.679 0.276 . . . . 1.0 110.388 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -107.63 -39.55 5.57 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-N 115.772 -0.649 . . . . 1.0 112.408 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -119.74 118.26 30.41 Favored 'General case' 0 C--O 1.262 1.761 0 O-C-N 125.303 1.627 . . . . 1.0 110.447 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.76 131.33 42.89 Favored 'General case' 0 C--O 1.259 1.555 0 CA-C-N 115.046 -0.979 . . . . 1.0 110.96 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -123.02 133.02 54.36 Favored 'General case' 0 CA--C 1.46 -2.488 0 CA-C-N 114.991 -1.004 . . . . 1.0 108.687 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 m80 63.44 119.71 0.02 OUTLIER 'General case' 0 N--CA 1.534 3.751 0 C-N-CA 124.381 1.072 . . . . 1.0 111.823 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -114.21 132.23 56.19 Favored 'General case' 0 C--O 1.261 1.71 0 CA-C-N 115.775 -0.648 . . . . 1.0 110.853 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 145.71 -71.79 0.35 Allowed Glycine 0 CA--C 1.475 -2.426 0 O-C-N 125.317 1.636 . . . . 1.0 114.285 178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.11 -32.01 26.94 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.174 1.176 . . . . 1.0 114.174 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.06 -31.75 56.35 Favored 'General case' 0 C--N 1.372 1.574 0 O-C-N 125.002 1.439 . . . . 1.0 113.932 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.5 p -84.77 -26.73 27.38 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 114.391 1.256 . . . . 1.0 114.391 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -45.9 65.77 Favored 'General case' 0 C--N 1.403 2.915 0 O-C-N 125.652 1.845 . . . . 1.0 114.157 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HA ' HD12 ' A' ' 16' ' ' ILE . 67.1 mtt180 -67.08 -40.4 86.99 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 114.3 -1.318 . . . . 1.0 114.297 179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.5 -37.93 86.14 Favored 'General case' 0 C--N 1.376 1.726 0 O-C-N 126.277 2.236 . . . . 1.0 112.07 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -66.66 -30.01 70.17 Favored 'General case' 0 C--N 1.385 2.123 0 O-C-N 124.562 1.164 . . . . 1.0 113.393 177.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 13' ' ' ARG . 9.3 mt -65.71 -48.85 80.91 Favored 'Isoleucine or valine' 0 C--N 1.371 1.513 0 O-C-N 124.191 0.932 . . . . 1.0 111.445 177.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.448 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -77.44 -2.64 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.648 0 O-C-N 124.79 1.306 . . . . 1.0 113.92 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -102.04 -42.82 5.96 Favored 'General case' 0 C--N 1.377 1.801 0 CA-C-N 114.274 -1.33 . . . . 1.0 113.771 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.53 -22.43 24.86 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 125.097 1.498 . . . . 1.0 113.725 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -81.92 -9.88 59.45 Favored 'General case' 0 C--O 1.264 1.827 0 N-CA-C 114.655 1.354 . . . . 1.0 114.655 -176.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -87.75 -11.37 48.34 Favored 'General case' 0 C--N 1.407 3.081 0 C-N-CA 124.084 0.954 . . . . 1.0 112.65 -179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -102.98 -26.84 12.94 Favored 'General case' 0 C--N 1.371 1.513 0 O-C-N 124.173 0.921 . . . . 1.0 113.066 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.39 -170.02 24.44 Favored Glycine 0 C--O 1.26 1.723 0 O-C-N 125.067 1.48 . . . . 1.0 112.311 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -119.58 132.73 55.79 Favored 'General case' 0 C--O 1.266 1.929 0 CA-C-O 121.478 0.656 . . . . 1.0 109.578 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.558 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 37.9 m-85 -139.19 145.91 39.9 Favored 'General case' 0 CA--C 1.473 -2.01 0 CA-C-N 115.021 -0.991 . . . . 1.0 110.388 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -76.87 157.63 81.47 Favored Pre-proline 0 C--O 1.257 1.455 0 O-C-N 124.498 1.124 . . . . 1.0 110.035 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HB3' HG21 ' A' ' 45' ' ' ILE . 86.1 Cg_exo -52.28 -42.24 61.39 Favored 'Trans proline' 1 C--N 1.425 4.568 0 C-N-CA 122.726 2.284 . . . . 1.0 115.629 178.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.8 m -66.44 -29.32 69.44 Favored 'General case' 0 C--N 1.386 2.187 0 O-C-N 124.233 0.958 . . . . 1.0 113.403 173.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.558 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 13.2 mt-10 -75.13 -36.9 61.57 Favored 'General case' 0 C--N 1.391 2.382 0 O-C-N 125.059 1.474 . . . . 1.0 113.036 178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD11 HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -65.84 -65.79 0.63 Allowed 'General case' 0 C--N 1.372 1.566 0 O-C-N 126.882 2.614 . . . . 1.0 108.751 178.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.572 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -48.61 -21.56 0.61 Allowed 'General case' 0 C--N 1.381 1.971 0 C-N-CA 124.998 1.319 . . . . 1.0 114.154 175.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.24 -43.47 70.51 Favored 'General case' 0 C--N 1.418 3.565 0 C-N-CA 124.618 1.167 . . . . 1.0 111.776 173.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 33' ' ' ILE . 1.1 tt -84.06 85.51 2.06 Favored 'Isoleucine or valine' 0 C--O 1.282 2.768 0 O-C-N 124.911 1.382 . . . . 1.0 107.562 173.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.572 HD13 ' HA ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -170.4 173.71 5.52 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-O 121.179 0.514 . . . . 1.0 111.004 -174.631 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -94.69 -2.17 51.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 114.004 -1.453 . . . . 1.0 111.733 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.5 mtm -103.68 159.26 15.76 Favored 'General case' 0 C--O 1.26 1.615 0 CA-C-N 115.624 -0.717 . . . . 1.0 110.88 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.9 mtt180 -71.48 -47.4 55.79 Favored 'General case' 0 CA--C 1.565 1.54 0 CA-C-O 118.481 -0.771 . . . . 1.0 112.199 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.82 80.97 1.44 Allowed Glycine 0 C--N 1.366 2.228 0 O-C-N 125.832 1.957 . . . . 1.0 113.74 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 tttt -112.07 74.72 0.88 Allowed 'General case' 0 C--O 1.263 1.798 0 O-C-N 125.762 1.507 . . . . 1.0 109.387 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.42 93.92 1.82 Allowed Glycine 0 C--N 1.367 2.25 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.5 m -133.19 -16.8 2.42 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 125.058 1.093 . . . . 1.0 112.957 -176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.448 ' O ' HG22 ' A' ' 45' ' ' ILE . 8.3 mttp -68.48 -60.64 2.29 Favored 'General case' 0 C--N 1.373 1.623 0 N-CA-C 113.943 1.09 . . . . 1.0 113.943 -176.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.722 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.6 mttm -76.02 -28.46 57.75 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 125.741 1.901 . . . . 1.0 113.109 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.09 -38.48 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 125.482 1.739 . . . . 1.0 111.411 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER -74.01 -23.2 18.67 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.205 0 O-C-N 126.836 2.585 . . . . 1.0 112.668 177.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.722 HD12 ' HA ' ' A' ' 43' ' ' LYS . 33.9 mt -74.29 -36.1 63.74 Favored 'General case' 0 C--N 1.342 0.251 0 O-C-N 126.126 2.141 . . . . 1.0 112.427 -179.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -76.94 -27.85 55.01 Favored 'General case' 0 C--N 1.374 1.639 0 O-C-N 126.498 2.374 . . . . 1.0 111.309 176.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.527 ' O ' HG12 ' A' ' 52' ' ' ILE . 1.0 OUTLIER -65.85 -30.64 71.28 Favored 'General case' 0 C--N 1.397 2.661 0 O-C-N 124.535 1.147 . . . . 1.0 111.834 174.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.18 -33.82 76.62 Favored 'General case' 0 C--N 1.377 1.778 0 N-CA-C 115.569 1.692 . . . . 1.0 115.569 173.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -62.62 -37.54 86.7 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 126.768 2.542 . . . . 1.0 113.623 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.505 HG21 ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -78.34 -42.69 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 125.195 1.398 . . . . 1.0 113.044 179.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.75 ' HA ' HD12 ' A' ' 55' ' ' ILE . 29.3 mm -71.7 -32.63 45.93 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 O-C-N 124.75 1.281 . . . . 1.0 113.62 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.28 -30.45 71.14 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 127.538 3.023 . . . . 1.0 113.083 177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.23 -32.78 64.94 Favored 'General case' 0 C--N 1.384 2.098 0 O-C-N 124.938 1.399 . . . . 1.0 113.195 179.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.7 OUTLIER -86.7 -40.17 13.9 Favored 'Isoleucine or valine' 0 C--N 1.354 0.799 0 O-C-N 125.026 1.454 . . . . 1.0 111.515 -179.551 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.22 -23.64 64.2 Favored 'General case' 0 C--N 1.39 2.344 0 O-C-N 125.307 1.629 . . . . 1.0 114.05 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -90.31 -34.68 15.63 Favored 'General case' 0 CA--C 1.584 2.279 0 O-C-N 125.73 1.894 . . . . 1.0 112.334 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -72.22 -19.65 61.68 Favored 'General case' 0 N--CA 1.511 2.595 0 O-C-N 128.043 3.339 . . . . 1.0 110.202 170.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -91.13 6.1 46.33 Favored 'General case' 0 C--N 1.378 1.823 0 CA-C-N 113.986 -1.461 . . . . 1.0 112.861 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.81 30.88 78.44 Favored Glycine 0 C--N 1.39 3.543 0 CA-C-N 115.152 -0.931 . . . . 1.0 114.711 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 6.0 mtm -115.01 151.46 34.15 Favored 'General case' 0 C--N 1.373 1.594 0 C-N-CA 123.321 0.648 . . . . 1.0 109.816 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.19 124.17 72.62 Favored 'Isoleucine or valine' 0 C--O 1.256 1.447 0 CA-C-N 114.971 -1.013 . . . . 1.0 111.369 -177.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.92 126.22 46.03 Favored 'General case' 0 C--O 1.262 1.726 0 O-C-N 125.132 1.52 . . . . 1.0 109.851 176.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.17 131.21 54.88 Favored 'General case' 0 C--O 1.258 1.528 0 O-C-N 124.414 1.072 . . . . 1.0 111.045 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.06 132.94 60.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 O-C-N 124.494 1.121 . . . . 