data_2ljp_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 2ljp _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 ' 17' ' ' GLN . . . . . 0.437 ' O ' HG11 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.243 0.068 . . . . 74.31 111.104 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.26 -40.33 97.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.162 0.506 . . . . 73.41 110.278 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.614 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 23.9 m -72.55 -44.68 61.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.942 -0.572 . . . . 62.42 110.06 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -58.58 -44.28 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.407 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.875 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 9.4 p -69.73 -37.75 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.573 0.225 . . . . 72.13 110.917 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -72.92 -21.19 60.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.551 -0.295 . . . . 73.2 111.351 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.6 mm100 -70.32 -48.36 56.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.603 0.24 . . . . 73.23 110.74 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.54 79.66 24.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-O 121.191 0.519 . . . . 63.1 110.977 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HB2' HD13 ' A' ' 36' ' ' LEU . 95.6 Cg_endo -98.84 128.2 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 123.141 2.561 . . . . 75.13 112.61 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.32 106.86 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.497 -0.557 . . . . 73.33 109.497 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -77.51 115.15 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 75.1 110.674 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HB2' ' ND1' ' A' ' 112' ' ' HIS . . . -148.04 101.11 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.776 -0.647 . . . . 65.35 110.147 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.62 177.79 40.9 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.894 -0.594 . . . . 65.22 111.824 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -65.63 140.58 97.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 122.334 0.254 . . . . 74.42 110.342 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 10.7 Cg_endo -53.87 -22.99 25.69 Favored 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 123.343 2.695 . . . . 65.42 113.799 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -97.19 -4.27 39.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 73.33 111.649 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 tt -152.39 100.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.601 0.715 . . . . 74.42 109.425 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.5 m -90.66 107.05 18.92 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.748 -0.66 . . . . 74.33 111.943 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 35' ' ' ILE . 4.2 mp -87.38 105.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.346 -0.612 . . . . 75.32 109.346 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -85.32 158.65 20.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 63.23 110.414 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.5 117.01 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.727 -0.749 . . . . 44.34 111.979 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.875 ' HD2' ' HA ' ' A' ' 21' ' ' VAL . 3.8 tpm_? -100.15 112.63 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.229 -0.285 . . . . 74.55 110.229 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.37 94.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 74.04 109.833 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -152.14 104.38 2.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.559 -0.746 . . . . 73.11 110.121 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 t -82.12 83.81 7.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.493 0.663 . . . . 63.13 109.608 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -36.27 12.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.443 -0.798 . . . . 74.13 109.343 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.18 54.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.832 -0.699 . . . . 75.21 111.441 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -119.35 95.55 49.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.66 -0.496 . . . . 74.2 109.66 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.519 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 1.1 Cg_endo -82.17 117.44 2.84 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.984 2.456 . . . . 52.11 111.563 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HE ' ' HB2' ' A' ' 46' ' ' ARG . 4.6 ptm180 -127.32 152.25 47.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.451 -0.34 . . . . 74.12 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -110.04 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.631 . . . . 74.11 109.688 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.08 70.46 0.21 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.399 -0.905 . . . . 61.52 112.414 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 66' ' ' LYS . 60.6 tp -69.53 114.17 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.492 . . . . 73.02 110.759 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 m -108.78 129.87 55.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.508 -0.769 . . . . 73.34 109.774 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.4 138.9 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 50.54 110.57 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.89 157.77 15.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.53 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.51 -16.26 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.294 0.569 . . . . 74.14 110.742 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 19.7 ptmt -83.89 -21.76 31.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 74.04 110.469 176.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.497 ' OD1' ' HG3' ' A' ' 54' ' ' LYS . 4.1 m-20 -84.11 -51.33 7.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.542 . . . . 72.35 110.039 -177.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -111.97 99.53 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.858 -0.794 . . . . 72.32 108.858 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -82.36 -20.63 36.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.94 -0.573 . . . . 71.32 111.583 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.455 ' HD2' ' HA ' ' A' ' 58' ' ' ARG . 13.8 tpt180 -86.99 112.25 21.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.743 -0.466 . . . . 73.31 109.743 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.59 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.691 -0.686 . . . . 74.23 112.792 -173.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.22 -33.47 73.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.852 0.358 . . . . 75.2 111.27 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' HG12 ' A' ' 65' ' ' ILE . 24.4 mm-40 -76.91 -11.82 59.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.499 -0.318 . . . . 71.44 110.858 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -61.73 -43.8 98.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.067 -0.716 . . . . 71.25 109.067 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.56 -31.88 71.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.119 -0.946 . . . . 65.12 109.634 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -62.12 -44.55 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.472 -0.785 . . . . 73.14 110.373 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 61' ' ' GLU . 50.1 mm -65.05 -45.33 94.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.809 -0.632 . . . . 73.22 111.081 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.535 ' HG2' HD23 ' A' ' 49' ' ' LEU . 36.8 mtmt -69.2 -29.96 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.714 0.292 . . . . 74.43 110.756 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -60.25 -59.53 5.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.02 0.438 . . . . 65.34 110.17 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -49.72 67.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.084 -0.962 . . . . 72.25 110.92 -174.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.0 p -68.14 -57.68 5.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.472 . . . . 74.04 111.96 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.94 -37.7 88.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.555 -0.293 . . . . 64.35 111.689 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 1.2 tt0 -70.61 -26.13 63.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 73.03 110.66 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.1 m -75.57 -42.69 51.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.817 0.341 . . . . 62.23 110.372 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.75 -17.63 64.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 73.3 111.77 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 7.2 ptm180 -89.76 -13.48 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 62.14 110.828 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -110.17 -23.12 11.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.94 0.4 . . . . 72.13 111.189 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.03 40.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.272 0.558 . . . . 73.14 109.978 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.19 -17.04 63.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.278 -0.874 . . . . 72.2 111.462 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -77.19 -38.45 51.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.285 0.564 . . . . 75.22 110.584 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -82.28 -36.8 26.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 72.12 111.704 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.0 pp -84.27 140.66 39.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.372 . . . . 60.43 111.559 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 1.7 Cg_endo -85.76 174.51 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.5 2.8 . . . . 74.23 112.02 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.519 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . . . -86.69 71.25 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.229 0.538 . . . . 74.04 111.05 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 66.5 mtt -127.89 -176.27 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.666 -0.697 . . . . 72.42 110.513 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -96.14 120.92 37.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.964 -0.562 . . . . 75.14 109.737 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -122.94 88.94 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.357 0.599 . . . . 73.21 111.233 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.425 ' CG2' HG12 ' A' ' 21' ' ' VAL . 78.2 t -86.71 104.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.759 -0.655 . . . . 74.42 109.555 172.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 61.7 t -91.99 130.81 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.799 -0.637 . . . . 74.54 109.984 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.57 107.15 22.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.054 0.454 . . . . 55.55 110.49 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB2' HG13 ' A' ' 93' ' ' VAL . . . -72.43 123.86 23.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.605 . . . . 74.3 109.769 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 10.8 mmpt? -85.64 172.51 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.978 0.418 . . . . 74.32 110.421 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.72 105.89 6.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.829 -0.804 . . . . 75.3 108.829 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.18 -20.61 2.1 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.587 -0.816 . . . . 72.05 112.556 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG13 ' HB2' ' A' ' 89' ' ' ALA . 13.5 p -65.05 -27.63 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.27 0.557 . . . . 74.24 110.915 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.46 14.35 13.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 54.41 111.054 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.09 -9.21 31.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.526 0.679 . . . . 74.55 109.617 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.12 171.95 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.327 -0.851 . . . . 63.22 111.686 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.441 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 15.9 t70 -89.71 158.61 17.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 74.33 109.293 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -56.54 -34.65 67.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.249 0.547 . . . . 74.03 110.477 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 18.4 ttp180 -68.43 -45.0 73.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.665 . . . . 71.12 110.154 175.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.1 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.589 -0.732 . . . . 54.31 111.832 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.2 mt -61.41 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.03 0.443 . . . . 73.31 110.145 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.6 m -72.84 -31.06 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 75.44 110.324 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 11.3 mm-40 -66.54 -29.83 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 73.11 111.16 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.4 -13.27 38.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 73.33 111.071 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.13 -51.76 65.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.537 . . . . 75.11 110.932 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.518 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -65.29 -25.29 67.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.497 -0.32 . . . . 73.53 110.706 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.518 ' HD2' ' OE1' ' A' ' 106' ' ' GLU . 28.6 mmmt -66.17 -52.54 47.27 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.319 -0.4 . . . . 74.43 110.189 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' HB2' HD13 ' A' ' 35' ' ' ILE . 4.3 pp -73.76 -31.61 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 64.32 110.898 -178.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -60.82 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 75.01 110.474 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.38 -37.39 85.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 55.32 110.815 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -55.1 -53.67 52.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 74.54 111.202 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.446 ' ND1' ' HB2' ' A' ' 28' ' ' ALA . 2.2 t60 -80.45 -27.25 37.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.629 -0.428 . . . . 72.33 110.668 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 49.6 t -63.27 -42.34 99.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 64.32 110.349 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.04 -34.74 75.34 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.413 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.8 tp -81.27 -31.37 33.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.887 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.42 -23.98 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.994 0.426 . . . . 73.45 111.034 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 25.4 mmm180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 44.3 110.134 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 109.827 -0.435 . . . . 64.53 109.827 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -73.99 -20.19 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.939 -0.573 . . . . 72.23 110.735 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -85.01 -39.59 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.32 0.581 . . . . 72.22 109.661 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.11 -35.63 76.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 72.32 110.899 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.77 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 7.3 p -70.97 -18.54 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.12 111.37 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -75.19 -23.49 57.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.379 -0.373 . . . . 65.22 111.27 -175.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.45 -68.41 0.3 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.014 0.435 . . . . 64.22 110.927 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.611 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 53.3 tt0 -151.34 88.07 4.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.947 -0.569 . . . . 73.34 109.498 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.9 Cg_endo -83.54 148.58 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.808 2.339 . . . . 73.44 113.319 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -74.54 110.11 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.855 -0.794 . . . . 64.45 108.855 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 27' ' ' ARG . 21.7 ttm180 -74.2 101.03 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.417 0.448 . . . . 73.4 110.463 -176.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.548 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -107.95 147.12 31.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.335 -0.393 . . . . 74.31 110.353 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.465 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 97.14 -131.36 10.58 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.505 -0.855 . . . . 61.35 112.607 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.558 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -133.9 168.89 15.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.058 -0.349 . . . . 61.21 110.058 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 43.3 Cg_endo -69.98 0.13 6.26 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 74.01 112.548 174.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.41 -49.59 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.472 0.654 . . . . 74.12 109.461 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -120.54 99.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.644 0.735 . . . . 73.22 109.088 172.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 m -101.8 112.66 25.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.354 -0.839 . . . . 74.12 111.459 -172.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.582 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 4.6 mp -92.58 115.09 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.207 -0.664 . . . . 63.45 109.207 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.682 ' HB2' HG12 ' A' ' 86' ' ' VAL . 83.8 mt -96.32 119.63 35.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.372 . . . . 73.44 110.228 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.81 136.71 13.19 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.272 -0.965 . . . . 73.34 112.969 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.77 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mmm180 -143.97 112.74 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.238 -0.282 . . . . 74.33 110.238 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.29 125.92 27.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.093 -0.503 . . . . 64.54 110.409 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 42' ' ' LEU . 53.8 t30 -126.17 146.74 49.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.63 32.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 73.43 112.627 -173.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 40' ' ' ASN . 83.5 mt -107.01 -20.22 13.38 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.057 -0.349 . . . . 64.02 110.057 174.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.4 25.44 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 111.31 -0.716 . . . . 72.41 111.31 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HD2' ' OD2' ' A' ' 84' ' ' ASP . 30.6 t60 -106.66 104.05 49.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.623 0.249 . . . . 71.43 110.509 -171.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -88.72 95.82 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.483 2.122 . . . . 72.53 112.841 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.509 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 21.3 mmt180 -141.96 167.61 21.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.966 -0.561 . . . . 74.52 110.456 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 tt -122.02 137.43 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 75.43 109.543 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.6 77.85 0.36 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.549 -0.834 . . . . 75.0 112.201 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -70.89 108.14 4.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.035 0.445 . . . . 74.53 110.36 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -98.97 111.01 23.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.825 -0.625 . . . . 73.33 110.485 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.749 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 30.6 m -128.65 135.62 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.073 -0.512 . . . . 73.42 110.783 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.97 146.14 23.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.693 -0.484 . . . . 64.24 109.693 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.617 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.27 5.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.485 0.55 . . . . 74.55 112.485 -174.203 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -101.96 -31.37 10.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.118 -0.233 . . . . 75.05 111.048 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.518 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 6.7 p-10 -105.44 -28.05 11.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 63.25 110.867 -178.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.749 ' HB ' ' HB ' ' A' ' 51' ' ' VAL . 52.1 t -136.64 98.67 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 172.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.617 ' HB3' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -118.78 -33.09 4.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.426 0.528 . . . . 73.44 112.426 -167.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.711 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 60.3 mtt180 -85.39 148.41 26.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.759 0.314 . . . . 75.14 110.654 -174.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.4 87.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 64.15 110.387 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.98 -31.87 71.