1.0 108.445 -178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -81.85 135.36 48.82 Favored Pre-proline 0 C--N 1.374 1.673 0 O-C-N 125.355 1.659 . . . . 1.0 110.425 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -67.93 123.19 10.39 Favored 'Trans proline' 0 C--N 1.405 3.552 0 N-CA-C 117.619 2.123 . . . . 1.0 117.619 -178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB2' ' HD3' ' A' ' 98' ' ' PRO . . . -68.17 141.19 56.09 Favored 'General case' 0 C--O 1.259 1.594 0 CA-C-N 111.231 -2.713 . . . . 1.0 109.4 176.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -139.71 156.49 46.77 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.765 -173.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.5 t -89.84 121.84 32.35 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 125.593 1.808 . . . . 1.0 107.16 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 45.3 mtt180 -93.73 2.5 56.25 Favored 'General case' 0 C--O 1.255 1.357 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.8 -47.6 5.24 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 8.3 p -97.78 -20.64 17.42 Favored 'General case' 0 C--N 1.364 1.199 0 O-C-N 124.916 1.385 . . . . 1.0 113.595 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 100.08 -19.51 52.77 Favored Glycine 0 C--N 1.374 2.64 0 O-C-N 124.75 1.281 . . . . 1.0 113.438 -177.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -52.64 131.39 34.44 Favored 'General case' 0 C--N 1.398 2.704 0 O-C-N 125.211 1.183 . . . . 1.0 112.468 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.71 127.8 64.94 Favored 'Isoleucine or valine' 0 C--O 1.262 1.748 0 O-C-N 125.475 1.734 . . . . 1.0 110.82 -175.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -98.09 150.91 20.93 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 124.843 1.339 . . . . 1.0 111.817 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.3 mttt -66.0 148.86 51.16 Favored 'General case' 0 C--O 1.269 2.086 0 O-C-N 124.881 1.363 . . . . 1.0 109.926 177.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.42 114.98 5.84 Favored 'General case' 0 C--O 1.256 1.405 0 O-C-N 124.137 0.898 . . . . 1.0 111.049 -178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -122.82 175.33 6.6 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-N 114.058 -1.428 . . . . 1.0 110.77 -175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.564 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -100.72 -83.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.563 1.469 0 CA-C-N 114.38 -1.282 . . . . 1.0 110.554 178.592 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.564 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.3 m120 -58.35 140.3 53.77 Favored 'General case' 0 C--O 1.276 2.482 0 O-C-N 125.86 1.975 . . . . 1.0 107.165 173.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.02 147.95 33.93 Favored Pre-proline 0 CA--C 1.563 1.449 0 O-C-N 124.919 1.387 . . . . 1.0 113.107 -175.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -80.46 155.59 21.65 Favored 'Trans proline' 0 C--N 1.394 2.945 0 C-N-CA 121.732 1.621 . . . . 1.0 115.056 169.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.4 m -97.39 -20.78 17.58 Favored 'General case' 0 C--O 1.244 0.77 0 O-C-N 125.369 1.668 . . . . 1.0 111.465 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -149.9 144.65 26.05 Favored 'General case' 0 C--O 1.263 1.799 0 CA-C-N 115.164 -0.926 . . . . 1.0 110.445 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -71.25 128.01 90.75 Favored Pre-proline 0 C--O 1.26 1.628 0 O-C-N 124.816 1.322 . . . . 1.0 111.389 177.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.34 -20.54 27.68 Favored 'Trans proline' 1 C--N 1.416 4.112 0 N-CA-C 116.747 1.787 . . . . 1.0 116.747 177.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -84.62 -51.39 6.88 Favored 'General case' 0 C--N 1.359 0.996 0 O-C-N 124.606 1.191 . . . . 1.0 111.266 179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.2 p -141.83 -101.86 0.14 Allowed 'General case' 0 N--CA 1.427 -1.624 0 O-C-N 125.933 2.021 . . . . 1.0 111.436 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -137.49 147.38 45.21 Favored 'General case' 0 C--O 1.26 1.621 0 O-C-N 125.236 1.585 . . . . 1.0 111.087 -171.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -141.32 136.85 31.95 Favored 'General case' 0 C--N 1.372 1.579 0 CA-C-N 114.769 -1.105 . . . . 1.0 110.406 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -149.22 -50.89 0.15 Allowed 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 114.644 -1.162 . . . . 1.0 109.989 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 56.9 m95 -102.17 94.01 5.52 Favored 'General case' 0 C--O 1.247 0.952 0 O-C-N 125.966 2.041 . . . . 1.0 110.851 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.6 147.1 31.5 Favored 'Isoleucine or valine' 0 C--O 1.255 1.357 0 CA-C-N 114.756 -1.111 . . . . 1.0 109.813 -177.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.28 131.32 36.15 Favored 'General case' 0 C--O 1.253 1.258 0 O-C-N 124.337 1.023 . . . . 1.0 110.345 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -80.19 140.3 53.03 Favored Pre-proline 0 C--O 1.256 1.414 0 O-C-N 124.83 1.331 . . . . 1.0 111.449 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' ' 68' ' ' ALA . 40.1 Cg_endo -62.72 157.51 47.08 Favored 'Trans proline' 0 C--N 1.411 3.866 0 C-N-CA 122.087 1.858 . . . . 1.0 115.409 177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -109.75 135.75 50.18 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 113.388 -1.733 . . . . 1.0 110.573 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -117.55 127.49 54.04 Favored 'General case' 0 CA--C 1.49 -1.345 0 O-C-N 124.962 1.414 . . . . 1.0 110.769 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -141.15 156.92 45.88 Favored 'General case' 0 C--O 1.251 1.15 0 O-C-N 124.291 0.994 . . . . 1.0 110.492 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.48 136.3 53.9 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 123.8 0.687 . . . . 1.0 109.993 179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.56 133.23 55.76 Favored 'General case' 0 C--O 1.263 1.789 0 CA-C-N 114.912 -1.04 . . . . 1.0 109.654 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mtp180 -102.87 121.79 43.22 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 125.621 1.826 . . . . 1.0 110.834 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 4.988 0 C-N-CA 126.893 2.077 . . . . 1.0 112.012 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 119.05 -0.5 . . . . 1.0 112.317 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -114.98 139.32 49.93 Favored 'General case' 0 C--O 1.26 1.618 0 O-C-N 124.484 1.115 . . . . 1.0 110.511 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -109.51 129.74 55.55 Favored 'General case' 0 C--O 1.262 1.737 0 O-C-N 124.773 1.295 . . . . 1.0 110.416 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -120.12 142.39 48.96 Favored 'General case' 0 C--O 1.256 1.438 0 O-C-N 124.726 1.266 . . . . 1.0 111.122 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -103.55 137.23 41.92 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 124.46 1.1 . . . . 1.0 110.394 178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -111.91 131.91 55.07 Favored 'General case' 0 C--O 1.258 1.511 0 O-C-N 124.547 1.154 . . . . 1.0 111.507 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -109.24 -35.69 6.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.263 0.977 . . . . 1.0 112.227 178.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 124.3 -113.05 1.92 Allowed Glycine 0 CA--C 1.48 -2.116 0 O-C-N 126.01 2.069 . . . . 1.0 112.613 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -86.3 -22.54 26.7 Favored 'General case' 0 N--CA 1.489 1.476 0 N-CA-C 114.639 1.348 . . . . 1.0 114.639 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.43 -34.27 74.18 Favored 'General case' 0 C--N 1.377 1.781 0 N-CA-C 114.465 1.283 . . . . 1.0 114.465 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 p -83.72 -36.94 23.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 125.034 1.459 . . . . 1.0 114.137 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -41.09 81.62 Favored 'General case' 0 C--N 1.404 2.95 0 O-C-N 126.775 2.547 . . . . 1.0 113.522 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.607 ' HA ' HD12 ' A' ' 16' ' ' ILE . 6.0 mtm180 -69.66 -37.52 76.75 Favored 'General case' 0 C--N 1.387 2.226 0 O-C-N 125.268 1.605 . . . . 1.0 113.254 177.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.446 ' O ' HG22 ' A' ' 17' ' ' ILE . 4.6 mt-10 -67.45 -35.93 80.19 Favored 'General case' 0 C--N 1.383 2.028 0 O-C-N 126.08 2.112 . . . . 1.0 112.055 176.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -64.56 -32.51 74.19 Favored 'General case' 0 C--N 1.389 2.299 0 O-C-N 124.419 1.075 . . . . 1.0 113.076 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 13' ' ' ARG . 6.5 mt -67.64 -46.34 83.04 Favored 'Isoleucine or valine' 0 C--N 1.378 1.824 0 O-C-N 124.453 1.095 . . . . 1.0 110.986 176.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -71.27 -11.62 15.23 Favored 'Isoleucine or valine' 0 CA--C 1.598 2.807 0 O-C-N 125.09 1.494 . . . . 1.0 113.681 178.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -98.97 -40.07 8.24 Favored 'General case' 0 C--O 1.244 0.763 0 O-C-N 125.343 1.652 . . . . 1.0 114.12 -172.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.76 -21.3 23.88 Favored 'General case' 0 C--O 1.257 1.456 0 O-C-N 125.497 1.748 . . . . 1.0 113.899 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.93 -9.38 58.14 Favored 'General case' 0 C--O 1.267 2.015 0 N-CA-C 114.411 1.263 . . . . 1.0 114.411 -175.088 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.33 -11.27 52.61 Favored 'General case' 0 C--N 1.405 2.994 0 C-N-CA 124.028 0.931 . . . . 1.0 112.927 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -103.87 -26.22 12.76 Favored 'General case' 0 C--N 1.371 1.536 0 O-C-N 124.64 1.213 . . . . 1.0 113.158 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.85 179.85 35.13 Favored Glycine 0 CA--C 1.486 -1.77 0 O-C-N 125.066 1.479 . . . . 1.0 112.039 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.563 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 5.0 p-10 -112.1 131.24 55.56 Favored 'General case' 0 C--O 1.268 2.066 0 CA-C-N 115.261 -0.469 . . . . 1.0 110.073 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -135.83 146.75 47.83 Favored 'General case' 0 CA--C 1.471 -2.09 0 O-C-N 124.772 1.295 . . . . 1.0 110.193 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.13 161.63 67.38 Favored Pre-proline 0 C--O 1.251 1.172 0 O-C-N 124.491 1.119 . . . . 1.0 110.055 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.433 ' HB3' HG21 ' A' ' 45' ' ' ILE . 83.8 Cg_exo -52.64 -46.52 32.84 Favored 'Trans proline' 1 C--N 1.43 4.868 0 C-N-CA 122.801 2.334 . . . . 1.0 115.209 178.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.6 m -60.29 -32.42 71.18 Favored 'General case' 0 C--N 1.4 2.773 0 O-C-N 124.54 1.15 . . . . 1.0 113.03 173.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.89 -35.99 69.91 Favored 'General case' 0 C--N 1.405 2.986 0 O-C-N 125.249 1.593 . . . . 1.0 112.783 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.16 -3.23 18.96 Favored 'General case' 0 C--N 1.405 2.987 0 O-C-N 125.431 1.707 . . . . 1.0 112.044 173.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.05 -30.47 11.16 Favored 'General case' 0 C--N 1.394 2.537 0 CA-C-N 113.559 -1.655 . . . . 1.0 110.12 175.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -64.66 -47.6 77.88 Favored 'General case' 0 C--N 1.396 2.618 0 O-C-N 124.227 0.955 . . . . 1.0 111.332 176.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.735 ' O ' ' HB2' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -84.08 83.08 1.85 Allowed 'Isoleucine or valine' 0 C--O 1.285 2.967 0 N-CA-C 107.947 -1.131 . . . . 1.0 107.947 174.755 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.735 ' HB2' ' O ' ' A' ' 33' ' ' ILE . 0.1 OUTLIER 152.67 -161.83 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.216 0 N-CA-C 108.919 -0.771 . . . . 1.0 108.919 -176.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.518 ' H ' HD23 ' A' ' 34' ' ' LEU . 1.5 m-20 -103.79 132.8 49.7 Favored 'General case' 0 C--O 1.271 2.197 0 CA-C-N 114.011 -1.449 . . . . 1.0 108.252 175.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.5 mtm -85.47 -33.5 21.84 Favored 'General case' 0 CA--C 1.479 -1.785 0 N-CA-C 114.477 1.288 . . . . 1.0 114.477 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 66.52 -79.69 0.03 OUTLIER 'General case' 0 C--N 1.417 3.525 0 C-N-CA 124.928 1.291 . . . . 1.0 110.065 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -160.65 -107.91 0.23 Allowed Glycine 0 N--CA 1.411 -2.993 0 O-C-N 126.012 2.07 . . . . 1.0 112.89 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -110.44 135.31 51.33 Favored 'General case' 0 C--O 1.258 1.546 0 O-C-N 125.828 1.546 . . . . 1.0 111.547 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.07 77.17 0.96 Allowed Glycine 0 C--N 1.361 1.952 0 O-C-N 124.626 1.204 . . . . 1.0 113.156 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -129.72 -31.1 2.01 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 125.217 1.187 . . . . 1.0 112.525 -179.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.465 ' O ' HG22 ' A' ' 45' ' ' ILE . 62.2 mttt -73.94 -52.62 12.29 Favored 'General case' 0 C--N 1.379 1.889 0 N-CA-C 114.715 1.376 . . . . 1.0 114.715 -177.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HA ' HD12 ' A' ' 46' ' ' LEU . 60.5 mttt -74.74 -29.33 61.12 Favored 'General case' 0 C--N 1.366 1.313 0 O-C-N 125.476 1.735 . . . . 1.0 113.832 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.6 -40.43 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 125.688 1.867 . . . . 1.0 111.305 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -73.33 -24.9 20.78 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.185 0 O-C-N 126.584 2.427 . . . . 1.0 112.939 178.046 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 43' ' ' LYS . 12.4 mt -73.62 -36.77 65.5 Favored 'General case' 0 C--N 1.348 0.53 0 O-C-N 126.346 2.279 . . . . 1.0 112.131 -178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -74.02 -27.72 61.09 Favored 'General case' 0 C--N 1.384 2.085 0 O-C-N 126.361 2.288 . . . . 1.0 111.349 176.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.42 -33.29 75.61 Favored 'General case' 0 C--N 1.395 2.586 0 O-C-N 124.726 1.266 . . . . 1.0 111.863 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.97 -34.33 78.17 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 116.185 1.92 . . . . 1.0 116.185 174.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -64.15 -36.03 82.7 Favored 'General case' 0 C--N 1.356 0.878 0 O-C-N 126.952 2.658 . . . . 1.0 112.248 177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.4 t -74.51 -45.26 46.14 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 C-N-CA 124.594 1.157 . . . . 1.0 111.689 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.736 ' HA ' HD12 ' A' ' 55' ' ' ILE . 9.1 mt -69.57 -36.61 71.78 Favored 'Isoleucine or valine' 0 C--N 1.354 0.769 0 O-C-N 126.013 2.071 . . . . 1.0 112.335 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.2 p -60.73 -31.62 70.92 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 126.299 2.25 . . . . 1.0 114.355 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -71.34 -34.58 70.65 Favored 'General case' 0 C--N 1.39 2.342 0 O-C-N 125.084 1.49 . . . . 1.0 113.226 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 52' ' ' ILE . 0.2 OUTLIER -85.16 -39.08 13.73 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.77 0 O-C-N 125.29 1.619 . . . . 1.0 111.542 -179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -60.09 -24.74 64.87 Favored 'General case' 0 C--N 1.389 2.31 0 O-C-N 125.509 1.755 . . . . 1.0 114.708 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -90.23 -35.4 15.35 Favored 'General case' 0 CA--C 1.584 2.285 0 O-C-N 125.762 1.914 . . . . 1.0 112.338 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 38.8 mtt180 -72.04 -21.75 61.49 Favored 'General case' 0 N--CA 1.524 3.241 0 O-C-N 128.486 3.616 . . . . 1.0 109.958 170.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -103.83 12.68 34.2 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-N 114.089 -1.414 . . . . 1.0 113.318 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.51 -60.06 1.58 Allowed Glycine 0 C--N 1.368 2.346 0 CA-C-O 117.85 -1.528 . . . . 1.0 116.591 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.423 ' HG2' ' HA ' ' A' ' 104' ' ' ARG . 20.5 mtm -37.97 115.54 0.44 Allowed 'General case' 0 C--N 1.403 2.896 0 O-C-N 128.714 3.244 . . . . 1.0 110.948 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.81 139.67 18.59 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.294 0 CA-C-N 114.846 -1.07 . . . . 1.0 112.801 -171.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 101' ' ' LYS . 3.0 mm? -94.8 123.9 38.52 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 126.016 2.072 . . . . 1.0 113.156 176.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.91 131.13 55.57 Favored 'General case' 0 C--O 1.261 1.701 0 O-C-N 125.097 1.498 . . . . 1.0 110.783 -178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -113.28 131.42 65.03 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 O-C-N 124.641 1.213 . . . . 1.0 108.819 -178.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -83.63 134.76 44.24 Favored Pre-proline 0 C--N 1.376 1.72 0 O-C-N 125.6 1.812 . . . . 1.0 109.911 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -67.55 118.88 5.92 Favored 'Trans proline' 0 C--N 1.409 3.745 0 N-CA-C 117.377 2.029 . . . . 1.0 117.377 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.52 141.75 58.27 Favored 'General case' 0 C--O 1.271 2.237 0 CA-C-N 110.697 -2.956 . . . . 1.0 109.114 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.668 ' HG3' HG13 ' A' ' 76' ' ' VAL . 2.6 tt0 -136.35 149.33 48.31 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 123.996 0.81 . . . . 1.0 111.905 -172.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 6.2 t -90.73 120.23 31.61 Favored 'General case' 0 C--O 1.268 2.036 0 N-CA-C 106.335 -1.728 . . . . 1.0 106.335 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -91.02 0.48 57.53 Favored 'General case' 0 C--O 1.259 1.586 0 N-CA-C 114.436 1.272 . . . . 1.0 114.436 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -99.8 -49.1 4.47 Favored 'General case' 0 C--N 1.362 1.148 0 N-CA-C 113.161 0.8 . . . . 1.0 113.161 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 59.7 m -95.94 -21.41 18.05 Favored 'General case' 0 C--N 1.378 1.843 0 O-C-N 124.508 1.13 . . . . 1.0 113.032 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.53 -18.15 57.38 Favored Glycine 0 C--N 1.38 2.974 0 O-C-N 124.782 1.301 . . . . 1.0 113.562 -178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -53.0 131.71 36.57 Favored 'General case' 0 C--N 1.403 2.911 0 O-C-N 125.199 1.176 . . . . 1.0 113.148 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.668 HG13 ' HG3' ' A' ' 69' ' ' GLN . 6.7 t -105.67 130.1 57.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.092 0 O-C-N 125.744 1.902 . . . . 1.0 109.461 -176.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -97.78 147.6 24.22 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 125.08 1.487 . . . . 1.0 111.381 176.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -70.37 153.38 43.06 Favored 'General case' 0 C--O 1.266 1.966 0 O-C-N 124.781 1.301 . . . . 1.0 110.589 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.89 116.91 9.91 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.367 1.042 . . . . 1.0 111.306 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -123.31 174.51 7.27 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 113.665 -1.607 . . . . 1.0 110.482 -175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.45 ' H ' HG13 ' A' ' 81' ' ' ILE . 0.6 OUTLIER -103.63 46.3 0.13 Allowed 'Isoleucine or valine' 0 C--O 1.261 1.675 0 CA-C-N 114.458 -1.246 . . . . 1.0 111.906 178.259 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.64 170.89 7.82 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 122.24 -0.288 . . . . 1.0 111.185 -175.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -119.03 126.4 27.1 Favored Pre-proline 0 CA--C 1.579 2.063 0 O-C-N 124.499 1.124 . . . . 1.0 108.427 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -77.97 146.18 22.93 Favored 'Trans proline' 0 C--N 1.389 2.684 0 C-N-CA 121.429 1.42 . . . . 1.0 115.597 171.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.1 m -97.04 -26.49 14.98 Favored 'General case' 0 C--O 1.248 1.008 0 O-C-N 125.514 1.759 . . . . 1.0 111.044 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -146.83 141.37 26.57 Favored 'General case' 0 C--O 1.268 2.043 0 C-N-CA 123.702 0.801 . . . . 1.0 110.17 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.55 124.52 86.28 Favored Pre-proline 0 C--N 1.398 2.679 0 O-C-N 124.603 1.19 . . . . 1.0 109.795 176.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -66.34 -34.03 36.54 Favored 'Trans proline' 0 C--N 1.413 3.957 0 C-N-CA 122.57 2.18 . . . . 1.0 117.26 -177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.42 -43.73 18.51 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.621 1.201 . . . . 1.0 111.895 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 6.0 p -118.42 -117.81 0.32 Allowed 'General case' 0 N--CA 1.397 -3.083 0 O-C-N 125.72 1.887 . . . . 1.0 110.609 -177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -165.34 2.36 0.03 OUTLIER 'General case' 0 C--O 1.275 2.436 0 O-C-N 124.888 1.367 . . . . 1.0 113.671 -170.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 36.0 p -45.36 174.91 0.0 OUTLIER 'General case' 0 C--O 1.28 2.665 0 O-C-N 125.586 1.804 . . . . 1.0 114.266 -174.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.95 -30.63 0.8 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.451 -1.25 . . . . 1.0 113.397 -165.