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.736 -0.666 . . . . 75.13 110.636 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.711 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 55.2 mt-10 -73.63 -44.7 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 70.55 110.151 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.01 -12.24 60.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.384 -0.371 . . . . 65.15 111.596 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -84.0 -48.98 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.414 -0.588 . . . . 71.34 109.414 170.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -54.62 -51.44 65.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.874 -1.057 . . . . 75.24 111.899 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 61' ' ' GLU . 35.8 mm -66.42 -28.25 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 75.22 110.974 -175.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 50.9 mttp -66.35 -46.41 76.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.693 0.283 . . . . 72.05 110.936 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -65.87 -32.1 73.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.848 0.356 . . . . 71.32 110.63 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.55 -45.7 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.957 -0.565 . . . . 73.32 110.045 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -81.63 -51.96 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.287 0.477 . . . . 61.14 112.287 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -66.84 -31.31 71.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.021 0.378 . . . . 62.43 112.021 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -65.57 -35.66 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.525 -0.546 . . . . 74.54 109.525 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -70.38 -33.91 71.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.839 -0.618 . . . . 61.14 110.376 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.582 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 45.1 m-85 -93.32 17.31 11.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 72.31 111.201 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -128.52 -50.21 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 61.54 110.362 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.21 -26.38 42.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.932 -0.576 . . . . 65.21 111.101 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.3 44.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.265 0.555 . . . . 72.3 109.593 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -29.79 57.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.114 -0.948 . . . . 54.03 112.831 -170.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -84.27 22.55 1.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.046 0.45 . . . . 75.5 111.276 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -143.96 30.15 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.552 -0.749 . . . . 64.01 109.926 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.9 pp -145.01 154.65 54.99 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.098 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.7 Cg_endo -86.15 163.55 10.02 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.214 2.61 . . . . 64.45 112.044 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.59 88.39 7.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 64.2 110.977 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -151.74 163.74 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.934 -0.576 . . . . 74.31 110.375 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 6.8 m-20 -73.6 118.59 16.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.303 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -91.75 93.83 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.314 -0.403 . . . . 74.31 110.642 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 36' ' ' LEU . 3.9 p -84.56 112.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.581 0.705 . . . . 55.04 109.773 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.7 114.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 74.22 110.233 -176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.3 108.04 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.351 -0.386 . . . . 61.13 110.007 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB2' HG22 ' A' ' 93' ' ' VAL . . . -87.68 113.99 23.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.037 -0.528 . . . . 62.01 110.188 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.53 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.2 mmpt? -85.26 173.03 10.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 70.5 110.192 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 20.3 pttp -68.37 113.2 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.372 0.606 . . . . 73.21 110.541 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.511 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 143.11 -31.26 1.97 Allowed Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.549 -0.75 . . . . 72.33 112.415 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.466 HG22 ' HB2' ' A' ' 89' ' ' ALA . 35.5 m -60.97 -30.51 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.71 0.291 . . . . 73.13 111.683 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.93 -4.23 56.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 65.34 110.814 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.63 -29.49 13.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.507 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 97.4 mt -53.95 137.35 39.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.664 -0.698 . . . . 74.21 111.454 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.563 ' OD2' ' HG2' ' A' ' 99' ' ' ARG . 24.5 t70 -76.06 168.95 19.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.717 -0.674 . . . . 74.44 110.327 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -56.06 -40.42 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.328 . . . . 64.25 110.835 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.563 ' HG2' ' OD2' ' A' ' 97' ' ' ASP . 30.0 ptt180 -75.32 -30.23 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.909 0.385 . . . . 71.1 110.702 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.79 74.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.912 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.01 -26.1 61.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.318 . . . . 73.51 110.402 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.0 t -68.67 -37.97 80.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.686 -0.487 . . . . 70.2 109.686 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -80.29 7.46 9.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 74.44 110.942 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.561 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -115.04 -35.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.421 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.1 -45.49 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 64.02 111.477 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -72.18 -16.07 61.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.951 -0.3 . . . . 55.13 111.101 -175.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.7 mmmt -73.97 -35.05 64.46 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.41 -0.589 . . . . 71.23 109.41 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.499 HD21 ' O ' ' A' ' 104' ' ' ALA . 1.8 mm? -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.038 -0.528 . . . . 64.01 110.236 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.594 . . . . 74.35 112.122 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.6 mtt-85 -65.9 -42.27 90.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.654 -0.418 . . . . 72.03 110.254 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.465 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 22.1 tpp180 -69.87 -39.17 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.705 -0.48 . . . . 74.24 109.705 175.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 25.9 t60 -54.88 -46.34 74.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.474 -0.785 . . . . 75.42 111.056 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 7.4 t -73.02 -24.83 60.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 64.31 111.299 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -88.55 -38.56 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 52.41 111.702 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 28' ' ' ALA . 47.9 tp -66.14 -43.56 86.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.409 . . . . 74.31 111.741 -174.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.19 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.177 0.436 . . . . 73.45 112.177 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.759 0.314 . . . . 73.22 110.854 -178.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.488 ' NE2' ' HB3' ' A' ' 84' ' ' ASP . 18.4 mt-30 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 120.193 0.044 . . . . 62.24 111.094 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -52.76 -38.07 60.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.293 0.37 . . . . 71.53 111.518 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -77.06 -30.49 55.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 52.53 111.049 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -82.67 -43.16 17.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.071 0.462 . . . . 75.1 110.914 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 25' ' ' PRO . 9.5 p -70.11 -19.3 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.564 . . . . 73.42 110.219 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.13 -23.79 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 71.44 110.36 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -81.59 -63.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 73.54 110.106 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -140.0 101.87 6.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.604 . . . . 71.44 110.553 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HB3' HG21 ' A' ' 21' ' ' VAL . 65.7 Cg_endo -96.64 156.68 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.478 2.785 . . . . 62.33 113.389 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -83.68 98.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.825 -1.176 . . . . 75.13 107.825 167.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -73.54 113.84 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.653 -172.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.31 -176.48 3.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.676 -0.693 . . . . 74.01 110.166 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.11 -145.76 17.8 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.683 -0.77 . . . . 70.35 112.301 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.433 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.0 p -138.14 170.59 10.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.129 -0.323 . . . . 70.4 110.129 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 34.6 Cg_exo -62.27 -16.68 52.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.588 2.192 . . . . 33.44 112.606 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -85.16 -40.64 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.046 0.45 . . . . 73.41 110.411 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.486 HD11 HD22 ' A' ' 108' ' ' LEU . 11.4 tt -144.76 119.33 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.794 -0.639 . . . . 62.21 110.012 -177.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 m -102.37 132.52 48.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.934 -0.576 . . . . 74.41 111.446 -172.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 87' ' ' VAL . 3.0 mp -110.81 123.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.917 0.389 . . . . 74.23 110.228 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 111.8 24.03 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.313 -0.625 . . . . 64.45 109.313 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.449 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -109.77 138.65 14.96 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.193 -1.003 . . . . 64.35 114.046 -174.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -147.99 156.94 43.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.427 -0.953 . . . . 75.21 108.427 169.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.552 HD21 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -122.52 136.24 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.302 0.572 . . . . 64.54 111.823 -171.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -157.68 134.03 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 74.23 108.7 173.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.95 82.05 6.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.276 0.56 . . . . 71.04 109.933 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.1 tp -99.61 -12.86 19.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 73.31 110.301 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.87 -75.42 2.37 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.722 -0.672 . . . . 74.32 111.816 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -86.88 116.03 64.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 73.21 110.198 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -90.51 173.75 3.09 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.107 2.538 . . . . 62.11 113.772 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.509 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 3.0 mmp_? -123.91 174.88 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.473 -0.936 . . . . 64.32 108.473 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.2 tt -135.45 103.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.741 0.781 . . . . 75.22 110.175 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.72 134.59 13.52 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.484 -0.78 . . . . 73.32 111.769 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' HG ' HG22 ' A' ' 51' ' ' VAL . 41.1 tp -143.54 89.17 2.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.126 0.489 . . . . 44.34 110.037 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -89.45 91.03 8.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 64.12 110.211 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.495 HG22 ' HG ' ' A' ' 49' ' ' LEU . 83.9 t -96.65 111.86 27.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.528 -0.76 . . . . 53.34 109.959 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.18 126.12 30.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.258 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -77.91 4.83 11.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.132 0.491 . . . . 74.23 110.894 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -93.6 -21.42 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 74.33 110.261 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 33.7 p30 -116.07 -26.35 7.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.377 -0.374 . . . . 61.44 110.775 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 94' ' ' ALA . 45.8 t -122.5 85.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.507 0.67 . . . . 70.43 109.2 171.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -101.42 41.36 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.715 0.769 . . . . 73.41 109.64 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.602 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 3.1 mmp_? -108.84 162.69 13.95 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.793 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.45 -58.45 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.022 0.439 . . . . 74.45 111.445 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -92.1 -24.65 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.328 0.585 . . . . 73.44 109.867 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 22.0 mp0 -69.81 -26.69 64.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.314 -0.857 . . . . 72.01 109.16 175.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.14 -0.936 . . . . 71.04 108.859 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.75 -32.27 67.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.315 -0.857 . . . . 74.11 110.368 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -59.14 -50.22 74.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.703 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -63.35 -38.55 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.348 0.594 . . . . 72.41 110.242 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -67.69 -39.26 84.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 63.2 111.531 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -80.98 -37.22 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.485 -0.325 . . . . 74.41 111.607 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -46.54 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.984 -0.376 . . . . 70.23 109.984 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 p -65.15 -48.18 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 71.25 111.388 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -64.01 -33.14 75.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 75.42 111.798 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.01 -57.91 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.496 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 17.5 p -64.66 -41.01 96.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 72.25 111.812 -175.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -55.11 -47.22 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.348 -0.387 . . . . 62.52 111.533 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -89.11 -21.06 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.358 -0.383 . . . . 63.11 111.173 -173.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.08 -26.88 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 51.51 110.402 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 72' ' ' SER . 7.7 mmm180 -109.34 23.95 13.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 72.24 109.936 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -68.82 -3.26 11.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.099 -0.5 . . . . 73.23 112.182 -172.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -88.46 -27.54 21.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.919 0.39 . . . . 72.11 110.276 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -112.09 -13.3 13.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.882 -0.599 . . . . 74.03 110.152 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tt -105.23 111.53 65.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.724 -0.671 . . . . 72.23 109.232 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.12 139.35 89.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.882 2.388 . . . . 72.11 112.524 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.6 97.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.641 . . . . 74.33 111.282 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.6 ' HE1' ' HZ ' ' A' ' 85' ' ' PHE . 16.5 ptt? -154.05 162.46 41.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.696 . . . . 73.44 109.642 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.509 ' OD1' ' HB2' ' A' ' 46' ' ' ARG . 11.6 t70 -77.93 143.9 37.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.418 . . . . 74.45 111.955 -172.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.6 ' HZ ' ' HE1' ' A' ' 83' ' ' MET . 80.3 m-85 -141.38 139.49 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 75.15 109.602 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.61 111.53 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.023 0.44 . . . . 64.32 110.782 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.469 HG23 HG13 ' A' ' 35' ' ' ILE . 54.6 t -96.96 130.7 45.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.116 -0.493 . . . . 53.41 110.249 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 63.1 t -116.49 129.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.491 -0.322 . . . . 74.25 110.16 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.03 129.95 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.837 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -99.07 172.02 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.977 -0.556 . . . . 73.42 110.089 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 18.5 pttp -82.55 59.12 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.387 0.613 . . . . 74.3 111.331 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -164.41 14.64 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.567 -0.742 . . . . 74.25 112.382 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.54 5.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 121.252 0.549 . . . . 74.02 110.455 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 56' ' ' VAL . . . -81.56 -30.65 32.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.273 0.559 . . . . 72.14 110.659 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -116.55 106.59 13.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.536 -0.756 . . . . 62.42 109.757 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.2 158.25 42.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.148 0.499 . . . . 72.34 111.932 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.83 162.4 14.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.394 -0.821 . . . . 75.44 109.921 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -62.07 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.738 -0.21 . . . . 74.42 111.478 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.88 -29.35 19.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 73.51 110.418 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.99 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 64.31 111.168 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.63 -24.39 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 74.22 110.861 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -79.69 -36.89 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.709 -0.478 . . . . 75.11 109.709 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.37 -44.61 94.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 74.15 110.287 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -73.53 -23.05 59.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.906 -0.588 . . . . 73.14 110.994 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.71 -43.89 90.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 74.4 110.61 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.489 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -71.29 -25.76 62.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.669 -0.412 . . . . 73.02 110.405 -177.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.489 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.502 . . . . 62.22 109.981 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 11.2 mp -74.53 -8.45 56.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.525 -0.761 . . . . 73.21 111.437 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -108.1 -45.79 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.336 . . . . 73.31 111.124 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 12.3 ttt180 -60.25 -48.02 83.