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -86.95 94.23 9.55 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.889 2.618 . . . . 1.0 112.393 -178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.09 138.68 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 114.553 -1.203 . . . . 1.0 108.484 -177.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -96.36 131.68 42.64 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 125.883 1.99 . . . . 1.0 108.85 176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -75.17 138.51 72.12 Favored Pre-proline 0 C--O 1.254 1.336 0 O-C-N 124.259 0.974 . . . . 1.0 112.238 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -65.23 157.84 55.46 Favored 'Trans proline' 1 C--N 1.418 4.22 0 C-N-CA 121.646 1.564 . . . . 1.0 114.43 176.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.0 mtt180 -112.74 138.24 49.84 Favored 'General case' 0 C--O 1.26 1.62 0 CA-C-N 113.787 -1.551 . . . . 1.0 110.577 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -115.65 130.2 56.77 Favored 'General case' 0 C--O 1.256 1.41 0 O-C-N 125.236 1.585 . . . . 1.0 110.122 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.563 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 23.7 mttt -138.46 153.23 48.83 Favored 'General case' 0 C--O 1.247 0.968 0 O-C-N 124.485 1.116 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.61 129.29 55.66 Favored 'General case' 0 C--O 1.264 1.858 0 O-C-N 124.48 1.113 . . . . 1.0 109.539 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -124.33 148.38 47.52 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.054 -0.975 . . . . 1.0 110.364 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 61' ' ' MET . 49.6 mtt180 -104.77 120.02 40.39 Favored 'General case' 0 C--O 1.259 1.6 0 O-C-N 125.3 1.625 . . . . 1.0 110.67 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 46.9 mttt . . . . . 2 N--CA 1.56 5.036 0 C-N-CA 126.935 2.094 . . . . 1.0 112.046 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.267 2.005 0 N-CA-C 110.123 -0.325 . . . . 1.0 110.123 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -112.02 -22.16 11.17 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.863 1.352 . . . . 1.0 113.437 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -100.81 127.09 47.4 Favored 'General case' 0 C--O 1.265 1.894 0 O-C-N 125.176 1.547 . . . . 1.0 111.409 -179.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.5 146.86 43.25 Favored 'General case' 0 C--O 1.26 1.612 0 O-C-N 125.081 1.488 . . . . 1.0 110.926 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.71 118.06 30.65 Favored 'General case' 0 C--O 1.268 2.049 0 O-C-N 125.119 1.512 . . . . 1.0 110.207 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -118.54 138.47 52.51 Favored 'General case' 0 C--O 1.255 1.391 0 O-C-N 124.73 1.269 . . . . 1.0 111.245 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -115.08 130.78 57.02 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 125.153 1.533 . . . . 1.0 110.608 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.22 158.02 16.46 Favored Glycine 0 C--O 1.259 1.661 0 O-C-N 125.308 1.63 . . . . 1.0 112.154 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -85.69 -25.88 26.26 Favored 'General case' 0 C--O 1.265 1.906 0 O-C-N 125.057 1.092 . . . . 1.0 113.415 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.58 -27.73 41.12 Favored 'General case' 0 C--N 1.376 1.742 0 O-C-N 125.163 1.539 . . . . 1.0 113.406 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 p -82.74 -40.79 20.05 Favored 'General case' 0 C--N 1.373 1.624 0 O-C-N 124.974 1.421 . . . . 1.0 112.803 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 16' ' ' ILE . 84.8 mtt180 -61.13 -39.26 89.34 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 127.388 2.93 . . . . 1.0 112.169 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -70.64 -36.36 73.39 Favored 'General case' 0 C--N 1.388 2.281 0 O-C-N 125.711 1.882 . . . . 1.0 112.94 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.461 ' HA ' HD11 ' A' ' 17' ' ' ILE . 13.8 mt-10 -65.56 -33.02 74.94 Favored 'General case' 0 C--N 1.377 1.79 0 O-C-N 126.114 2.134 . . . . 1.0 112.879 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -70.14 -25.46 63.48 Favored 'General case' 0 C--N 1.38 1.92 0 O-C-N 124.771 1.294 . . . . 1.0 113.328 176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 20' ' ' LEU . 36.5 mm -68.64 -46.75 79.39 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 O-C-N 124.62 1.2 . . . . 1.0 112.042 176.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.461 HD11 ' HA ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -79.93 3.31 1.98 Allowed 'Isoleucine or valine' 0 C--O 1.27 2.158 0 O-C-N 126.061 2.101 . . . . 1.0 113.284 178.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -107.95 -40.18 5.32 Favored 'General case' 0 C--N 1.392 2.433 0 C-N-CA 124.093 0.957 . . . . 1.0 112.618 -174.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.08 -22.5 20.7 Favored 'General case' 0 C--O 1.264 1.824 0 O-C-N 124.881 1.363 . . . . 1.0 112.888 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.602 HD12 HD21 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -81.85 -10.5 59.3 Favored 'General case' 0 C--N 1.391 2.412 0 C-N-CA 124.686 1.195 . . . . 1.0 114.002 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.9 -10.17 51.47 Favored 'General case' 0 C--N 1.393 2.463 0 C-N-CA 124.988 1.315 . . . . 1.0 112.667 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.57 -26.15 12.46 Favored 'General case' 0 C--N 1.369 1.456 0 O-C-N 125.222 1.576 . . . . 1.0 113.716 177.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.53 -173.7 31.54 Favored Glycine 0 C--O 1.264 1.978 0 O-C-N 124.723 1.264 . . . . 1.0 111.936 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.516 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 2.4 p-10 -116.01 130.71 56.94 Favored 'General case' 0 C--O 1.264 1.859 0 O-C-N 124.494 0.761 . . . . 1.0 110.586 -179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 42.7 m-85 -137.25 144.39 42.73 Favored 'General case' 0 C--O 1.271 2.203 0 O-C-N 124.634 1.209 . . . . 1.0 110.043 179.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.6 m -72.82 159.91 84.17 Favored Pre-proline 0 C--O 1.256 1.42 0 CA-C-O 117.178 -1.391 . . . . 1.0 110.462 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.659 ' HB3' HG21 ' A' ' 45' ' ' ILE . 86.8 Cg_exo -53.12 -45.28 42.21 Favored 'Trans proline' 1 C--N 1.431 4.918 0 C-N-CA 122.765 2.31 . . . . 1.0 114.947 179.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.3 m -66.56 -27.18 67.54 Favored 'General case' 0 C--N 1.399 2.755 0 O-C-N 124.609 1.193 . . . . 1.0 112.896 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 10.1 mt-10 -76.14 -39.71 54.41 Favored 'General case' 0 C--N 1.377 1.788 0 O-C-N 125.732 1.895 . . . . 1.0 112.914 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.602 HD21 HD12 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -63.85 1.07 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 127.835 3.21 . . . . 1.0 111.125 177.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.47 -20.57 1.9 Allowed 'General case' 0 C--N 1.377 1.798 0 N-CA-C 114.749 1.388 . . . . 1.0 114.749 175.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -41.79 73.32 Favored 'General case' 0 C--N 1.398 2.703 0 O-C-N 125.009 1.443 . . . . 1.0 112.882 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.576 HG22 ' O ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -81.07 84.9 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.383 2.038 0 O-C-N 125.599 1.812 . . . . 1.0 109.063 173.256 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' H ' ' H ' ' A' ' 35' ' ' ASP . 0.0 OUTLIER -172.19 -8.99 0.01 OUTLIER 'General case' 0 C--O 1.257 1.487 0 O-C-N 120.286 -1.509 . . . . 1.0 112.826 -171.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' H ' ' H ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER 62.42 27.94 16.57 Favored 'General case' 0 C--N 1.413 3.364 0 O-C-N 125.572 1.795 . . . . 1.0 111.662 -173.545 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mtm -131.28 156.45 45.42 Favored 'General case' 0 C--O 1.264 1.817 0 CA-C-N 114.71 -1.132 . . . . 1.0 111.367 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -96.04 132.59 41.23 Favored 'General case' 0 C--O 1.269 2.121 0 O-C-N 125.145 1.528 . . . . 1.0 109.751 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.87 127.72 6.8 Favored Glycine 0 C--N 1.352 1.471 0 O-C-N 125.238 1.586 . . . . 1.0 112.55 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -109.21 -41.5 4.65 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 125.811 1.536 . . . . 1.0 112.287 177.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -136.32 85.66 0.24 Allowed Glycine 0 C--N 1.37 2.439 0 O-C-N 125.322 1.639 . . . . 1.0 111.371 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.51 -11.28 9.5 Favored 'General case' 0 C--O 1.271 2.187 0 O-C-N 126.095 1.703 . . . . 1.0 112.856 -176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' O ' HG22 ' A' ' 45' ' ' ILE . 40.8 mttt -64.11 -52.09 60.82 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-O 117.648 -1.167 . . . . 1.0 113.352 -174.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -74.56 -29.82 61.5 Favored 'General case' 0 C--N 1.38 1.915 0 O-C-N 125.268 1.605 . . . . 1.0 113.935 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.64 -42.12 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 125.979 2.049 . . . . 1.0 111.338 178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.659 HG21 ' HB3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -74.04 -22.67 18.38 Favored 'Isoleucine or valine' 0 CA--C 1.567 1.628 0 O-C-N 125.506 1.754 . . . . 1.0 113.257 178.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 49' ' ' LEU . 22.3 mt -76.42 -35.33 58.6 Favored 'General case' 0 C--N 1.372 1.559 0 O-C-N 124.899 1.374 . . . . 1.0 112.433 -177.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -76.13 -27.4 57.05 Favored 'General case' 0 C--N 1.375 1.685 0 O-C-N 126.836 2.585 . . . . 1.0 111.806 174.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -66.29 -34.58 78.32 Favored 'General case' 0 C--N 1.394 2.536 0 O-C-N 125.231 1.582 . . . . 1.0 112.244 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 46' ' ' LEU . 3.3 mt -65.79 -33.04 74.93 Favored 'General case' 0 C--N 1.386 2.172 0 O-C-N 125.599 1.812 . . . . 1.0 113.189 176.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -62.72 -36.08 81.83 Favored 'General case' 0 C--N 1.375 1.693 0 O-C-N 126.267 2.23 . . . . 1.0 112.58 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.29 -44.42 42.58 Favored 'Isoleucine or valine' 0 C--N 1.377 1.803 0 C-N-CA 124.978 1.311 . . . . 1.0 111.254 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.1 mt -70.76 -32.69 49.9 Favored 'Isoleucine or valine' 0 C--N 1.363 1.188 0 O-C-N 125.682 1.864 . . . . 1.0 111.466 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 43.9 m -64.2 -31.85 73.21 Favored 'General case' 0 C--O 1.257 1.465 0 O-C-N 124.93 1.394 . . . . 