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.459 -0.337 . . . . 65.22 111.086 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.93 -18.54 60.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.385 0.612 . . . . 74.45 110.182 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.1 t-160 -81.09 -47.88 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 74.45 110.621 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.28 -44.56 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 53.24 111.61 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.79 -19.94 64.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.888 0.375 . . . . 74.21 111.316 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -100.36 -46.26 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.781 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.74 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.372 0.508 . . . . 62.31 112.372 -173.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.614 0.245 . . . . 74.03 111.57 -179.77 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.659 0.266 . . . . 75.2 110.851 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -56.7 -24.93 52.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.69 -0.686 . . . . 72.13 112.165 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -89.06 -36.63 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 74.01 110.867 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -80.45 -48.82 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 71.23 112.086 -176.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 17' ' ' GLN . 17.3 m -73.41 -5.64 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 73.12 110.96 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -89.12 -17.89 28.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.146 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.65 -52.36 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.061 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -120.4 80.0 29.2 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.09 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HB2' HD13 ' A' ' 36' ' ' LEU . 90.3 Cg_endo -94.89 140.7 1.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.154 2.57 . . . . 53.1 113.012 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -104.83 139.35 39.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 74.23 109.948 171.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HG2' HG21 ' A' ' 34' ' ' THR . 4.2 tmm_? -87.14 100.15 12.45 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.386 -0.598 . . . . 73.42 109.386 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.25 144.89 30.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.466 . . . . 61.33 111.497 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 108' ' ' LEU . . . 89.21 -104.67 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.852 -0.613 . . . . 73.44 113.309 173.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.498 HG21 ' HB2' ' A' ' 104' ' ' ALA . 17.7 p -128.33 163.3 45.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.336 0.112 . . . . 75.01 111.132 -175.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -87.22 -10.29 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.816 2.344 . . . . 70.14 113.086 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -89.35 -35.38 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.123 0.487 . . . . 73.03 110.207 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tt -129.19 108.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.429 -0.952 . . . . 74.35 108.429 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.53 HG21 ' HG2' ' A' ' 27' ' ' ARG . 7.1 m -96.1 123.95 39.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 73.24 112.04 -167.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.567 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 3.6 mp -99.98 119.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.294 -0.632 . . . . 72.2 109.294 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.626 ' HB2' HG12 ' A' ' 86' ' ' VAL . 2.9 mm? -106.65 135.72 47.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.828 0.347 . . . . 63.23 110.267 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.61 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . 174.0 -174.73 46.43 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.671 -0.776 . . . . 45.03 112.025 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -170.47 -71.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.765 0.426 . . . . 63.43 109.86 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.44 109.97 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.449 -0.575 . . . . 65.43 109.449 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -140.15 113.84 8.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.287 -0.415 . . . . 74.34 110.126 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -80.01 67.2 5.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 75.53 111.196 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.9 tp -78.97 -31.9 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 74.02 109.95 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 -16.13 60.08 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.915 -0.66 . . . . 71.42 112.01 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -126.24 113.81 23.69 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.893 -0.41 . . . . 65.44 109.893 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -61.65 106.56 0.44 Allowed 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.47 2.113 . . . . 73.02 110.712 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -130.84 145.06 51.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.026 0.441 . . . . 75.43 111.148 -173.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' HB ' ' A' ' 69' ' ' THR . 5.5 tt -98.28 110.65 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.713 -0.676 . . . . 74.51 110.256 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 62.92 3.48 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.841 -0.695 . . . . 73.24 111.93 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 69' ' ' THR . 63.4 tp -63.04 116.08 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.92 0.391 . . . . 72.31 110.414 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 m -118.27 109.47 16.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 73.44 109.886 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.0 141.59 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 63.21 110.315 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.78 169.07 8.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.668 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -86.78 -2.52 58.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.156 0.503 . . . . 72.54 110.191 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -95.81 -29.89 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.104 -0.498 . . . . 73.22 111.655 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' ND2' HG21 ' A' ' 56' ' ' VAL . 2.6 p-10 -93.77 -25.0 17.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.805 0.336 . . . . 71.41 111.186 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.499 HG21 ' ND2' ' A' ' 55' ' ' ASN . 85.5 t -122.17 107.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.357 -0.609 . . . . 73.21 109.357 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -93.42 -29.52 15.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 74.24 111.776 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -97.22 136.27 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.153 0.501 . . . . 74.43 111.272 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.36 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 74.01 112.164 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 84.4 m-70 -70.62 -21.32 62.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.877 0.37 . . . . 53.01 111.222 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 65' ' ' ILE . 52.8 mm-40 -72.75 -33.62 66.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.848 -0.427 . . . . 74.4 109.848 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.421 ' HB2' HG11 ' A' ' 56' ' ' VAL . 53.1 ttp180 -66.71 -28.74 68.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 74.11 109.739 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 15.9 m120 -61.79 -49.57 75.82 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.83 -0.623 . . . . 65.42 109.402 172.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.74 -40.56 97.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.392 -0.822 . . . . 75.42 111.224 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.5 mm -60.57 -43.3 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 71.33 111.142 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -74.04 -18.73 60.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 65.44 111.416 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 40.5 mtp85 -81.1 -36.28 30.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 71.23 110.692 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -73.0 -44.23 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 70.45 110.221 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.475 ' HB ' HD12 ' A' ' 47' ' ' ILE . 12.4 p -65.32 -49.56 68.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 75.24 111.535 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -81.19 11.48 4.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 73.2 110.842 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -99.38 -52.34 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.144 -0.687 . . . . 73.12 109.144 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -67.65 -46.04 73.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.518 -0.765 . . . . 75.41 111.034 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.567 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 81.0 m-85 -79.56 5.21 13.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 74.31 111.687 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -109.78 -51.17 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.389 -0.226 . . . . 75.25 110.389 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.95 -26.68 65.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 64.4 111.032 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG2' ' CD1' ' A' ' 109' ' ' TRP . 9.1 mpt_? -103.16 46.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 65.34 109.643 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -71.36 -18.03 62.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.259 -0.882 . . . . 62.41 111.369 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.24 10.54 41.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.603 -0.271 . . . . 74.41 110.749 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -98.4 12.46 34.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 75.21 110.723 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 112' ' ' HIS . 2.5 pt? -153.95 150.95 23.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.388 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.8 Cg_exo -76.65 -157.42 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.031 2.487 . . . . 70.45 111.609 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.54 45.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 71.42 111.149 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.8 mmt -115.1 148.59 38.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.906 -0.588 . . . . 54.45 109.845 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -112.54 156.67 22.25 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.625 -0.509 . . . . 75.32 109.625 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.61 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 95.2 m-85 -138.37 137.58 37.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 74.1 110.65 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.626 HG12 ' HB2' ' A' ' 36' ' ' LEU . 6.8 p -88.74 128.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 75.24 109.849 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.0 t -111.9 112.39 40.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.473 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.66 118.38 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.151 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.496 ' HB3' HG13 ' A' ' 93' ' ' VAL . . . -91.95 148.79 21.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.982 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.557 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 8.9 mmpt? -90.89 173.88 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.614 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.696 ' HB3' ' HZ1' ' A' ' 91' ' ' LYS . 6.2 ttpm? -77.13 120.87 22.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.662 -0.496 . . . . 65.34 109.662 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 126.51 -23.72 5.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.33 -0.938 . . . . 72.42 112.253 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.496 HG13 ' HB3' ' A' ' 89' ' ' ALA . 10.2 p -61.1 -27.77 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.335 0.588 . . . . 74.5 110.667 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -82.91 3.1 31.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.548 -0.751 . . . . 63.15 110.921 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -133.4 26.3 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.421 0.629 . . . . 73.14 110.32 -176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 89.7 mt -103.57 156.91 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.921 -0.581 . . . . 73.34 111.387 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.79 142.69 57.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.142 173.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.83 -32.13 73.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.459 0.647 . . . . 72.42 109.36 173.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.9 ttp180 -58.5 -43.71 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.894 -1.048 . . . . 75.31 110.796 174.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.08 89.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 73.15 110.754 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.42 -40.19 96.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.879 -0.6 . . . . 64.24 110.365 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -61.08 -44.58 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.795 -0.639 . . . . 65.11 110.687 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 40.6 mm-40 -63.58 -41.51 98.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 73.4 110.84 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 30' ' ' THR . . . -72.32 -24.52 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 63.45 111.926 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tt -56.95 -46.48 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 74.11 111.092 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.571 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -71.75 -25.44 62.05 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.922 -0.311 . . . . 71.01 111.223 -176.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.571 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 18.9 mmmt -71.79 -41.74 67.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.959 -0.756 . . . . 71.41 108.959 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.491 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 32.6 tp -64.86 -47.71 76.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.205 -0.907 . . . . 74.21 110.43 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.449 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 40.1 t90 -53.03 -53.45 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 75.11 112.246 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -67.15 -40.77 86.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 74.3 112.204 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' A' ' 111' ' ' ARG . 8.5 tpp180 -72.43 -32.79 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.044 -0.354 . . . . 75.33 110.044 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 58.1 t-80 -58.58 -42.34 87.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 64.4 110.03 176.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.7 -55.21 14.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 63.53 110.956 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.88 -26.87 68.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 62.14 112.212 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.41 -46.79 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.801 -0.36 . . . . 74.54 111.097 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.13 71.15 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.041 0.385 . . . . 72.43 112.041 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 117' ' ' ARG . 24.0 mtt180 . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.729 -0.389 . . . . 74.55 110.944 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' O ' HG21 ' A' ' 21' ' ' VAL . 80.2 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.482 0.182 . . . . 74.34 111.264 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -55.8 -29.9 60.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 74.23 111.456 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -105.15 -28.67 10.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.23 0.538 . . . . 71.34 110.392 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -69.35 -34.03 73.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 64.34 111.442 -174.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 17' ' ' GLN . 16.3 m -89.75 -13.2 9.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.148 0.499 . . . . 71.52 110.435 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -77.39 -5.67 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 64.35 110.609 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -59.61 -40.75 88.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.203 0.525 . . . . 72.01 109.732 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -151.34 81.4 6.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.602 -0.726 . . . . 71.0 109.25 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.32 101.67 1.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.299 1.999 . . . . 73.54 112.346 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -77.81 118.59 20.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 64.14 110.164 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -83.47 117.01 22.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.492 -0.776 . . . . 75.11 110.874 -172.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.61 174.65 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.558 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.42 ' HA3' HD13 ' A' ' 35' ' ' ILE . . . 94.58 -142.32 15.98 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.69 -0.767 . . . . 62.43 112.838 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.457 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -109.66 151.99 42.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.053 -0.351 . . . . 73.4 110.053 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 9.7 Cg_endo -54.8 -39.73 88.37 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.249 1.966 . . . . 63.53 111.841 170.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -73.81 -38.4 64.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.186 -0.461 . . . . 65.42 111.023 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 HD13 HG22 ' A' ' 69' ' ' THR . 5.5 tt -128.63 108.56 17.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 74.4 110.059 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.539 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 22.2 m -93.07 129.96 38.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 62.41 111.738 -171.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.42 HD13 ' HA3' ' A' ' 29' ' ' GLY . 4.1 mp -109.69 118.2 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.27 -0.641 . . . . 64.44 109.27 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.736 ' HB2' HG11 ' A' ' 86' ' ' VAL . 96.8 mt -112.39 146.61 38.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 73.41 110.583 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.73 -178.32 37.26 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.253 -0.739 . . . . 53.5 111.253 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -147.24 -82.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.539 -0.541 . . . . 75.34 109.539 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 38' ' ' ARG . 37.0 tp 170.33 90.94 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.136 -1.061 . . . . 75.44 108.136 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 83' ' ' MET . 9.8 m120 -135.45 151.86 50.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.096 -0.502 . . . . 71.42 110.107 -169.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -96.53 94.69 7.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.765 0.317 . . . . 64.12 111.026 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.675 HD21 ' HA ' ' A' ' 83' ' ' MET . 4.4 mm? -99.41 -27.38 13.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.044 0.449 . . . . 73.44 110.614 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.54 -48.29 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.928 -0.653 . . . . 75.34 112.293 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -126.2 153.42 74.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.923 -0.399 . . . . 72.12 109.923 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.89 136.61 74.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.068 2.512 . . . . 73.14 112.995 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 47' ' ' ILE . 3.7 tmt_? -144.47 143.14 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.49 -0.93 . . . . 73.42 108.49 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.484 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 11.2 tt -136.78 140.4 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 73.41 110.849 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.13 106.57 0.69 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.288 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.8 tp -77.72 122.8 25.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 74.55 110.586 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.508 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 28.4 m -94.39 109.54 21.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.954 -0.566 . . . . 74.22 110.139 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.428 ' HA ' HD22 ' A' ' 55' ' ' ASN . 12.2 p -142.41 145.56 23.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.965 -0.561 . . . . 72.13 109.952 -179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.22 -175.19 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.458 -0.337 . . . . 74.24 110.496 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 3.9 ttmp? -82.7 13.73 3.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 74.31 110.849 -178.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -114.76 -30.65 6.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.782 0.29 . . . . 63.35 111.782 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.428 HD22 ' HA ' ' A' ' 51' ' ' VAL . 24.3 p-10 -99.2 -37.07 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.14 -0.224 . . . . 