1.0 113.165 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.12 -34.32 68.49 Favored 'General case' 0 C--N 1.385 2.115 0 O-C-N 125.333 1.646 . . . . 1.0 113.678 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.8 mt -85.2 -40.72 15.11 Favored 'Isoleucine or valine' 0 C--N 1.366 1.29 0 O-C-N 125.518 1.762 . . . . 1.0 111.983 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.75 -25.38 64.83 Favored 'General case' 0 C--N 1.379 1.856 0 O-C-N 126.68 2.488 . . . . 1.0 113.774 178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -88.29 -35.26 17.34 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 126.115 2.134 . . . . 1.0 115.199 178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.3 mtt180 -69.5 -19.28 63.73 Favored 'General case' 0 N--CA 1.509 2.49 0 CA-C-N 113.851 -1.522 . . . . 1.0 113.23 167.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 6.9 44.05 Favored 'General case' 0 C--O 1.276 2.48 0 CA-C-N 113.313 -1.767 . . . . 1.0 113.012 175.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.18 34.46 89.17 Favored Glycine 0 C--N 1.391 3.631 0 CA-C-O 117.864 -1.52 . . . . 1.0 114.474 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.0 mtm -120.76 147.69 44.98 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 125.044 1.085 . . . . 1.0 108.964 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -115.88 125.51 73.04 Favored 'Isoleucine or valine' 0 C--O 1.261 1.695 0 CA-C-N 114.527 -1.215 . . . . 1.0 110.835 -176.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -98.86 127.98 44.93 Favored 'General case' 0 C--O 1.266 1.972 0 O-C-N 124.887 1.367 . . . . 1.0 110.213 176.382 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.74 126.9 53.51 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 124.541 1.151 . . . . 1.0 111.061 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.4 HG12 ' CE1' ' A' ' 100' ' ' PHE . 0.7 OUTLIER -111.35 132.19 60.57 Favored 'Isoleucine or valine' 0 C--O 1.269 2.118 0 O-C-N 124.943 1.402 . . . . 1.0 108.962 -178.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.58 135.19 46.61 Favored Pre-proline 0 C--O 1.27 2.146 0 O-C-N 125.872 1.982 . . . . 1.0 110.933 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -68.97 126.91 14.44 Favored 'Trans proline' 1 C--N 1.418 4.229 0 C-N-CA 122.189 1.926 . . . . 1.0 115.157 -176.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.01 140.14 58.26 Favored 'General case' 0 C--O 1.259 1.581 0 CA-C-N 110.938 -2.846 . . . . 1.0 109.425 176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.63 ' HG3' HG23 ' A' ' 76' ' ' VAL . 1.8 tt0 -136.29 148.12 47.81 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.186 0.929 . . . . 1.0 110.882 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 64.5 m -86.99 121.46 29.49 Favored 'General case' 0 C--O 1.271 2.206 0 O-C-N 124.888 1.367 . . . . 1.0 108.586 172.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -88.71 -5.4 58.13 Favored 'General case' 0 C--O 1.27 2.159 0 N-CA-C 114.692 1.367 . . . . 1.0 114.692 -172.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -95.67 -50.23 5.03 Favored 'General case' 0 C--N 1.374 1.642 0 O-C-N 124.175 0.922 . . . . 1.0 113.411 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 6.1 p -95.64 -19.44 19.74 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 125.882 1.989 . . . . 1.0 113.155 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.33 -18.67 57.05 Favored Glycine 0 C--N 1.379 2.937 0 O-C-N 125.651 1.844 . . . . 1.0 114.123 -177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -54.02 132.84 43.23 Favored 'General case' 0 C--N 1.406 3.032 0 O-C-N 126.553 1.972 . . . . 1.0 111.512 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.63 HG23 ' HG3' ' A' ' 69' ' ' GLN . 13.9 p -104.1 131.86 51.93 Favored 'Isoleucine or valine' 0 C--O 1.26 1.639 0 CA-C-N 113.586 -1.643 . . . . 1.0 110.029 -178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.77 149.85 23.75 Favored 'General case' 0 C--O 1.259 1.563 0 O-C-N 125.439 1.712 . . . . 1.0 111.298 174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.1 146.43 54.67 Favored 'General case' 0 C--O 1.262 1.714 0 CA-C-N 114.562 -1.199 . . . . 1.0 110.584 177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.06 117.7 9.48 Favored 'General case' 0 C--O 1.271 2.189 0 O-C-N 124.675 1.235 . . . . 1.0 110.796 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -124.5 178.19 5.53 Favored 'General case' 0 C--O 1.254 1.297 0 CA-C-N 113.358 -1.747 . . . . 1.0 110.088 -174.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.576 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -106.58 -80.82 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.262 1.738 0 CA-C-N 113.817 -1.538 . . . . 1.0 109.678 -179.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.576 ' H ' HD12 ' A' ' 81' ' ' ILE . 5.8 m-80 -63.18 143.45 57.78 Favored 'General case' 0 C--O 1.277 2.537 0 O-C-N 124.577 1.173 . . . . 1.0 108.782 171.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.1 147.2 33.78 Favored Pre-proline 0 CA--C 1.572 1.822 0 O-C-N 124.859 1.349 . . . . 1.0 111.363 -172.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -79.31 159.62 26.18 Favored 'Trans proline' 1 C--N 1.414 4.01 0 C-N-CA 121.893 1.729 . . . . 1.0 114.439 169.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.72 -21.84 22.5 Favored 'General case' 0 C--O 1.256 1.395 0 O-C-N 124.815 1.322 . . . . 1.0 111.976 176.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -151.73 153.44 34.34 Favored 'General case' 0 C--O 1.266 1.969 0 O-C-N 124.702 1.252 . . . . 1.0 111.011 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.3 m -77.55 142.85 67.09 Favored Pre-proline 0 C--O 1.256 1.441 0 O-C-N 125.376 1.672 . . . . 1.0 111.246 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -70.39 -17.75 34.51 Favored 'Trans proline' 1 C--N 1.416 4.131 0 C-N-CA 122.34 2.027 . . . . 1.0 115.278 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -86.11 -64.86 1.08 Allowed 'General case' 0 C--N 1.37 1.495 0 O-C-N 125.483 1.739 . . . . 1.0 110.882 177.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 6.4 p -120.53 -169.11 1.75 Allowed 'General case' 0 C--O 1.266 1.93 0 O-C-N 124.452 1.095 . . . . 1.0 110.166 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -106.26 26.94 9.18 Favored 'General case' 0 C--O 1.268 2.065 0 O-C-N 124.66 1.225 . . . . 1.0 111.594 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.17 112.77 3.56 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 114.856 -1.066 . . . . 1.0 110.294 178.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -91.03 5.53 48.47 Favored 'General case' 0 C--O 1.273 2.341 0 CA-C-N 113.465 -1.698 . . . . 1.0 114.013 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -96.76 88.12 4.51 Favored 'General case' 0 C--O 1.272 2.247 0 CA-C-O 122.158 0.98 . . . . 1.0 111.698 179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -120.29 144.01 30.39 Favored 'Isoleucine or valine' 0 C--O 1.259 1.572 0 CA-C-N 113.493 -1.685 . . . . 1.0 109.214 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.08 132.72 36.37 Favored 'General case' 0 C--O 1.262 1.749 0 O-C-N 125.648 1.842 . . . . 1.0 109.786 176.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.22 139.54 48.85 Favored Pre-proline 0 C--O 1.262 1.726 0 O-C-N 124.13 0.894 . . . . 1.0 111.625 -177.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.43 160.24 43.72 Favored 'Trans proline' 1 C--N 1.421 4.36 0 C-N-CA 121.651 1.567 . . . . 1.0 114.305 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.4 mtt180 -113.94 139.33 49.3 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 125.533 1.771 . . . . 1.0 109.602 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 65' ' ' ILE . 68.5 m-85 -115.86 129.55 56.46 Favored 'General case' 0 C--O 1.261 1.703 0 O-C-N 125.429 1.706 . . . . 1.0 110.147 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 15.6 mttt -139.76 151.81 46.1 Favored 'General case' 0 C--O 1.257 1.48 0 O-C-N 124.785 1.303 . . . . 1.0 110.788 179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.403 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -120.46 130.96 54.53 Favored 'General case' 0 C--O 1.272 2.241 0 O-C-N 125.007 1.442 . . . . 1.0 110.132 178.693 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.5 136.74 54.68 Favored 'General case' 0 C--O 1.268 2.034 0 O-C-N 125.091 1.495 . . . . 1.0 110.439 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -97.83 119.81 37.1 Favored 'General case' 0 C--O 1.255 1.356 0 O-C-N 125.561 1.788 . . . . 1.0 111.267 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.2 mttt . . . . . 2 N--CA 1.559 4.985 0 C-N-CA 126.909 2.083 . . . . 1.0 111.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.553 0 N-CA-C 111.308 0.114 . . . . 1.0 111.308 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -114.52 134.23 55.18 Favored 'General case' 0 C--O 1.26 1.623 0 O-C-N 125.197 1.561 . . . . 1.0 111.103 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -111.75 130.79 55.68 Favored 'General case' 0 C--O 1.258 1.52 0 O-C-N 125.202 1.564 . . . . 1.0 111.036 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -113.75 123.19 49.28 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 125.652 1.845 . . . . 1.0 111.826 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -115.02 135.93 53.69 Favored 'General case' 0 N--CA 1.485 1.3 0 O-C-N 125.552 1.782 . . . . 1.0 109.953 177.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.3 m-70 67.29 134.2 0.02 OUTLIER 'General case' 1 N--CA 1.55 4.536 0 C-N-CA 128.434 2.694 . . . . 1.0 113.183 -178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.19 127.78 53.08 Favored 'General case' 0 C--N 1.374 1.666 0 O-C-N 125.22 1.575 . . . . 1.0 111.384 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -124.93 141.08 12.85 Favored Glycine 0 C--N 1.359 1.818 0 O-C-N 125.958 2.036 . . . . 1.0 113.484 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.1 m -81.19 -26.17 36.18 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 125.706 1.602 . . . . 1.0 113.566 178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.59 -30.21 56.9 Favored 'General case' 0 C--N 1.391 2.394 0 C-N-CA 126.569 1.948 . . . . 1.0 113.543 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.8 p -74.52 -42.37 59.01 Favored 'General case' 0 N--CA 1.525 3.309 0 C-N-CA 126.115 1.766 . . . . 1.0 112.104 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -52.96 -39.53 63.01 Favored 'General case' 0 N--CA 1.538 3.952 0 O-C-N 124.903 1.377 . . . . 1.0 112.421 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.788 ' HA ' HD12 ' A' ' 16' ' ' ILE . 13.1 mtp180 -70.44 -35.97 73.67 Favored 'General case' 0 N--CA 1.526 3.345 0 C-N-CA 125.832 1.653 . . . . 1.0 112.283 172.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -65.25 -33.69 76.58 Favored 'General case' 0 N--CA 1.523 3.188 0 O-C-N 125.41 1.694 . . . . 1.0 112.624 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.7 mttt -65.65 -37.62 87.04 Favored 'General case' 0 C--N 1.406 3.06 0 C-N-CA 127.27 2.228 . . . . 