65.11 111.401 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -129.6 100.96 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 71.44 109.963 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -102.44 13.53 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.14 -0.482 . . . . 63.22 111.159 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.46 124.57 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 70.51 110.107 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 62' ' ' ARG . . . -72.19 -34.29 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.732 0.641 . . . . 73.11 112.732 -170.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -68.89 -46.14 69.15 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.336 0.588 . . . . 73.3 109.947 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 65' ' ' ILE . 3.3 mp0 -58.87 -33.39 70.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.11 -0.95 . . . . 71.45 110.799 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 24.1 ttp180 -49.8 -44.39 49.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.819 -0.628 . . . . 74.22 111.21 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -88.57 0.99 55.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.412 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -103.17 -34.22 8.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.615 -0.266 . . . . 75.21 110.747 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 61' ' ' GLU . 47.3 mm -66.37 -41.74 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.13 110.823 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -75.96 3.09 10.93 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.821 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -77.7 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 72.32 109.854 174.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.4 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.0 tm? -66.12 -38.01 87.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 75.2 110.719 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.451 HG22 HD13 ' A' ' 33' ' ' ILE . 36.9 p -58.02 -49.79 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.399 . . . . 70.24 111.378 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -74.8 -31.91 61.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 72.52 110.843 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.31 -53.42 44.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.408 -0.36 . . . . 74.13 110.619 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -63.31 -36.87 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.371 . . . . 73.11 110.769 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.98 -45.03 96.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.545 -0.752 . . . . 73.21 111.031 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.01 -38.42 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.33 111.985 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.15 -22.06 66.87 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.856 0.688 . . . . 73.41 112.856 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 19.6 mmt180 -111.84 35.25 3.77 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.287 -0.258 . . . . 74.31 111.289 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -25.68 65.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.731 -0.668 . . . . 73.2 111.494 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -74.7 -20.15 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.357 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -118.12 41.68 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 64.52 111.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 80' ' ' LEU . 4.1 pp -155.53 145.3 15.52 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 73.43 111.971 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.9 Cg_exo -81.13 162.6 20.31 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.001 2.467 . . . . 73.2 110.561 167.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.99 95.79 10.26 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.339 0.496 . . . . 75.31 112.339 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.675 ' HA ' HD21 ' A' ' 42' ' ' LEU . 3.8 mpp? -129.66 179.23 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.716 -0.674 . . . . 71.3 109.987 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.472 ' CG ' ' HD2' ' A' ' 46' ' ' ARG . 44.2 t0 -93.59 107.57 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.986 -0.746 . . . . 63.3 108.986 171.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.5 100.6 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.869 -0.605 . . . . 75.14 110.868 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.736 HG11 ' HB2' ' A' ' 36' ' ' LEU . 3.2 p -78.37 113.3 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.392 -0.822 . . . . 75.01 110.032 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.38 112.19 37.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.38 -0.827 . . . . 62.31 110.543 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 47.6 t -94.52 109.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.047 -0.524 . . . . 70.11 110.304 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB3' HG11 ' A' ' 93' ' ' VAL . . . -84.8 121.25 27.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.966 -0.561 . . . . 74.44 110.238 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.51 156.55 22.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.409 -0.359 . . . . 72.2 110.566 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -57.67 136.42 56.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 63.12 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.54 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 111.33 -24.51 15.69 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.923 -0.656 . . . . 74.4 111.781 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 89' ' ' ALA . 8.2 p -59.22 -29.99 42.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 121.02 0.438 . . . . 74.45 111.356 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.28 17.53 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 64.12 111.239 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -147.26 32.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.773 0.797 . . . . 64.33 109.882 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 94.0 mt -105.21 167.45 9.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 74.02 111.146 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.41 160.27 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.622 -0.717 . . . . 65.44 110.236 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 27.6 t-20 -59.07 -27.87 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 64.01 110.972 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -66.66 -18.89 65.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.593 -0.276 . . . . 62.4 111.028 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.69 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.626 -0.261 . . . . 60.21 111.453 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 98' ' ' ASN . 4.3 pp -73.9 -22.19 59.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 73.53 110.607 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 t -76.33 -38.98 55.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 65.22 109.769 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -67.91 -49.33 62.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 64.31 110.246 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.624 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -62.28 -23.37 66.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.742 -0.663 . . . . 70.05 111.684 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 tp -58.49 -43.9 89.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 72.01 110.917 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.59 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -77.03 -29.79 55.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.638 -0.425 . . . . 73.2 110.009 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.624 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.8 mmmt -64.58 -30.31 71.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.161 0.505 . . . . 71.52 109.638 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 4.2 mm? -80.92 -61.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 73.41 110.687 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -57.91 -56.47 21.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.572 0.582 . . . . 73.03 112.572 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.17 -37.63 83.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.78 . . . . 74.23 111.075 -173.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -82.86 -35.57 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.906 -0.588 . . . . 72.25 111.164 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.0 t-160 -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 72.12 110.941 -174.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.2 t -64.21 -41.45 97.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.721 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -70.5 -22.7 62.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.45 111.103 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -85.15 -46.61 10.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.668 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -30.17 71.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 75.42 111.196 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.493 . . . . 64.14 110.069 177.393 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.4 pm0 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.816 -0.439 . . . . 72.25 109.816 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -62.74 -33.1 74.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.246 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.88 -0.6 . . . . 72.33 110.304 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 24.7 t80 -79.63 -36.01 38.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.026 -0.534 . . . . 63.52 110.442 -178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.884 ' HB ' ' HA2' ' A' ' 37' ' ' GLY . 18.9 m -74.75 -25.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.582 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -70.07 -16.65 63.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.174 0.511 . . . . 61.34 110.463 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 60.4 mt-30 -65.13 -29.36 70.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.677 -0.692 . . . . 72.13 111.326 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . 59.9 tt0 -169.59 77.65 0.68 Allowed Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.698 -0.482 . . . . 75.5 109.698 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -88.53 131.27 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.785 2.324 . . . . 73.24 113.174 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -84.29 139.16 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.775 -0.454 . . . . 71.21 109.775 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' HA ' HD22 ' A' ' 36' ' ' LEU . 2.3 tmm_? -96.74 113.02 24.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.447 -173.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.91 141.07 44.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.429 -0.35 . . . . 70.41 110.654 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.01 -137.13 10.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.599 -0.81 . . . . 74.13 112.612 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.6 p -130.18 163.52 47.15 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.364 . . . . 70.53 110.019 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 37.7 Cg_endo -66.83 -8.15 20.56 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 74.52 113.154 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.523 HE21 ' HA ' ' A' ' 93' ' ' VAL . 51.7 tp60 -99.07 -31.34 11.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 74.4 110.167 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 tt -144.14 108.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.573 0.702 . . . . 73.53 109.463 174.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -111.04 131.46 55.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.505 -0.77 . . . . 70.33 111.247 -173.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 35' ' ' ILE . 3.4 mp -101.01 118.64 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.304 -0.628 . . . . 70.1 109.304 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 27' ' ' ARG . 80.2 mt -120.72 164.38 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.947 -0.57 . . . . 72.21 110.045 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.884 ' HA2' ' HB ' ' A' ' 21' ' ' VAL . . . 147.57 167.73 13.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 119.884 -1.15 . . . . 61.2 113.448 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.612 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 17.4 ptt180 -163.1 143.85 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.497 -0.927 . . . . 73.31 108.497 174.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 40' ' ' ASN . 16.2 tp -169.92 -104.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.773 -0.455 . . . . 55.32 109.773 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 61.1 t30 178.18 157.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.8 -0.815 . . . . 73.42 108.8 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -71.7 84.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.218 0.532 . . . . 64.11 109.91 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.51 -7.17 32.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.956 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.07 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.451 -0.881 . . . . 52.5 112.06 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -135.94 86.8 25.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.745 0.307 . . . . 73.44 110.434 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.539 ' HB3' ' HA ' ' A' ' 82' ' ' ALA . 73.1 Cg_endo -90.48 142.81 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.923 2.415 . . . . 72.35 113.077 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 12.7 tpt180 -157.37 143.24 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.726 -0.472 . . . . 71.34 109.726 176.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 tt -87.5 116.26 29.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.373 0.606 . . . . 71.21 110.957 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.66 69.74 0.61 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.024 -0.608 . . . . 45.3 111.787 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.27 109.88 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.151 0.5 . . . . 73.12 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.0 m -101.8 100.05 10.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.868 -0.606 . . . . 75.3 110.06 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.78 115.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.399 -0.818 . . . . 74.22 110.665 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.81 158.11 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.654 -0.703 . . . . 62.21 110.786 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.42 -10.29 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 74.5 111.631 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 21.0 ptmt -93.7 -12.64 28.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.997 0.427 . . . . 73.21 110.311 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.546 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.0 m-20 -102.25 -50.48 3.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 71.11 110.203 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG13 ' HG3' ' A' ' 62' ' ' ARG . 45.5 t -126.07 126.74 70.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.508 -0.923 . . . . 63.41 108.508 174.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.607 ' HB2' ' HD2' ' A' ' 58' ' ' ARG . 81.1 mtt180 -101.06 -63.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 71.4 111.955 -165.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.723 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 4.7 mpt_? -68.38 145.52 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.573 -168.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.83 81.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 72.43 110.731 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.42 -36.84 85.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.225 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.723 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 60.5 mt-10 -65.28 -56.04 14.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.208 0.528 . . . . 60.33 110.19 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 62' ' ' ARG . 50.4 mtm180 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.42 -0.809 . . . . 74.43 111.595 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 27.1 t-20 -69.6 -45.69 68.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.157 -0.312 . . . . 75.04 110.157 174.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -64.09 -40.12 95.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 75.55 111.16 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.2 mm -60.91 -37.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.25 110.754 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -78.06 -1.02 30.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.375 . . . . 70.31 111.565 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 51.7 mtt180 -99.66 -37.0 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 75.42 109.947 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.98 -58.06 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.314 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.5 p -68.02 -32.75 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 75.14 111.693 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -72.96 -20.33 61.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.677 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -97.66 -28.83 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 65.23 110.924 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.2 p -67.44 -45.27 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 64.23 110.881 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.422 ' HA ' ' CH2' ' A' ' 109' ' ' TRP . 55.1 m-85 -72.59 -11.56 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.448 . . . . 74.1 110.863 177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -102.1 -5.93 23.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 75.11 110.354 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.6 tp -77.62 -58.47 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 64.15 110.398 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.413 ' O ' ' HZ2' ' A' ' 109' ' ' TRP . 28.4 mtp85 -129.9 77.03 1.76 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 64.51 110.575 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.523 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -75.23 2.52 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 63.24 111.869 -177.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.6 -11.65 42.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.715 -0.476 . . . . 75.54 109.715 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 76' ' ' ARG . 35.1 mm-40 -94.19 11.27 30.75 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.081 -0.711 . . . . 74.44 109.081 173.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD11 ' CE1' ' A' ' 112' ' ' HIS . 22.9 tp -132.2 125.22 19.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.027 -0.988 . . . . 73.33 110.307 -173.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.463 ' HB2' ' HE3' ' A' ' 83' ' ' MET . 24.8 Cg_exo -63.45 137.97 62.92 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.243 1.962 . . . . 72.01 110.772 172.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.539 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -75.94 86.93 2.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.089 0.471 . . . . 75.3 111.937 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.463 ' HE3' ' HB2' ' A' ' 81' ' ' PRO . 24.1 ptp -157.5 -178.7 7.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.376 -0.829 . . . . 54.24 109.478 177.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 46' ' ' ARG . 4.8 m-20 -82.39 119.46 24.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.762 0.315 . . . . 74.43 110.866 177.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -112.14 133.25 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.32 -0.4 . . . . 73.33 110.595 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.7 t -94.73 118.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.099 -0.501 . . . . 73.3 110.726 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.82 105.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.056 -0.52 . . . . 65.13 110.021 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.5 t -89.96 106.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.657 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB3' HG12 ' A' ' 93' ' ' VAL . . . -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 74.21 109.948 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.0 mmpt? -80.23 176.65 9.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 71.54 111.524 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 48.2 mtmt -67.87 126.87 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.496 -0.774 . . . . 74.32 111.358 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.92 29.82 66.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.604 -0.726 . . . . 54.41 112.884 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.523 ' HA ' HE21 ' A' ' 32' ' ' GLN . 8.1 p -69.76 -21.53 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.922 0.392 . . . . 70.32 110.87 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 65' ' ' ILE . . . -90.54 -2.31 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 65.24 110.994 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.83 35.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.188 0.994 . . . . 63.12 110.082 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.3 153.86 35.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.285 -0.87 . . . . 74.52 109.589 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.81 151.25 47.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.756 -0.461 . . . . 73.34 109.756 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -24.47 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.719 0.295 . . . . 71.15 111.132 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 99' ' ' ARG . 12.1 ttm180 -68.01 -51.07 51.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 73.42 109.325 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.2 88.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.427 -0.806 . . . . 74.44 111.01 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.13 -45.2 87.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 74.51 110.624 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 t -66.59 -41.69 88.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.126 -0.488 . . . . 72.04 110.26 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.45 5.56 10.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 70.33 111.491 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.74 -35.83 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 33.1 109.697 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 2.8 tm? -66.0 -43.82 86.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.29 -0.868 . . . . 