1.0 112.651 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 13' ' ' ARG . 3.8 mt -62.88 -49.31 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.534 3.753 0 C-N-CA 126.033 1.733 . . . . 1.0 108.705 174.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . 0.269 0.1 OUTLIER -68.58 -17.12 21.78 Favored 'Isoleucine or valine' 0 CA--C 1.624 3.791 0 C-N-CA 125.863 1.665 . . . . 1.0 113.874 177.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -95.37 -41.74 8.86 Favored 'General case' 0 C--N 1.396 2.621 0 C-N-CA 125.27 1.428 . . . . 1.0 112.834 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.85 -30.0 21.78 Favored 'General case' 0 C--N 1.401 2.841 0 N-CA-C 114.935 1.457 . . . . 1.0 114.935 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD12 ' O ' ' A' ' 100' ' ' PHE . 4.3 mm? -80.52 -9.7 59.76 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 116.667 2.099 . . . . 1.0 116.667 -177.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -14.99 47.02 Favored 'General case' 0 C--N 1.413 3.366 0 C-N-CA 127.051 2.14 . . . . 1.0 112.407 176.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -99.82 -28.88 12.91 Favored 'General case' 0 C--N 1.383 2.03 0 C-N-CA 125.42 1.488 . . . . 1.0 112.294 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.95 175.96 35.85 Favored Glycine 0 C--N 1.385 3.297 0 O-C-N 124.923 1.389 . . . . 1.0 113.681 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.596 ' HB3' ' HG3' ' A' ' 101' ' ' LYS . 1.6 p-10 -107.31 126.77 52.87 Favored 'General case' 0 N--CA 1.499 2.012 0 C-N-CA 124.668 1.187 . . . . 1.0 110.047 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.42 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 54.6 m-85 -135.65 140.16 44.31 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 125.933 1.693 . . . . 1.0 110.069 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -77.23 161.74 71.85 Favored Pre-proline 0 N--CA 1.507 2.384 0 CA-C-O 115.783 -2.056 . . . . 1.0 112.288 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -50.32 -49.28 16.87 Favored 'Trans proline' 2 C--N 1.467 6.785 0 C-N-CA 123.657 2.904 . . . . 1.0 114.831 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.0 p -59.27 -34.02 71.75 Favored 'General case' 0 N--CA 1.522 3.126 0 C-N-CA 125.159 1.383 . . . . 1.0 113.628 173.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 5.5 mt-10 -70.98 -35.29 72.07 Favored 'General case' 0 N--CA 1.53 3.574 0 C-N-CA 125.567 1.547 . . . . 1.0 111.265 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.14 -9.58 47.66 Favored 'General case' 0 N--CA 1.509 2.523 0 O-C-N 125.575 1.797 . . . . 1.0 114.533 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -99.0 -33.9 10.63 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 127.23 2.212 . . . . 1.0 111.162 174.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -62.07 -50.32 72.42 Favored 'General case' 0 C--N 1.41 3.227 0 C-N-CA 126.6 1.96 . . . . 1.0 111.235 176.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -82.18 77.43 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.609 3.242 0 C-N-CA 127.253 2.221 . . . . 1.0 107.356 172.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 171.13 169.74 0.08 Allowed 'General case' 1 N--CA 1.544 4.254 0 C-N-CA 129.104 2.962 . . . . 1.0 111.963 -176.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.84 88.98 3.51 Favored 'General case' 0 C--N 1.4 2.761 0 C-N-CA 125.754 1.622 . . . . 1.0 107.835 175.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.4 mmt -115.17 139.65 49.74 Favored 'General case' 0 N--CA 1.494 1.769 0 CA-C-N 113.59 -1.641 . . . . 1.0 112.722 -176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -99.92 -34.38 10.14 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 125.381 1.676 . . . . 1.0 112.988 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.13 61.17 0.31 Allowed Glycine 0 C--N 1.386 3.337 0 O-C-N 124.713 1.258 . . . . 1.0 113.87 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.1 mttt -112.74 -40.49 4.02 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 125.443 1.319 . . . . 1.0 113.052 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 162.6 118.47 0.46 Allowed Glycine 0 C--N 1.38 2.99 0 O-C-N 124.94 1.4 . . . . 1.0 110.744 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.91 -23.35 3.98 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 125.667 1.451 . . . . 1.0 113.926 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -71.94 -61.76 1.67 Allowed 'General case' 0 C--N 1.399 2.753 0 C-N-CA 125.87 1.668 . . . . 1.0 114.779 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 46' ' ' LEU . 14.7 mttt -73.8 -33.17 64.09 Favored 'General case' 0 N--CA 1.52 3.068 0 C-N-CA 126.152 1.781 . . . . 1.0 114.442 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.4 t -64.5 -42.25 94.66 Favored 'Isoleucine or valine' 1 N--CA 1.545 4.282 0 C-N-CA 125.85 1.66 . . . . 1.0 110.441 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . 0.259 0.1 OUTLIER -69.75 -39.55 78.1 Favored 'Isoleucine or valine' 0 CA--C 1.613 3.373 0 O-C-N 125.547 1.78 . . . . 1.0 112.39 177.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.632 ' HA ' HD12 ' A' ' 49' ' ' LEU . 18.6 mt -62.17 -39.64 93.33 Favored 'General case' 0 N--CA 1.517 2.918 0 C-N-CA 127.367 2.267 . . . . 1.0 113.059 177.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.12 -30.01 63.31 Favored 'General case' 0 N--CA 1.523 3.196 0 C-N-CA 125.282 1.433 . . . . 1.0 111.582 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -66.42 -34.2 77.42 Favored 'General case' 0 N--CA 1.521 3.109 0 C-N-CA 125.617 1.567 . . . . 1.0 111.176 171.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 46' ' ' LEU . 7.7 mt -67.18 -34.6 77.87 Favored 'General case' 0 C--N 1.408 3.134 0 C-N-CA 125.972 1.709 . . . . 1.0 113.735 175.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.65 -36.85 85.18 Favored 'General case' 0 N--CA 1.523 3.194 0 C-N-CA 126.646 1.979 . . . . 1.0 112.434 176.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -77.85 -44.5 28.58 Favored 'Isoleucine or valine' 0 N--CA 1.515 2.79 0 C-N-CA 126.985 2.114 . . . . 1.0 111.949 176.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 6.1 mt -65.78 -42.14 91.74 Favored 'Isoleucine or valine' 0 N--CA 1.539 3.985 0 C-N-CA 125.583 1.553 . . . . 1.0 110.917 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 54.1 p -56.96 -32.68 66.29 Favored 'General case' 0 N--CA 1.532 3.641 0 N-CA-C 114.767 1.395 . . . . 1.0 114.767 177.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -74.41 -36.06 63.46 Favored 'General case' 0 N--CA 1.511 2.608 0 C-N-CA 125.319 1.448 . . . . 1.0 113.548 177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 2.1 mt -80.21 -39.0 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.529 3.486 0 O-C-N 124.721 1.263 . . . . 1.0 109.487 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -30.4 71.27 Favored 'General case' 0 C--N 1.413 3.354 0 N-CA-C 116.318 1.97 . . . . 1.0 116.318 178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -34.06 22.57 Favored 'General case' 0 N--CA 1.524 3.255 0 C-N-CA 124.859 1.264 . . . . 1.0 109.952 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -68.77 -29.87 68.35 Favored 'General case' 0 N--CA 1.535 3.786 0 O-C-N 126.228 2.205 . . . . 1.0 112.474 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -85.75 5.07 33.97 Favored 'General case' 0 CA--C 1.592 2.575 0 O-C-N 125.931 2.019 . . . . 1.0 112.45 175.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.17 35.54 91.68 Favored Glycine 0 C--N 1.397 3.966 0 C-N-CA 125.5 1.524 . . . . 1.0 116.301 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 31.3 mtt -120.23 143.22 48.4 Favored 'General case' 0 C--N 1.374 1.647 0 C-N-CA 126.696 1.998 . . . . 1.0 109.691 -176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.02 124.51 67.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.425 0 O-C-N 124.656 1.222 . . . . 1.0 111.672 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.83 122.98 44.35 Favored 'General case' 0 C--N 1.376 1.736 0 O-C-N 125.623 1.827 . . . . 1.0 109.528 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.78 125.09 51.57 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 125.631 1.832 . . . . 1.0 109.748 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -105.05 127.36 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 CA-C-N 112.684 -2.053 . . . . 1.0 107.3 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.99 130.62 72.22 Favored Pre-proline 0 CA--C 1.583 2.227 0 O-C-N 125.393 1.683 . . . . 1.0 110.772 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.78 123.53 11.8 Favored 'Trans proline' 1 C--N 1.453 6.066 0 C-N-CA 123.001 2.467 . . . . 1.0 116.472 -175.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.39 139.18 58.55 Favored 'General case' 0 N--CA 1.516 2.83 0 CA-C-N 112.936 -1.938 . . . . 1.0 109.844 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.577 ' HG3' HG13 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -138.29 147.22 43.38 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 113.271 0.841 . . . . 1.0 113.271 -172.423 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 59.0 m -91.01 117.69 29.78 Favored 'General case' 0 C--N 1.384 2.072 0 O-C-N 125.323 1.639 . . . . 1.0 107.154 174.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -88.19 -10.87 48.43 Favored 'General case' 0 N--CA 1.5 2.036 0 C-N-CA 126.119 1.768 . . . . 1.0 114.931 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -93.27 -45.61 7.76 Favored 'General case' 0 C--N 1.38 1.895 0 C-N-CA 125.471 1.508 . . . . 1.0 113.454 -178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.1 p -95.46 -27.29 15.47 Favored 'General case' 0 C--N 1.386 2.19 0 O-C-N 125.081 1.488 . . . . 1.0 113.38 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 101.77 -20.98 43.97 Favored Glycine 0 C--N 1.378 2.886 0 O-C-N 125.146 1.529 . . . . 1.0 114.036 -177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.01 125.48 10.58 Favored 'General case' 0 C--N 1.402 2.85 0 C-N-CA 125.864 1.665 . . . . 1.0 113.886 179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' HG3' ' A' ' 69' ' ' GLN . 3.2 t -100.61 120.66 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 125.707 1.88 . . . . 1.0 109.088 -177.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -103.9 147.6 27.14 Favored 'General case' 0 C--N 1.366 1.301 0 O-C-N 126.957 2.66 . . . . 1.0 110.538 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -65.79 138.81 58.17 Favored 'General case' 0 N--CA 1.506 2.341 0 C-N-CA 124.127 0.971 . . . . 1.0 113.174 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -55.18 109.8 0.59 Allowed 'General case' 0 N--CA 1.521 3.077 0 C-N-CA 125.422 1.489 . . . . 1.0 112.74 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -118.74 170.49 8.94 Favored 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 112.708 -2.042 . . . . 1.0 113.157 -174.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.426 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.4 OUTLIER -100.72 -88.