74.23 110.034 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -61.8 -31.85 72.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 70.32 110.934 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -61.81 -51.9 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 72.22 110.424 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -71.97 -30.52 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.875 -0.602 . . . . 75.14 111.374 -175.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.422 ' CH2' ' HA ' ' A' ' 73' ' ' PHE . 23.5 t-105 -81.02 -39.06 26.44 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.669 -0.412 . . . . 74.22 110.458 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.87 -34.94 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.288 -0.634 . . . . 51.23 109.288 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.466 -0.788 . . . . 70.24 109.995 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.496 ' CE1' HD11 ' A' ' 80' ' ' LEU . 22.0 t-80 -71.25 -39.9 71.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.894 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.66 -47.64 84.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.155 0.502 . . . . 72.42 110.138 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -79.96 15.39 1.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 65.04 111.306 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 tp -125.62 -50.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.873 0.368 . . . . 74.5 110.591 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.62 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 73.2 111.487 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 117' ' ' ARG . 67.7 mtt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 74.41 110.928 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.851 0.358 . . . . 63.55 110.207 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 21' ' ' VAL . 89.4 m-85 -84.58 -45.42 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 73.4 110.004 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.682 ' HA ' ' HD2' ' A' ' 22' ' ' PHE . 23.7 m -66.51 -12.59 58.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.251 0.548 . . . . 72.34 110.961 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.5 -39.56 80.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.818 -0.628 . . . . 74.13 110.509 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 18' ' ' PHE . 13.4 m -85.89 -7.25 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 53.23 110.863 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.682 ' HD2' ' HA ' ' A' ' 19' ' ' THR . 24.7 m-85 -77.18 3.72 12.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.075 0.464 . . . . 63.4 110.936 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -87.25 -69.76 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.991 -0.744 . . . . 73.53 108.991 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -143.37 99.01 5.38 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 72.4 109.796 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -93.81 170.93 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.052 2.501 . . . . 74.24 113.627 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -117.14 99.46 7.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.784 -0.644 . . . . 64.3 109.386 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 34' ' ' THR . 40.1 ttt-85 -75.79 118.8 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.108 -0.496 . . . . 64.41 111.458 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.08 91.7 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.871 -0.604 . . . . 74.25 110.272 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.15 -158.03 17.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.103 -0.57 . . . . 50.34 111.828 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 68.3 p -114.96 173.78 2.72 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.426 -0.213 . . . . 72.32 110.426 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 31.6 Cg_exo -61.09 -27.63 84.58 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.683 2.255 . . . . 61.54 113.269 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -91.52 -35.7 14.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.807 -0.357 . . . . 74.34 111.474 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 tt -128.11 104.39 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.658 0.742 . . . . 73.21 110.22 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 ' HG3' ' A' ' 27' ' ' ARG . 52.9 m -101.06 112.29 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.449 -0.796 . . . . 72.03 111.323 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.4 mt -94.65 115.13 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 71.24 110.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.689 ' HB2' HG11 ' A' ' 86' ' ' VAL . 3.1 mm? -86.57 105.08 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.221 -0.659 . . . . 74.15 109.221 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.6 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -96.13 160.98 22.37 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.563 -0.827 . . . . 64.44 112.836 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -141.54 138.45 32.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.026 -0.361 . . . . 65.12 110.026 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.36 4.55 45.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.002 0.43 . . . . 71.11 110.534 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.08 98.79 0.61 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.557 -0.905 . . . . 72.3 108.557 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.438 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 12.4 t -82.44 107.09 14.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.22 0.534 . . . . 53.44 111.111 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.67 -1.9 29.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 72.21 110.41 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.92 37.61 94.07 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.724 -0.751 . . . . 70.33 111.457 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -127.67 86.8 57.51 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.96 -0.385 . . . . 63.55 109.96 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.489 ' HG3' ' HB2' ' A' ' 82' ' ' ALA . 4.0 Cg_exo -75.5 102.26 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.87 2.38 . . . . 74.24 111.959 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -146.14 150.81 36.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.839 0.352 . . . . 75.23 110.373 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.39 108.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.358 0.599 . . . . 72.15 110.0 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.06 91.32 1.44 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.944 -0.646 . . . . 50.45 112.28 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.404 HD12 HG21 ' A' ' 69' ' ' THR . 59.8 tp -72.96 110.7 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 73.11 109.93 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 104.57 13.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.942 -0.572 . . . . 73.34 109.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.12 136.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.001 -0.545 . . . . 72.23 110.053 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.69 146.42 36.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.341 -0.614 . . . . 72.14 109.341 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 61.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.642 0.734 . . . . 65.24 111.586 -175.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 4.2 ptpp? -130.06 -36.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 71.3 110.158 174.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 23.9 p-10 -90.05 -35.54 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.681 -0.488 . . . . 73.31 109.681 177.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -117.35 89.18 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.759 -0.655 . . . . 75.1 109.657 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -108.34 74.97 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.207 0.527 . . . . 75.34 110.362 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.54 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.7 tpm_? -161.1 -149.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 65.14 109.032 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.478 ' H ' ' HG3' ' A' ' 58' ' ' ARG . . . -134.21 -47.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.509 0.559 . . . . 64.52 112.509 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -69.38 -30.58 68.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.378 0.609 . . . . 75.01 110.613 -172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 22.5 mp0 -71.74 -15.89 62.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.111 -0.95 . . . . 75.15 111.503 -174.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.91 -42.72 94.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.097 0.475 . . . . 72.53 110.592 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.75 -34.43 60.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 74.43 110.312 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.607 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 98.5 mtt180 -58.44 -51.49 69.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.702 -0.681 . . . . 72.01 111.449 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.48 -39.76 86.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.073 -0.512 . . . . 74.35 111.1 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 66.4 mttm -69.58 -36.35 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 74.35 111.69 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HE ' ' HB3' ' A' ' 67' ' ' ARG . 4.9 mtp180 -64.75 -47.12 79.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.748 -0.381 . . . . 73.43 111.304 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.3 -48.05 81.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.337 . . . . 74.53 110.651 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.404 HG21 HD12 ' A' ' 49' ' ' LEU . 6.1 p -62.32 -56.86 14.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 74.11 112.212 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 58.5 mtm180 -57.71 -43.03 84.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.785 0.326 . . . . 74.15 111.421 -177.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.65 -40.01 92.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 73.13 111.289 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.554 ' CB ' HD11 ' A' ' 105' ' ' LEU . 38.9 t -75.5 -36.76 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.986 -0.286 . . . . 72.45 110.649 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 77.9 t80 -62.75 -32.44 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.137 0.494 . . . . 70.24 110.248 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -75.3 -43.4 51.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.485 -0.779 . . . . 65.2 111.21 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.87 -32.0 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 71.41 111.524 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -93.49 7.94 42.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.096 0.474 . . . . 74.02 110.094 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 8.1 tp-100 -79.96 79.67 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 73.32 111.891 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 77' ' ' GLN . 8.9 t-80 167.08 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.376 -0.829 . . . . 72.13 109.132 174.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.45 -38.04 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.718 -0.674 . . . . 51.43 110.289 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 3.5 pp -104.37 158.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 64.34 109.967 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 80' ' ' LEU . 23.6 Cg_endo -61.81 127.33 21.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.558 2.172 . . . . 73.33 112.161 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB2' ' HG3' ' A' ' 45' ' ' PRO . . . -72.7 90.8 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 65.11 111.154 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 20.6 mmt -124.29 179.7 4.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 71.33 109.844 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.73 107.29 19.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.16 -0.681 . . . . 73.21 109.16 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.6 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 71.3 m-85 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.243 -0.435 . . . . 65.11 111.305 -174.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 36' ' ' LEU . 3.5 p -94.78 123.44 46.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.572 . . . . 73.12 109.542 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.39 113.71 45.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.01 -0.541 . . . . 72.13 110.565 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.5 t -102.95 117.91 49.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.089 0.471 . . . . 62.3 110.429 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB3' HG12 ' A' ' 93' ' ' VAL . . . -80.63 136.48 36.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.695 . . . . 74.23 110.313 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.593 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.4 mmpt? -103.93 -171.82 2.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.222 -0.445 . . . . 75.51 110.366 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 58.1 pttt -73.12 143.42 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.428 -0.351 . . . . 74.24 110.911 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.38 4.18 71.23 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.785 -0.721 . . . . 74.22 113.24 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 89' ' ' ALA . 11.4 p -82.44 -21.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 63.01 110.989 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.49 -25.28 31.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 54.35 111.063 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -124.13 104.38 8.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.099 -0.5 . . . . 73.12 110.003 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.44 168.08 20.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.985 -0.552 . . . . 52.24 110.805 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.681 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 24.7 m-20 -74.58 165.42 25.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.528 . . . . 75.31 110.246 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -64.01 -45.83 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.426 -0.352 . . . . 71.11 111.723 -173.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -85.7 -15.61 41.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 75.1 110.48 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . . . -65.77 -24.01 66.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 74.32 111.948 -174.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 102' ' ' SER . 4.2 pp -65.66 -33.59 76.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.839 0.352 . . . . 73.04 110.315 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.504 ' N ' HD12 ' A' ' 101' ' ' LEU . 8.7 t -78.87 -33.04 46.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.909 -0.774 . . . . 70.13 108.909 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.488 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 51.9 mt-10 -72.31 2.17 6.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.308 -0.86 . . . . 72.44 111.616 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.53 -38.17 3.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.294 0.569 . . . . 63.44 109.795 173.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 21.3 tp -68.31 -57.88 5.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.689 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.695 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 1.5 pt-20 -65.34 -16.07 63.2 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.844 0.313 . . . . 73.55 111.844 -173.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.695 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.2 mmmt -75.76 -43.8 44.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.915 -0.402 . . . . 74.31 109.915 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.5 pp -71.25 -19.87 62.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 75.15 110.124 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.533 ' O ' ' HB2' ' A' ' 113' ' ' CYS . 10.9 m0 -60.65 -32.13 71.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.372 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 7.5 mpt_? -91.28 -45.08 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.52 110.854 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -57.81 -40.36 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 64.42 110.802 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -87.28 -0.06 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 75.42 110.652 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 109' ' ' TRP . 34.8 t -92.31 -34.08 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.955 0.407 . . . . 72.33 110.024 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -70.22 -21.55 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 73.34 109.331 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.1 tp -95.31 9.99 37.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.759 . . . . 61.45 109.71 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.09 -47.01 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.664 . . . . 71.1 110.868 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 74.34 111.307 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.697 ' HG2' ' HB3' ' A' ' 84' ' ' ASP . 1.1 mp0 . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 110.337 -0.245 . . . . 62.11 110.337 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -55.85 -55.47 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 70.1 110.803 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -66.48 -32.26 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 73.31 111.008 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.41 -50.44 52.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 75.25 111.161 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -77.73 -16.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 71.13 111.402 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -75.04 -21.85 58.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 74.34 110.995 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -60.4 -42.82 96.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 50.32 110.942 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.414 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 2.9 tm0? -155.12 86.79 3.35 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.629 -0.878 . . . . 72.31 108.629 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' ' 36' ' ' LEU . 2.3 Cg_endo -81.65 126.76 5.41 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.162 2.575 . . . . 72.03 113.316 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -78.35 122.03 25.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.605 -0.887 . . . . 73.11 108.605 171.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -98.49 127.87 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.21 0.529 . . . . 73.1 111.818 -173.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.427 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -140.96 162.41 35.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.634 -0.712 . . . . 72.44 109.625 172.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.95 167.35 27.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.279 -0.962 . . . . 64.35 113.234 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.546 HG23 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -61.26 149.72 81.88 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 123.338 0.655 . . . . 74.51 110.697 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.546 ' HD2' HG23 ' A' ' 30' ' ' THR . 50.4 Cg_exo -55.74 -17.57 18.4 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.79 2.327 . . . . 71.23 114.036 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.43 ' HA ' ' HB2' ' A' ' 90' ' ' LYS . 27.5 mp0 -94.41 -11.52 29.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 71.51 111.264 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.26 94.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.686 0.755 . . . . 75.14 109.689 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -97.26 108.89 21.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.731 -0.668 . . . . 60.23 111.437 -171.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.67 116.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.235 -0.654 . . . . 71.3 109.235 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 25' ' ' PRO . 95.6 mt -117.32 143.21 46.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 61.24 110.107 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.719 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -173.07 -179.01 43.47 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.162 -1.018 . . . . 41.34 112.578 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.707 ' HG3' HD23 ' A' ' 39' ' ' LEU . 6.4 tpt180 -152.75 153.91 34.16 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.228 -0.656 . . . . 74.22 109.228 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.707 HD23 ' HG3' ' A' ' 38' ' ' ARG . 1.7 pt? -62.99 122.65 16.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.017 0.437 . . . . 75.34 110.506 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -145.41 140.01 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 73.03 110.444 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -98.78 103.1 15.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.064 -0.517 . . . . 74.24 110.23 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -149.31 -49.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.703 0.287 . . . . 51.43 110.344 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' HA2' ' HB2' ' A' ' 82' ' ' ALA . . . 93.73 40.27 4.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.297 -0.954 . . . . 73.22 110.901 -173.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.504 ' HB2' HD11 ' A' ' 42' ' ' LEU . 44.9 t60 -131.67 85.75 50.99 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.282 -0.459 . . . . 75.24 110.086 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -96.19 94.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.107 2.538 . . . . 51.41 112.243 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -110.29 -169.69 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.078 0.466 . . . . 73.24 110.573 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 tt -121.45 88.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.765 0.793 . . . . 63.11 109.747 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.45 61.16 4.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 32.22 112.601 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.24 109.02 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.094 0.473 . . . . 