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 CA-C-N 112.864 -1.971 . . . . 1.0 106.491 178.53 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.426 ' H ' HD12 ' A' ' 81' ' ' ILE . 7.9 p30 -57.04 144.91 32.43 Favored 'General case' 1 N--CA 1.546 4.337 0 CA-C-O 117.573 -1.203 . . . . 1.0 110.717 173.55 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mt -101.59 131.54 22.84 Favored Pre-proline 0 N--CA 1.516 2.832 0 CA-C-O 117.521 -1.228 . . . . 1.0 110.561 -174.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -70.61 139.28 36.95 Favored 'Trans proline' 1 C--N 1.462 6.507 0 C-N-CA 123.416 2.744 . . . . 1.0 112.447 174.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.9 m -66.71 -32.45 73.76 Favored 'General case' 0 N--CA 1.522 3.164 0 N-CA-C 114.666 1.358 . . . . 1.0 114.666 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.2 mtt180 -151.14 121.24 7.19 Favored 'General case' 0 C--N 1.386 2.156 0 C-N-CA 126.01 1.724 . . . . 1.0 110.612 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 90' ' ' CYS . 64.2 m -61.97 154.68 67.36 Favored Pre-proline 0 CA--C 1.619 3.611 0 CA-C-O 115.075 -2.393 . . . . 1.0 110.905 172.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.87 -48.2 23.39 Favored 'Trans proline' 2 C--N 1.474 7.166 0 CA-C-N 125.402 2.965 . . . . 1.0 115.218 -178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -120.8 141.31 50.64 Favored 'General case' 0 C--N 1.374 1.634 0 C-N-CA 126.869 2.068 . . . . 1.0 105.835 172.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 87' ' ' CYS . 42.4 t 68.97 131.17 0.03 OUTLIER 'General case' 1 N--CA 1.545 4.305 0 C-N-CA 127.082 2.153 . . . . 1.0 109.371 -174.693 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.0 pttt -119.56 41.19 3.19 Favored 'General case' 0 N--CA 1.507 2.418 0 O-C-N 125.067 1.479 . . . . 1.0 112.83 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t -62.84 125.6 24.51 Favored 'General case' 0 C--N 1.387 2.201 0 C-N-CA 125.879 1.672 . . . . 1.0 113.269 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -87.51 1.11 54.45 Favored 'General case' 0 CA--C 1.575 1.932 0 O-C-N 125.901 2.001 . . . . 1.0 112.167 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -107.71 90.42 3.29 Favored 'General case' 0 C--N 1.387 2.213 0 C-N-CA 126.013 1.725 . . . . 1.0 107.763 177.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.78 143.77 39.13 Favored 'Isoleucine or valine' 0 C--O 1.259 1.557 0 CA-C-N 111.63 -2.532 . . . . 1.0 106.457 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -84.96 129.08 34.86 Favored 'General case' 0 C--N 1.382 2.013 0 C-N-CA 124.935 1.294 . . . . 1.0 110.052 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.24 133.54 64.28 Favored Pre-proline 0 CA--C 1.574 1.892 0 O-C-N 124.567 1.167 . . . . 1.0 112.353 -178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -63.29 153.15 76.15 Favored 'Trans proline' 1 C--N 1.446 5.695 0 C-N-CA 124.025 3.15 . . . . 1.0 114.621 -178.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -113.64 132.58 55.71 Favored 'General case' 0 C--N 1.385 2.113 0 C-N-CA 124.666 1.186 . . . . 1.0 109.531 -177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . 0.459 ' O ' HD12 ' A' ' 20' ' ' LEU . 97.8 m-85 -112.69 124.21 52.06 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 125.79 1.932 . . . . 1.0 109.236 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.596 ' HG3' ' HB3' ' A' ' 24' ' ' ASP . 4.8 mttt -134.71 148.67 50.35 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 125.222 1.409 . . . . 1.0 110.697 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.43 128.92 54.47 Favored 'General case' 0 C--O 1.263 1.793 0 C-N-CA 124.947 1.299 . . . . 1.0 109.888 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.71 129.6 55.36 Favored 'General case' 0 C--O 1.261 1.666 0 O-C-N 125.369 1.668 . . . . 1.0 110.667 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -95.1 116.87 29.28 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 125.685 1.865 . . . . 1.0 112.057 179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 41.7 mttt . . . . . 2 N--CA 1.559 4.989 0 C-N-CA 126.987 2.115 . . . . 1.0 111.864 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.556 0 N-CA-C 110.247 -0.279 . . . . 1.0 110.247 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -111.43 161.94 15.59 Favored 'General case' 0 C--O 1.254 1.295 0 O-C-N 123.993 0.808 . . . . 1.0 111.059 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -69.75 -30.01 67.5 Favored 'General case' 0 C--N 1.368 1.408 0 O-C-N 124.2 0.937 . . . . 1.0 112.754 177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -109.02 119.04 38.37 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 125.637 1.836 . . . . 1.0 111.225 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -119.86 160.08 23.35 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 114.565 -1.198 . . . . 1.0 110.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -89.05 120.91 30.87 Favored 'General case' 0 C--O 1.259 1.593 0 O-C-N 123.881 0.738 . . . . 1.0 111.879 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 23.0 m80 -118.95 137.66 53.34 Favored 'General case' 0 C--O 1.258 1.512 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.954 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 177.86 125.08 0.89 Allowed Glycine 0 CA--C 1.49 -1.499 0 O-C-N 124.968 1.418 . . . . 1.0 112.332 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -86.47 -29.47 22.76 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 125.035 1.079 . . . . 1.0 112.944 178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.46 -27.17 37.96 Favored 'General case' 0 C--N 1.372 1.585 0 O-C-N 124.727 1.267 . . . . 1.0 113.189 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.9 p -82.77 -34.65 27.02 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 124.517 1.136 . . . . 1.0 112.778 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -59.31 -36.98 76.62 Favored 'General case' 0 C--N 1.382 2.015 0 O-C-N 126.509 2.381 . . . . 1.0 112.183 177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.781 ' HA ' HD12 ' A' ' 16' ' ' ILE . 56.3 mtt180 -70.95 -35.36 72.15 Favored 'General case' 0 C--N 1.374 1.662 0 O-C-N 125.11 1.506 . . . . 1.0 112.124 174.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.442 ' HA ' HD11 ' A' ' 17' ' ' ILE . 20.2 mt-10 -65.98 -32.6 74.17 Favored 'General case' 0 C--N 1.37 1.476 0 O-C-N 125.816 1.948 . . . . 1.0 112.448 175.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -69.42 -29.27 66.96 Favored 'General case' 0 C--N 1.379 1.854 0 O-C-N 124.232 0.958 . . . . 1.0 112.982 178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 13' ' ' ARG . 5.5 mt -67.38 -45.9 84.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.374 0 O-C-N 124.443 1.089 . . . . 1.0 111.173 177.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.476 ' H ' HG13 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -79.59 2.71 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 O-C-N 124.317 1.011 . . . . 1.0 113.285 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -109.15 -40.04 5.08 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 115.485 -0.78 . . . . 1.0 112.757 -175.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -20.01 24.37 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 124.823 1.327 . . . . 1.0 112.999 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER -84.99 -9.31 58.18 Favored 'General case' 0 C--O 1.263 1.787 0 N-CA-C 114.031 1.123 . . . . 1.0 114.031 -175.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.98 -8.87 55.03 Favored 'General case' 0 C--N 1.39 2.338 0 C-N-CA 124.299 1.04 . . . . 1.0 112.358 -179.119 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -104.33 -26.03 12.63 Favored 'General case' 0 C--O 1.25 1.12 0 O-C-N 124.84 1.338 . . . . 1.0 113.361 178.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.15 -174.38 33.87 Favored Glycine 0 C--O 1.259 1.697 0 O-C-N 124.508 1.13 . . . . 1.0 112.403 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -110.72 132.22 54.38 Favored 'General case' 0 C--O 1.26 1.64 0 C-N-CA 122.601 0.36 . . . . 1.0 110.294 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.462 ' HD1' ' HB3' ' A' ' 29' ' ' GLU . 39.0 m-85 -140.05 142.59 36.16 Favored 'General case' 0 C--O 1.263 1.764 0 CA-C-N 115.304 -0.862 . . . . 1.0 109.9 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.5 160.33 77.6 Favored Pre-proline 0 CA--C 1.555 1.139 0 CA-C-O 117.627 -1.177 . . . . 1.0 110.612 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -53.13 -43.23 58.82 Favored 'Trans proline' 0 C--N 1.414 3.993 0 C-N-CA 122.792 2.328 . . . . 1.0 115.348 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.8 m -63.57 -29.85 71.05 Favored 'General case' 0 C--N 1.39 2.328 0 O-C-N 124.613 1.196 . . . . 1.0 111.909 174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' HB3' ' HD1' ' A' ' 25' ' ' TYR . 3.4 mt-10 -76.64 -37.21 56.68 Favored 'General case' 0 C--N 1.382 2.016 0 O-C-N 125.469 1.73 . . . . 1.0 111.9 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD11 HD11 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -68.63 -3.49 12.08 Favored 'General case' 0 C--N 1.382 2.008 0 O-C-N 126.194 2.184 . . . . 1.0 111.76 171.266 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -100.96 -28.31 12.82 Favored 'General case' 0 C--N 1.37 1.465 0 O-C-N 124.9 1.375 . . . . 1.0 111.71 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.0 mtt180 -64.68 -45.95 84.48 Favored 'General case' 0 C--N 1.384 2.076 0 O-C-N 124.622 1.201 . . . . 1.0 112.001 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -79.86 77.34 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.265 1.92 0 C-N-CA 124.328 1.051 . . . . 1.0 109.779 174.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HB3' ' HG2' ' A' ' 36' ' ' MET . 0.1 OUTLIER 167.77 -178.96 0.03 OUTLIER 'General case' 0 C--O 1.255 1.355 0 O-C-N 122.048 -0.407 . . . . 1.0 110.79 -175.454 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' H ' HD23 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -116.82 45.46 1.84 Allowed 'General case' 0 C--O 1.257 1.462 0 O-C-N 125.089 1.493 . . . . 1.0 110.508 175.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.507 ' HG2' ' HB3' ' A' ' 34' ' ' LEU . 1.5 ptp -117.27 161.0 20.21 Favored 'General case' 0 C--O 1.25 1.098 0 CA-C-N 115.862 -0.608 . . . . 1.0 111.744 -176.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -103.56 147.77 26.78 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 124.941 1.401 . . . . 1.0 109.341 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.81 -125.86 2.6 Favored Glycine 0 C--O 1.262 1.879 0 O-C-N 124.306 1.004 . . . . 1.0 111.805 -177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 56.81 67.8 0.94 Allowed 'General case' 0 N--CA 1.517 2.878 0 C-N-CA 124.916 1.287 . . . . 1.0 111.771 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.92 53.27 0.86 Allowed Glycine 0 C--N 1.351 1.369 0 CA-C-N 114.842 -1.072 . . . . 1.0 113.587 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' HG12 ' A' ' 45' ' ' ILE . 15.3 p -118.75 -17.5 9.18 Favored 'General case' 0 C--O 1.247 0.945 0 O-C-N 125.235 1.197 . . . . 1.0 112.332 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -64.46 -42.0 96.2 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.4 1.063 . . . . 1.0 113.324 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -72.92 -28.11 62.26 Favored 'General case' 0 C--N 1.367 1.361 0 O-C-N 125.341 1.651 . . . . 1.0 113.219 178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.03 -42.73 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 O-C-N 125.018 1.449 . . . . 1.0 111.601 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 41' ' ' SER . 18.0 mm -74.06 -39.08 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 O-C-N 125.36 1.662 . . . . 1.0 112.284 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 21.3 mt -64.2 -34.88 79.1 Favored 'General case' 0 C--O 1.242 0.697 0 O-C-N 125.538 1.773 . . . . 1.0 112.44 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -75.73 -26.89 57.89 Favored 'General case' 0 C--N 1.371 1.533 0 O-C-N 125.766 1.916 . . . . 1.0 111.312 173.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -29.52 68.91 Favored 'General case' 0 C--N 1.396 2.591 0 O-C-N 124.64 1.213 . . . . 1.0 111.729 173.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.94 -32.68 74.1 Favored 'General case' 0 C--N 1.377 1.794 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 174.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.17 -36.19 82.79 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 126.72 2.512 . . . . 1.0 112.635 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -74.93 -44.13 45.17 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 124.86 1.264 . . . . 1.0 112.095 179.171 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.451 ' HA ' HD12 ' A' ' 55' ' ' ILE . 6.8 mt -72.64 -32.81 42.58 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 O-C-N 125.266 1.604 . . . . 1.0 111.713 -177.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -64.31 -31.78 73.12 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.121 1.513 . . . . 1.0 112.795 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -71.02 -33.98 70.88 Favored 'General case' 0 C--N 1.375 1.702 0 O-C-N 124.892 1.37 . . . . 1.0 112.935 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 52' ' ' ILE . 2.6 mt -84.3 -39.68 14.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.928 0 O-C-N 125.024 1.453 . . . . 1.0 111.534 179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' MET . . . -59.17 -26.6 64.91 Favored 'General case' 0 CA--C 1.567 1.614 0 O-C-N 125.878 1.986 . . . . 1.0 113.574 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -88.65 -35.7 16.66 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 125.908 2.005 . . . . 1.0 115.102 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -70.06 -20.11 63.24 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 114.128 -1.396 . . . . 1.0 111.792 167.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 55' ' ' ILE . 0.2 OUTLIER -105.14 11.26 33.38 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-N 114.012 -1.449 . . . . 1.0 112.903 178.03 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.35 -60.51 2.35 Favored Glycine 0 C--N 1.375 2.699 0 CA-C-O 118.661 -1.077 . . . . 1.0 115.294 179.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 56' ' ' ALA . 20.5 mtm -39.54 115.76 0.54 Allowed 'General case' 0 C--N 1.391 2.383 0 O-C-N 127.526 2.545 . . . . 1.0 111.252 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.56 134.92 42.06 Favored 'Isoleucine or valine' 0 C--O 1.251 1.164 0 CA-C-N 114.529 -1.214 . . . . 1.0 111.174 -171.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.626 ' HG ' ' HG ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -93.76 126.93 39.21 Favored 'General case' 0 C--O 1.259 1.571 0 O-C-N 124.978 1.424 . . . . 1.0 110.395 177.262 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.76 128.67 47.99 Favored 'General case' 0 C--O 1.26 1.616 0 O-C-N 124.237 0.96 . . . . 1.0 111.03 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -111.39 127.69 68.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.356 0 O-C-N 124.503 1.127 . . . . 1.0 109.276 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.03 135.63 44.74 Favored Pre-proline 0 C--N 1.366 1.291 0 O-C-N 125.342 1.651 . . . . 1.0 110.591 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -68.43 124.89 12.13 Favored 'Trans proline' 0 C--N 1.404 3.452 0 C-N-CA 122.26 1.973 . . . . 1.0 116.073 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.427 ' HB2' ' HG3' ' A' ' 98' ' ' PRO . . . -69.72 141.09 53.54 Favored 'General case' 0 C--N 1.363 1.158 0 CA-C-N 111.116 -2.765 . . . . 1.0 110.004 176.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -139.77 158.12 44.63 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-N 115.038 -0.983 . . . . 1.0 111.318 -173.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 93.1 m -89.33 125.34 35.08 Favored 'General case' 0 C--O 1.265 1.887 0 O-C-N 125.21 1.569 . . . . 1.0 108.857 171.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -91.22 -4.33 56.12 Favored 'General case' 0 C--O 1.259 1.601 0 N-CA-C 113.886 1.069 . . . . 1.0 113.886 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -95.54 -49.15 5.53 Favored 'General case' 0 C--N 1.361 1.107 0 N-CA-C 113.367 0.877 . . . . 1.0 113.367 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 7.2 p -95.5 -20.75 18.78 Favored 'General case' 0 C--O 1.255 1.372 0 O-C-N 125.384 1.677 . . . . 1.0 112.817 -178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 96.97 -18.33 57.71 Favored Glycine 0 C--N 1.374 2.69 0 O-C-N 125.026 1.454 . . . . 1.0 113.609 -177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.54 131.42 34.01 Favored 'General case' 0 C--N 1.395 2.584 0 O-C-N 125.63 1.429 . . . . 1.0 111.835 178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -107.2 127.42 62.97 Favored 'Isoleucine or valine' 0 C--O 1.256 1.433 0 O-C-N 125.434 1.709 . . . . 1.0 110.147 -175.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -96.21 149.68 21.38 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 125.589 1.806 . . . . 1.0 111.22 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -66.46 148.15 52.28 Favored 'General case' 0 C--O 1.26 1.646 0 O-C-N 124.379 1.049 . . . . 1.0 110.55 177.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.25 110.38 2.2 Favored 'General case' 0 C--O 1.26 1.628 0 O-C-N 124.499 1.124 . . . . 1.0 110.979 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -122.5 177.51 5.38 Favored 'General case' 0 CA--C 1.551 1.011 0 CA-C-N 113.813 -1.54 . . . . 1.0 110.006 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.55 HD12 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -105.64 -82.37 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.134 0 CA-C-N 113.934 -1.484 . . . . 1.0 109.755 -179.089 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.55 ' H ' HD12 ' A' ' 81' ' ' ILE . 18.9 m-80 -64.66 146.82 54.15 Favored 'General case' 0 C--O 1.27 2.177 0 O-C-N 124.592 1.183 . . . . 1.0 108.978 172.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 mt -112.41 137.3 21.54 Favored Pre-proline 0 CA--C 1.546 0.825 0 O-C-N 124.352 1.033 . . . . 1.0 110.504 -173.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -73.27 152.43 50.05 Favored 'Trans proline' 0 C--N 1.411 3.822 0 C-N-CA 121.855 1.703 . . . . 1.0 114.245 171.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 61.5 m -84.2 -20.28 32.6 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 114.291 -1.322 . . . . 1.0 112.335 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -143.73 144.25 31.76 Favored 'General case' 0 C--O 1.261 1.679 0 O-C-N 124.286 0.991 . . . . 1.0 110.788 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 90' ' ' CYS . 10.9 t -77.45 141.15 65.31 Favored Pre-proline 0 C--O 1.255 1.351 0 O-C-N 124.332 1.02 . . . . 1.0 110.26 176.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -69.74 -14.91 36.81 Favored 'Trans proline' 0 C--N 1.405 3.526 0 C-N-CA 122.028 1.818 . . . . 1.0 115.461 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -69.26 0.74 Allowed 'General case' 0 C--N 1.364 1.219 0 O-C-N 124.715 1.259 . . . . 1.0 110.56 178.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 87' ' ' CYS . 6.9 p -118.58 -170.2 1.85 Allowed 'General case' 0 C--O 1.257 1.49 0 O-C-N 124.101 0.876 . . . . 1.0 110.329 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -102.73 24.55 10.4 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 114.999 -1.0 . . . . 1.0 111.824 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.28 112.9 4.79 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.348 178.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -92.51 12.0 24.44 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 113.813 -1.54 . . . . 1.0 113.803 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -91.76 88.04 6.52 Favored 'General case' 0 C--O 1.26 1.643 0 CA-C-O 121.98 0.895 . . . . 1.0 112.294 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.5 mp -115.2 138.52 45.24 Favored 'Isoleucine or valine' 0 C--O 1.246 0.908 0 CA-C-N 114.134 -1.394 . . . . 1.0 109.427 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.82 132.96 37.71 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 125.582 1.801 . . . . 1.0 109.224 174.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -79.65 142.31 57.17 Favored Pre-proline 0 C--N 1.365 1.254 0 O-C-N 123.654 0.596 . . . . 1.0 112.041 -176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.427 ' HG3' ' HB2' ' A' ' 68' ' ' ALA . 38.7 Cg_exo -71.28 163.28 39.66 Favored 'Trans proline' 0 C--N 1.411 3.831 0 C-N-CA 121.895 1.73 . . . . 1.0 115.206 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -110.51 133.86 52.9 Favored 'General case' 0 C--O 1.259 1.583 0 CA-C-N 114.032 -1.44 . . . . 1.0 109.937 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -116.59 126.48 53.33 Favored 'General case' 0 C--O 1.25 1.123 0 O-C-N 124.946 1.404 . . . . 1.0 110.18 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -140.24 156.77 46.35 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 124.595 1.184 . . . . 1.0 111.122 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.626 ' HG ' ' HG ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -122.15 131.17 53.82 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 124.226 0.953 . . . . 1.0 110.001 177.817 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -121.83 141.09 51.59 Favored 'General case' 0 C--O 1.253 1.265 0 O-C-N 124.456 1.097 . . . . 1.0 110.38 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 52.0 mtt180 -94.41 117.65 30.43 Favored 'General case' 0 C--O 1.257 1.493 0 O-C-N 125.149 1.531 . . . . 1.0 111.486 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 47.1 mttt . . . . . 2 N--CA 1.559 5.015 0 C-N-CA 126.937 2.095 . . . . 1.0 111.95 179.917 . . . . . . . . 1 1 . 1 stop_ save_