72.11 110.374 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 m -100.26 98.69 9.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.929 -0.578 . . . . 71.45 110.312 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -103.26 93.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 74.51 111.425 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -70.32 134.93 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.98 -0.555 . . . . 70.43 110.363 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HB3' ' HD3' ' A' ' 58' ' ' ARG . 56.6 pttt -78.45 7.73 6.19 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.256 0.465 . . . . 73.34 112.256 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -91.68 -24.7 19.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.213 0.53 . . . . 72.41 110.091 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 4.9 p-10 -116.99 -26.62 6.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 73.45 110.598 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.4 t -98.08 136.67 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.47 -0.937 . . . . 73.42 108.47 171.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.538 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 73.7 mtp180 -66.51 -14.44 62.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 74.2 111.263 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HD3' ' HB3' ' A' ' 53' ' ' LYS . 16.5 tpt180 74.13 25.06 1.85 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.669 -0.696 . . . . 61.15 111.552 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 -88.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.555 -0.458 . . . . 72.34 111.983 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -106.46 -20.64 13.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.391 0.615 . . . . 75.43 110.691 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.667 ' H ' ' CD ' ' A' ' 61' ' ' GLU . 3.8 mp0 -58.91 -45.95 89.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.02 -0.991 . . . . 65.11 110.441 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -20.26 65.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.684 -0.689 . . . . 74.43 110.887 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.589 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 56.0 t30 -70.46 -40.45 73.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.438 -0.346 . . . . 54.42 110.162 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 64' ' ' ARG . 17.9 ttm180 -70.83 -40.42 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.187 0.518 . . . . 73.32 109.889 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.7 mm -60.98 -42.8 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.71 . . . . 72.2 111.108 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.589 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 22.7 pttp -79.29 5.0 13.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.634 -0.257 . . . . 63.11 111.303 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -103.58 -42.46 5.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 75.24 110.533 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.3 -49.68 68.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.737 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 64.1 110.824 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 29.1 ttt180 -48.04 -52.62 19.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.44 -0.8 . . . . 64.24 111.418 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.25 -48.43 70.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.961 -0.563 . . . . 72.12 110.88 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 p -69.25 -24.66 64.01 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.518 0.562 . . . . 73.35 112.518 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -96.15 -15.54 22.04 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.553 0.575 . . . . 75.25 112.553 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.68 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.4 mmp_? -104.88 -32.67 8.68 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.394 -0.522 . . . . 73.32 112.076 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.42 -12.18 59.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 74.33 110.9 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.639 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 82.8 mtm180 -115.53 82.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.286 -0.416 . . . . 75.23 109.986 175.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.457 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -93.75 10.11 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.52 -0.309 . . . . 71.23 111.645 -175.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -127.91 9.46 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.742 0.782 . . . . 74.23 109.202 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.639 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 19.8 tp10 -81.71 -27.6 33.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.149 -0.932 . . . . 72.12 110.049 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -136.15 154.85 77.65 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.626 -0.716 . . . . 73.03 109.794 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 16.5 Cg_exo -68.66 179.65 2.99 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.633 2.222 . . . . 75.21 111.74 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HB2' ' HA2' ' A' ' 43' ' ' GLY . . . -80.08 44.31 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.338 0.59 . . . . 45.23 111.188 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' A' ' 39' ' ' LEU . 56.0 mtt -108.08 166.16 10.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.454 -0.794 . . . . 75.41 109.525 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.697 ' HB3' ' HG2' ' A' ' 17' ' ' GLN . 22.5 t70 -111.48 126.92 55.47 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.787 -0.449 . . . . 73.02 109.787 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.719 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 97.2 m-85 -122.44 139.71 53.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 73.31 110.797 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.21 123.76 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.443 0.64 . . . . 74.44 110.118 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.97 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.776 -0.647 . . . . 73.22 109.726 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.49 116.22 29.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.921 -175.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -73.32 133.74 43.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.785 -0.643 . . . . 74.43 109.881 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 75.4 mmtt -111.83 177.77 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 73.24 111.19 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 55.1 tptt -66.14 115.0 5.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.772 -0.649 . . . . 65.12 110.777 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.89 -24.98 5.36 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.767 -0.73 . . . . 70.33 112.459 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' A' ' 89' ' ' ALA . 9.8 p -71.27 -20.57 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.043 0.449 . . . . 75.03 111.468 -175.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.02 3.1 47.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.141 0.496 . . . . 42.21 110.796 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.9 87.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 75.23 109.675 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.69 165.1 22.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.912 -0.585 . . . . 55.4 110.122 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.559 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 29.6 t70 -70.45 140.46 51.97 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.485 -0.561 . . . . 75.53 109.485 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.136 0.493 . . . . 61.04 111.096 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 1.4 ttp180 -86.1 -21.75 27.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 73.11 110.765 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 97' ' ' ASP . . . -71.75 -5.19 32.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 74.21 112.615 -173.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 102' ' ' SER . 4.3 pp -68.22 -24.8 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 74.21 110.204 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.421 ' N ' HD12 ' A' ' 101' ' ' LEU . 16.2 m -72.78 -22.07 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.877 -0.601 . . . . 71.32 110.429 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.72 -46.5 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 64.43 109.758 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.65 74.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 73.14 110.748 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.1 -37.29 87.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 63.43 111.38 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.584 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -72.29 -31.21 65.52 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 120.707 -0.397 . . . . 75.51 110.225 -177.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.584 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -69.94 -37.48 75.87 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.844 -0.798 . . . . 75.11 108.844 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.639 ' HG ' HH22 ' A' ' 76' ' ' ARG . 44.5 tp -77.89 4.04 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.13 -0.941 . . . . 72.32 110.703 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -116.02 -63.11 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.989 -0.55 . . . . 71.23 109.995 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -64.15 -51.91 61.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 72.23 111.972 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -72.5 -22.93 60.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.003 0.43 . . . . 72.34 110.38 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 58.1 t-80 -77.83 -48.66 15.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 74.11 110.784 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 31.2 t -62.05 -37.94 86.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.192 0.52 . . . . 75.02 110.27 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -84.69 6.59 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.33 111.066 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.427 HD21 ' HB1' ' A' ' 28' ' ' ALA . 46.2 tp -95.01 -33.09 12.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 75.11 110.049 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.74 60.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 74.12 110.565 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.909 -0.587 . . . . 72.32 109.654 178.125 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.521 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 11.1 mm-40 . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.577 0.227 . . . . 74.12 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -66.23 -28.29 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.221 0.534 . . . . 74.31 110.38 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -93.8 -29.88 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 73.21 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -70.14 -35.79 74.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 75.12 110.745 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.802 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 10.6 p -76.63 -23.24 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 43.12 110.619 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -70.53 -21.12 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.252 0.548 . . . . 72.42 110.56 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.99 -62.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 74.33 111.722 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -159.79 89.26 1.91 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 73.24 110.114 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -97.75 148.98 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.367 2.711 . . . . 70.43 113.232 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HB3' HD22 ' A' ' 115' ' ' LEU . 87.2 mm-40 -88.29 97.31 10.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.819 -0.808 . . . . 55.3 108.819 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.71 ' HE ' HG23 ' A' ' 34' ' ' THR . 2.6 tmt_? -82.52 116.62 22.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.692 -0.686 . . . . 70.44 110.642 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.43 129.44 31.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.711 -0.677 . . . . 70.14 109.774 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.65 -164.06 31.96 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.437 -0.887 . . . . 74.21 112.412 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.514 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 46.2 p -123.63 176.23 2.33 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.071 -0.344 . . . . 73.31 110.071 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.514 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_exo -62.94 -14.35 40.7 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.482 2.121 . . . . 52.33 112.398 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -87.64 -41.65 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 73.53 110.399 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.8 tt -143.18 127.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 71.21 110.951 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.71 HG23 ' HE ' ' A' ' 27' ' ' ARG . 52.1 m -117.33 121.48 41.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.011 0.434 . . . . 62.14 111.353 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.503 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 60.4 mt -104.45 118.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 60.53 110.134 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.634 ' HB2' HG11 ' A' ' 86' ' ' VAL . 89.2 mt -101.28 105.69 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.36 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.54 2.69 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.475 -0.869 . . . . 53.35 112.169 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.802 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 2.0 tmt_? -91.43 136.5 33.07 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.132 -0.692 . . . . 64.35 109.132 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 83' ' ' MET . 3.3 mm? -66.35 87.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.394 -0.366 . . . . 73.3 110.191 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.761 ' HB3' ' HB2' ' A' ' 84' ' ' ASP . 36.5 t30 -125.44 115.94 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.228 -0.656 . . . . 75.0 109.228 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 t -80.39 86.08 5.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.315 0.579 . . . . 74.12 110.484 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 46' ' ' ARG . 36.4 tp -94.93 -11.96 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.635 -0.711 . . . . 74.05 109.726 175.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.85 15.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.734 -0.666 . . . . 74.12 112.199 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -133.49 148.7 69.85 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.565 -0.531 . . . . 65.55 109.565 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.46 110.13 1.01 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.728 2.285 . . . . 75.21 111.689 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HD2' HD21 ' A' ' 42' ' ' LEU . 45.2 ttt180 -95.41 134.47 38.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.855 -0.611 . . . . 73.25 110.356 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 tt -121.59 127.52 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.223 0.535 . . . . 74.4 110.676 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.02 127.68 4.66 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.275 -0.73 . . . . 71.14 111.275 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 ' HG ' HG23 ' A' ' 51' ' ' VAL . 33.8 tp -100.54 121.41 41.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 117.223 0.512 . . . . 74.14 110.654 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -119.8 100.91 7.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.045 -0.525 . . . . 75.32 110.124 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.465 HG23 ' HG ' ' A' ' 49' ' ' LEU . 50.9 t -129.04 127.99 66.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 71.04 110.473 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.76 160.59 19.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.345 -0.389 . . . . 51.12 110.423 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -73.14 -11.15 60.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.335 0.588 . . . . 74.13 110.43 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.415 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 35.1 mmtp -81.19 -22.91 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 73.24 110.263 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.66 -55.58 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.707 -0.678 . . . . 63.41 109.63 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 62' ' ' ARG . 61.9 t -109.52 109.73 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.373 -0.83 . . . . 61.02 109.509 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -73.57 2.1 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 71.1 111.854 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.1 mmp_? -123.96 175.05 7.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.912 0.387 . . . . 74.24 110.981 -175.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.69 -46.8 2.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.16 -0.473 . . . . 70.31 110.747 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -67.04 -45.83 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 71.53 110.191 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 19.3 mp0 -59.74 -35.9 75.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.581 -0.736 . . . . 74.35 110.318 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.535 ' HB2' HG13 ' A' ' 56' ' ' VAL . 2.6 ttp180 -70.1 -29.71 66.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 75.15 111.094 -178.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.29 -38.7 84.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.666 -0.243 . . . . 72.3 110.832 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -75.82 -17.96 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.657 -0.247 . . . . 73.44 111.16 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mm -63.89 -43.68 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 71.55 110.515 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HB3' HD21 ' A' ' 49' ' ' LEU . 23.5 pttm -78.79 -17.66 55.39 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.634 -0.426 . . . . 73.22 110.223 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.4 mmp_? -71.75 -41.13 68.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.208 0.528 . . . . 75.14 109.972 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.78 -36.61 82.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 64.13 110.414 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.1 p -86.87 -40.72 14.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.728 0.64 . . . . 72.14 112.728 -174.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -72.28 -36.47 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.786 -0.366 . . . . 73.15 111.03 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -15.64 59.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 71.3 111.683 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.42 ' HB3' HD11 ' A' ' 105' ' ' LEU . 19.3 p -95.26 -45.39 7.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.772 -0.371 . . . . 63.42 111.321 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.503 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 20.9 m-85 -59.83 -48.97 79.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.887 0.375 . . . . 72.31 111.193 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -86.94 23.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 74.25 111.509 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.85 -15.42 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.562 0.696 . . . . 71.21 109.513 172.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.417 ' HD3' ' OE1' ' A' ' 79' ' ' GLU . 12.8 tpp180 -118.99 26.9 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 72.04 109.893 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.59 9.46 2.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.746 -0.661 . . . . 72.31 112.014 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -95.28 -49.47 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.831 -0.433 . . . . 74.52 109.831 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 29.5 mp0 -84.12 2.22 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 73.13 110.524 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.0 tp -117.16 121.95 31.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.784 -0.644 . . . . 71.24 109.951 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.593 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 22.3 Cg_exo -65.92 168.24 15.87 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.039 2.493 . . . . 65.45 112.24 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.76 97.97 11.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.123 -0.489 . . . . 74.24 112.133 -173.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.593 ' SD ' ' HB2' ' A' ' 81' ' ' PRO . 4.3 mpp? -133.6 -174.0 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.493 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.761 ' HB2' ' HB3' ' A' ' 40' ' ' ASN . 3.8 t0 -103.71 118.16 36.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.942 -0.762 . . . . 74.51 108.942 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CZ ' ' HE1' ' A' ' 83' ' ' MET . 49.2 m-85 -117.48 109.07 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.003 0.43 . . . . 73.23 111.324 -174.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' A' ' 36' ' ' LEU . 4.8 p -95.84 115.68 35.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.668 0.746 . . . . 64.04 109.668 173.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 35' ' ' ILE . 44.8 t -98.12 119.38 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.516 -0.766 . . . . 65.32 110.318 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.74 103.95 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.897 -0.592 . . . . 73.31 110.232 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.504 ' HB3' HG12 ' A' ' 93' ' ' VAL . . . -74.29 132.89 42.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.436 -0.579 . . . . 61.33 109.436 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -94.48 -171.91 2.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.81 0.338 . . . . 70.42 110.713 -175.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' A' ' 54' ' ' LYS . 39.2 ttmt -80.4 130.49 35.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.167 -0.469 . . . . 75.01 110.985 -174.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.56 -9.99 55.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.655 -0.783 . . . . 72.23 112.995 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 89' ' ' ALA . 11.8 p -63.59 -24.03 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.94 0.4 . . . . 60.22 111.388 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 1.86 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 71.0 111.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -108.18 17.01 22.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 61.32 110.448 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.54 156.65 29.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 73.4 111.734 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.46 157.93 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.703 -0.68 . . . . 73.1 110.108 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.94 -26.44 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 64.1 110.87 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -90.57 -32.57 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 72.21 110.677 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.39 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.737 -0.665 . . . . 63.21 112.184 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 4.1 pp -64.2 -22.72 67.05 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.584 0.23 . . . . 75.42 111.491 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 t -94.2 -37.98 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 70.12 109.885 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 15.8 mm-40 -62.38 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.472 -0.785 . . . . 60.44 111.28 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.37 -21.66 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 75.03 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 45.2 tp -65.6 -45.18 84.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.077 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.46 -29.29 68.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 61.5 110.873 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 32.2 mmmt -66.23 -42.4 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 74.44 110.129 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.68 -52.53 65.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.699 . . . . 52.33 110.7 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -57.37 -54.41 47.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.963 0.411 . . . . 73.22 111.459 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -58.71 -47.14 85.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.409 -0.814 . . . . 75.14 111.747 -171.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -77.77 -37.33 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.77 -0.372 . . . . 73.42 111.357 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -67.95 -28.16 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.628 0.251 . . . . 73.21 110.57 -176.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 42.1 t -68.56 -49.11 61.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.277 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -58.56 -41.2 85.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.911 0.386 . . . . 74.21 110.903 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.443 HD22 ' HB3' ' A' ' 26' ' ' GLN . 50.4 tp -62.66 -31.82 72.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 74.1 110.863 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.99 -9.98 57.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 74.43 111.204 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 11.2 mmm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 74.03 110.26 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 112.067 0.395 . . . . 71.32 112.067 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.03 -37.54 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.024 0.44 . . . . 75.43 110.73 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.0 -14.22 61.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 45.33 110.578 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 74.5 t80 -99.22 -49.68 4.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.436 . . . . 62.42 111.022 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.455 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 33.4 m -70.48 -23.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.051 0.389 . . . . 75.5 112.051 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -81.61 -9.78 59.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 74.23 111.138 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 78.5 mt-30 -64.25 -65.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 44.43 111.1 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.469 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 49.0 mt-30 -127.42 77.93 75.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.537 -0.301 . . . . 63.1 110.555 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HB2' HD12 ' A' ' 36' ' ' LEU . 93.2 Cg_endo -96.27 165.58 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.184 2.589 . . . . 72.42 113.083 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -101.39 125.7 48.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 71.14 110.01 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -72.26 103.7 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.774 -0.648 . . . . 74.35 110.488 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.15 177.06 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.246 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' A' ' 108' ' ' LEU . . . 78.39 -131.22 10.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.599 -0.81 . . . . 70.3 111.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.569 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -132.65 169.53 13.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.29 -0.263 . . . . 74.31 110.29 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_endo -67.78 -6.55 17.12 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.258 1.972 . . . . 73.53 112.118 171.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -92.87 -52.17 4.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 75.14 109.624 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -124.01 103.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.746 -0.661 . . . . 75.45 109.474 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 m -97.41 130.11 44.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 75.52 111.23 -173.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.428 HD11 HD23 ' A' ' 108' ' ' LEU . 65.5 mt -107.69 122.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 74.15 109.971 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -110.54 117.47 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.006 -0.368 . . . . 54.54 110.006 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.666 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -128.57 143.18 14.22 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.075 -1.06 . . . . 74.11 112.831 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.604 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 3.2 mmp_? -132.52 -177.07 4.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.28 -0.267 . . . . 42.12 110.28 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.86 98.4 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 72.54 110.038 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.466 ' HB3' ' HA ' ' A' ' 83' ' ' MET . 24.6 t-20 -78.56 118.04 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.065 -0.516 . . . . 75.02 110.197 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -93.67 1.69 56.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.855 0.359 . . . . 70.35 111.41 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.87 -33.01 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 71.31 110.514 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.65 82.78 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.912 -0.661 . . . . 71.34 112.289 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -149.01 102.67 3.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.849 0.357 . . . . 73.44 110.066 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD3' ' HB1' ' A' ' 82' ' ' ALA . 90.1 Cg_endo -84.87 158.58 11.83 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.703 2.269 . . . . 71.13 113.572 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -129.41 105.72 8.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.648 -0.871 . . . . 74.22 108.648 171.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -81.61 123.38 37.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.618 0.723 . . . . 65.44 110.576 -173.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.15 154.72 22.07 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.461 -0.791 . . . . 73.44 111.731 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 tp -105.79 117.15 33.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.844 0.354 . . . . 64.01 110.521 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -92.66 95.18 9.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.26 -0.427 . . . . 73.22 109.981 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.425 ' HB ' ' HB1' ' A' ' 89' ' ' ALA . 7.4 p -136.6 129.5 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.905 -0.589 . . . . 74.21 109.427 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.14 163.3 25.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.232 -0.285 . . . . 63.12 110.232 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -43.26 76.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 63.12 111.748 -172.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -103.22 16.33 26.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.182 0.438 . . . . 65.44 112.182 -172.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 10.0 m120 -79.87 -23.7 41.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 75.34 109.874 174.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.0 137.75 21.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 74.02 109.708 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.8 -38.62 46.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.277 0.56 . . . . 74.23 110.059 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.514 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.6 mmp_? -114.67 114.58 25.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.183 -0.673 . . . . 75.1 109.183 174.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.65 -58.27 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.661 0.985 . . . . 75.24 113.661 -168.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -65.26 -8.81 19.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.69 0.996 . . . . 72.14 113.69 -171.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -74.61 -6.57 49.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.701 0.63 . . . . 54.34 112.701 -175.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -27.0 64.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.115 -0.634 . . . . 72.15 109.551 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.58 -20.66 56.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 74.32 109.915 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -71.64 -52.01 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.635 -0.711 . . . . 73.03 109.435 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.5 -43.14 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.139 -0.937 . . . . 74.15 111.833 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -70.41 -29.21 65.76 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 64.5 111.385 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -76.44 -33.39 58.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 74.41 110.915 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.22 -45.0 78.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.275 0.56 . . . . 72.02 109.835 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.4 p -77.94 -56.99 4.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.74 -0.663 . . . . 72.23 112.43 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.459 ' HG2' HD12 ' A' ' 47' ' ' ILE . 42.4 mtp180 -65.74 -22.3 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.509 0.559 . . . . 73.14 112.509 -170.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -79.88 -44.51 20.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.971 0.415 . . . . 72.32 110.515 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.8 m -60.38 -34.23 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.748 -0.66 . . . . 64.53 111.997 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CD1' HG13 ' A' ' 47' ' ' ILE . 21.7 m-85 -64.3 -23.84 67.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 72.2 111.81 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -106.4 14.67 27.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.366 0.603 . . . . 74.22 110.293 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.49 -49.8 2.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.722 -0.672 . . . . 73.13 109.518 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -97.71 38.07 1.32 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.735 -0.666 . . . . 73.45 109.557 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -14.57 62.69 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.966 0.728 . . . . 65.42 112.966 -168.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -80.33 -27.83 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 74.44 110.794 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -87.0 -22.61 25.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.679 -0.691 . . . . 74.53 111.861 -168.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -116.99 152.6 48.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.698 -0.401 . . . . 63.04 110.606 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.16 151.04 60.67 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.612 2.208 . . . . 71.04 111.602 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' HB1' ' HD3' ' A' ' 45' ' ' PRO . . . -75.44 78.8 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 63.33 110.936 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.466 ' HA ' ' HB3' ' A' ' 40' ' ' ASN . 65.3 mtt -130.07 153.35 48.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 73.45 109.251 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.2 106.1 17.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.928 0.871 . . . . 74.21 110.805 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.666 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 80.5 m-85 -101.38 100.06 10.49 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.997 -1.002 . . . . 74.43 109.006 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.94 124.68 33.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.465 0.65 . . . . 71.0 110.494 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.1 t -94.38 120.93 44.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.62 -0.718 . . . . 75.33 110.07 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.6 t -113.12 119.95 61.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.431 . . . . 72.23 109.899 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HB1' ' HB ' ' A' ' 51' ' ' VAL . . . -92.72 128.06 38.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.124 -0.489 . . . . 62.01 110.579 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.8 mmpt? -91.81 156.31 17.61 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.52 -0.548 . . . . 63.13 109.52 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 14.6 ptmm? -65.06 136.21 56.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 72.25 110.438 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.93 -9.56 40.06 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.617 -0.802 . . . . 72.3 112.257 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.2 -23.52 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.198 0.523 . . . . 64.01 110.812 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.77 9.74 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 61.31 111.357 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.98 13.2 33.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.737 0.779 . . . . 65.43 109.897 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.38 154.5 20.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 71.2 110.664 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.558 ' OD2' ' HB3' ' A' ' 99' ' ' ARG . 5.1 t70 -71.16 143.74 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 75.2 110.209 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.31 -41.01 88.04 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 71.0 111.063 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.558 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 20.7 ttp180 -66.48 -42.54 87.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.181 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -21.97 66.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 73.31 111.995 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.4 mt -60.61 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 73.21 110.651 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.0 t -69.42 -32.43 71.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 55.2 110.148 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.43 -21.38 61.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 51.43 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.02 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.489 . . . . 64.01 110.564 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.11 -45.71 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 70.41 109.989 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.552 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 3.1 pt-20 -61.93 -38.33 88.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 65.35 110.671 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.552 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 13.7 mmmm -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.372 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' A' ' 29' ' ' GLY . 11.0 mp -64.72 -40.01 94.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 74.43 110.552 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.45 -48.82 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.558 -0.292 . . . . 74.05 111.213 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -57.47 -43.81 84.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 73.15 110.374 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.54 -44.32 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.737 -0.665 . . . . 74.53 110.142 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -68.82 -39.75 79.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.475 -0.784 . . . . 73.54 111.672 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.57 -47.46 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.762 0.315 . . . . 65.05 110.84 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -61.45 -39.43 90.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.26 -0.427 . . . . 75.44 110.717 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.33 -36.34 81.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.815 -0.629 . . . . 54.42 110.737 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.0 62.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.396 . . . . 74.25 111.428 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.607 176.595 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.545 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 21.0 tt0 . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.907 0.384 . . . . 71.12 111.048 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -59.63 -39.67 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.392 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -73.43 -25.69 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.066 0.46 . . . . 54.44 110.972 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -85.82 -39.27 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 72.01 110.934 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' A' ' 25' ' ' PRO . 9.8 p -76.62 -27.12 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 61.52 110.917 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.29 -23.93 67.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 74.02 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -67.15 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.913 -0.585 . . . . 62.35 111.262 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -144.47 90.18 6.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.592 -0.276 . . . . 63.04 111.199 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HB3' HG21 ' A' ' 21' ' ' VAL . 59.7 Cg_endo -95.98 165.42 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.061 2.507 . . . . 72.14 111.913 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 4.1 pt20 -86.05 106.8 17.46 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.235 -0.654 . . . . 75.51 109.235 173.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -81.76 90.76 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.512 . . . . 71.03 109.774 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' ' HG3' ' A' ' 111' ' ' ARG . . . -130.08 106.64 8.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.822 -0.626 . . . . 71.24 110.094 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.0 -160.9 32.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.846 -0.902 . . . . 55.41 110.846 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.9 p -108.62 167.49 9.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.863 0.332 . . . . 71.24 110.171 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 14.7 Cg_exo -69.99 -9.81 26.91 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.636 2.224 . . . . 74.0 111.852 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -89.33 -48.8 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 73.05 109.726 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.63 102.91 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.686 0.755 . . . . 73.03 109.724 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -99.28 110.06 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.541 -0.754 . . . . 63.02 110.926 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -92.48 109.62 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 75.15 110.292 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.93 107.17 16.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.367 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -121.26 150.38 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.43 -0.89 . . . . 71.13 112.491 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -144.07 130.59 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.035 0.445 . . . . 73.21 110.415 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.2 pt? -72.87 135.59 45.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 64.3 110.77 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -140.21 161.82 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.301 -0.629 . . . . 74.32 109.301 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -60.31 -29.84 69.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.727 0.269 . . . . 64.31 111.727 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.4 -65.01 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.737 -0.468 . . . . 74.31 109.737 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 83' ' ' MET . . . 59.73 54.58 36.39 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.574 -0.739 . . . . 43.15 113.205 174.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -125.13 83.49 60.55 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.007 -0.738 . . . . 74.2 109.007 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -41.59 95.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.724 3.616 . . . . 72.21 114.781 -166.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -94.1 86.27 4.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.169 -1.048 . . . . 75.54 108.169 172.274 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 tt -59.64 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.845 0.831 . . . . 64.54 111.434 -174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.07 74.71 1.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.491 -0.777 . . . . 62.22 112.488 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 66' ' ' LYS . 66.9 tp -76.22 115.56 16.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.925 0.393 . . . . 74.13 110.052 177.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.079 -0.509 . . . . 71.02 110.484 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.45 139.23 32.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.887 -0.597 . . . . 63.45 110.162 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.68 -173.84 3.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.397 -0.365 . . . . 74.33 110.264 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -95.43 1.14 54.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.008 0.433 . . . . 74.1 110.854 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -91.49 -20.68 21.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.331 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.472 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.8 p-10 -110.18 -29.43 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.895 -0.593 . . . . 71.34 110.009 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.5 t -126.3 94.07 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.802 -0.635 . . . . 64.42 109.698 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -85.97 38.88 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.651 0.738 . . . . 75.22 109.614 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.648 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 21.9 mmt180 -137.75 134.04 34.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 72.2 111.007 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -50.77 16.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 70.14 111.548 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -49.87 51.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.369 0.604 . . . . 73.21 110.045 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.648 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 16.0 mp0 -59.03 -35.13 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.933 -1.03 . . . . 72.54 111.263 -175.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 62' ' ' ARG . 11.8 ttm180 -59.55 -45.73 90.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.221 0.534 . . . . 74.51 110.167 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -70.59 -32.3 69.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.612 -0.722 . . . . 75.33 111.184 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.406 ' NH2' ' HA ' ' A' ' 97' ' ' ASP . 25.8 mtm180 -60.87 -41.61 96.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.727 0.299 . . . . 72.41 110.259 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.9 mm -65.15 -43.12 95.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 74.31 110.383 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 49' ' ' LEU . 58.7 mtpt -65.16 -40.55 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 72.11 110.887 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.25 -50.1 64.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 111.241 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' A' ' 101' ' ' LEU . 3.2 tm? -56.57 -48.8 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.083 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 p -68.91 -54.17 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.487 -0.324 . . . . 72.02 111.241 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -59.61 -31.69 69.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.518 . . . . 72.22 111.859 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -81.14 -21.95 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.8 0.333 . . . . 75.54 111.294 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 m -98.68 -44.68 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.009 0.374 . . . . 74.12 112.009 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -59.84 -37.34 78.98 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.872 0.368 . . . . 73.44 111.643 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -71.45 -32.54 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.004 0.43 . . . . 73.45 111.41 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.9 1.82 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.459 0.54 . . . . 71.12 112.459 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.451 HH21 ' CD ' ' A' ' 79' ' ' GLU . 23.7 mmm180 -114.15 21.75 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.512 -0.551 . . . . 74.01 109.512 176.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.736 ' HA ' HE21 ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.95 -21.18 64.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.174 -0.921 . . . . 73.42 112.171 -175.566 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.36 -45.31 32.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.847 0.356 . . . . 61.1 111.126 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 76' ' ' ARG . 13.4 pt-20 -89.09 -33.97 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 64.11 110.885 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.41 HD12 ' HD2' ' A' ' 81' ' ' PRO . 46.3 tp -95.21 111.2 54.12 Favored Pre-proline 0 N--CA 1.448 -0.532 0 N-CA-C 109.011 -0.737 . . . . 52.24 109.011 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' HD12 ' A' ' 80' ' ' LEU . 10.0 Cg_endo -52.64 137.53 58.78 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.081 2.521 . . . . 75.23 112.412 -176.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.81 104.84 0.21 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.787 -0.642 . . . . 53.32 110.668 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.483 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 26.0 ptt? -147.89 168.62 21.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 72.23 109.431 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.545 ' HB3' ' HG3' ' A' ' 17' ' ' GLN . 3.3 m-20 -96.67 141.53 29.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.01 0.433 . . . . 64.13 110.527 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.06 148.41 26.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 72.52 111.64 -173.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.89 133.69 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 71.51 109.439 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 t -110.52 108.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.86 -0.422 . . . . 73.12 109.86 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.34 104.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.691 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -94.53 125.85 39.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.28 -0.637 . . . . 73.3 109.28 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 31' ' ' PRO . 85.7 mttt -101.98 -161.92 0.89 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.387 . . . . 70.13 111.635 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -78.85 113.28 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.84 -173.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 -10.68 8.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.621 -0.799 . . . . 72.23 112.791 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 89' ' ' ALA . 11.9 p -61.5 -22.69 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.087 0.47 . . . . 72.15 111.593 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.9 -6.47 49.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 63.31 111.463 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.81 -16.02 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 72.25 110.469 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.32 114.29 14.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 75.03 110.215 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.406 ' HA ' ' NH2' ' A' ' 64' ' ' ARG . 53.4 m-20 -97.13 -169.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.063 -0.517 . . . . 73.34 111.14 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -47.45 -46.4 26.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.661 0.785 . . . . 73.34 113.093 -172.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -84.95 -37.5 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 75.23 110.602 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.12 98.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.722 -0.672 . . . . 64.21 111.415 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.467 ' HB2' ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -67.69 -19.89 65.22 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.639 -0.255 . . . . 72.3 111.485 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.45 ' HG ' HD12 ' A' ' 101' ' ' LEU . 37.4 m -80.9 -42.93 20.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 72.22 110.289 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.98 -23.08 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.959 -0.564 . . . . 72.23 111.063 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.25 -30.28 30.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.382 . . . . 64.55 110.687 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 108' ' ' LEU . 3.2 tm? -63.49 -47.83 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.761 -0.654 . . . . 72.44 110.298 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -26.36 66.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.507 -177.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -68.45 -60.12 2.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.187 0.517 . . . . 64.31 110.109 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.508 HD13 HD23 ' A' ' 105' ' ' LEU . 4.2 pp -67.95 -29.67 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 70.42 110.86 -176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -59.83 -60.52 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.51 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -68.3 -25.75 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.563 -0.289 . . . . 75.12 111.552 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.498 ' HG3' ' HB2' ' A' ' 28' ' ' ALA . 21.2 tpp180 -62.76 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 74.41 110.465 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -85.43 -34.7 21.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 64.42 110.685 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 39.3 t -62.82 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 71.54 110.989 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 114' ' ' ARG . 15.5 mmt180 -98.59 17.05 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 71.41 111.245 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 54.1 tp -117.81 -32.2 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.214 0.531 . . . . 71.31 110.128 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.21 -2.86 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 61.54 111.72 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 70.2 110.423 179.025 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 112.041 0.386 . . . . 73.21 112.041 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.05 -45.46 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 71.43 110.371 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -69.63 -23.39 63.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.095 0.474 . . . . 64.35 110.618 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -78.17 -46.24 21.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.605 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' A' ' 38' ' ' ARG . 31.4 m -75.18 -24.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 72.53 111.286 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -73.78 -15.53 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.429 -0.35 . . . . 74.01 110.986 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.62 -54.45 46.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 74.31 110.206 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -163.13 96.13 1.08 Allowed Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.825 -0.625 . . . . 74.11 109.609 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HG2' HD22 ' A' ' 36' ' ' LEU . 87.8 Cg_endo -94.71 178.42 0.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.339 2.692 . . . . 64.13 112.556 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -91.95 98.52 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.983 -0.553 . . . . 62.53 109.591 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.48 102.71 4.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.689 -0.486 . . . . 73.43 109.689 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.64 110.3 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.474 -0.33 . . . . 52.33 110.786 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.05 -170.43 30.77 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.233 -0.747 . . . . 72.13 111.233 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.501 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 44.5 p -92.96 171.58 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 117.151 0.475 . . . . 42.22 110.245 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 47.0 Cg_exo -57.95 -45.11 34.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.585 2.19 . . . . 71.4 112.564 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -60.26 -48.51 81.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.468 -0.333 . . . . 70.01 111.297 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tt -114.13 98.68 7.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.895 0.855 . . . . 74.12 110.457 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -98.53 97.47 8.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 72.25 111.017 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.8 mp -83.36 116.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.762 -0.458 . . . . 70.05 109.762 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 25' ' ' PRO . 90.4 mt -114.65 133.6 55.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.297 -0.41 . . . . 72.33 110.59 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.18 145.59 12.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.856 -0.688 . . . . 61.54 111.81 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HB3' HG12 ' A' ' 21' ' ' VAL . 35.8 ttt85 -142.09 139.6 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.599 -0.519 . . . . 74.33 109.599 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.56 111.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.033 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -142.95 168.43 19.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.35 -0.841 . . . . 74.32 109.044 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -70.9 84.97 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 75.43 110.156 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.434 HD11 ' HG3' ' A' ' 83' ' ' MET . 82.3 mt -122.08 -65.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.958 -0.564 . . . . 71.3 109.845 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.15 30.12 74.84 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.941 -0.572 . . . . 63.2 113.178 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 38.3 m80 -134.36 121.37 15.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.949 -0.389 . . . . 75.32 109.949 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 6.8 Cg_exo -72.48 97.44 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.789 2.326 . . . . 55.15 111.381 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -146.09 133.26 20.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.071 -0.513 . . . . 72.45 110.417 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 tt -84.99 117.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.268 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.69 54.26 4.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.06 -0.59 . . . . 72.41 111.912 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.542 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 63.5 tp -62.28 112.95 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.995 0.426 . . . . 43.25 110.68 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -108.81 91.31 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.348 0.594 . . . . 73.13 110.293 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.432 ' HA ' ' ND2' ' A' ' 55' ' ' ASN . 3.1 p -111.08 102.46 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 74.42 110.074 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 174.23 7.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 61.03 111.403 -175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -57.25 -28.45 62.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.567 -0.742 . . . . 75.12 111.951 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -94.24 2.59 55.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 64.52 111.543 -175.325 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 3.8 m-20 -84.85 -48.23 9.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.297 0.57 . . . . 74.43 109.627 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' HB3' ' A' ' 62' ' ' ARG . 38.8 t -132.47 116.82 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.526 -0.761 . . . . 75.32 109.679 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.99 -35.74 81.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 73.31 110.557 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.09 113.31 9.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.508 . . . . 70.32 109.933 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -63.87 -32.86 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.041 0.448 . . . . 62.24 111.228 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -66.87 -37.46 84.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.156 0.503 . . . . 74.51 110.601 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.51 -18.66 32.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 75.43 112.015 -172.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 5.8 ptp180 -73.47 -13.97 61.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.275 0.56 . . . . 75.4 109.733 175.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.79 -27.44 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 60.22 109.366 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -59.15 -43.93 92.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.324 -0.853 . . . . 75.52 110.813 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.91 -33.76 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 115.943 -0.571 . . . . 62.54 110.837 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 59.8 mttp -66.89 -45.72 77.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.017 -0.538 . . . . 74.22 110.748 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -70.04 -19.68 63.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 74.33 111.374 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 101' ' ' LEU . 3.0 tm? -85.13 -58.51 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 73.34 110.541 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -67.63 -31.3 71.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.454 . . . . 74.01 112.021 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -71.83 -18.16 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.994 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.57 -37.34 79.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 74.12 110.937 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' HD11 ' A' ' 105' ' ' LEU . 4.3 m -79.0 -58.88 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.59 . . . . 64.12 111.895 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -62.36 -27.58 69.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.24 0.459 . . . . 73.14 112.24 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -76.56 -25.83 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.371 . . . . 74.21 111.285 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 75' ' ' LEU . 2.0 tm? -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 64.32 110.331 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -95.67 44.53 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.337 0.589 . . . . 74.11 110.002 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -4.79 56.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.878 0.696 . . . . 71.0 112.878 -168.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -110.2 -18.02 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.594 0.59 . . . . 74.32 112.594 -177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HA ' HH21 ' A' ' 117' ' ' ARG . 41.9 tt0 -72.7 -44.73 61.38 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.653 -0.419 . . . . 74.24 110.073 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 pp -92.68 154.86 42.28 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 62.3 110.376 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.68 147.61 76.21 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.801 2.334 . . . . 70.03 112.397 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.05 95.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 70.41 111.054 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.434 ' HG3' HD11 ' A' ' 42' ' ' LEU . 41.4 ttm -147.2 154.88 41.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 71.01 109.843 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.48 92.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.866 -0.42 . . . . 72.11 109.866 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -74.97 94.71 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.619 -0.511 . . . . 73.45 109.619 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -72.19 101.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.261 0.553 . . . . 74.13 110.452 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.542 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 58.0 t -86.86 98.0 6.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.663 -0.699 . . . . 73.53 110.1 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.1 t -88.27 102.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.754 -0.657 . . . . 73.21 109.807 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.41 ' HB3' HD21 ' A' ' 55' ' ' ASN . . . -84.36 149.34 26.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.836 -0.62 . . . . 74.23 110.375 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -109.53 174.79 5.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.589 -0.523 . . . . 63.14 109.589 175.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -76.35 104.54 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 63.42 108.994 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.75 -5.1 1.09 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.673 -0.775 . . . . 64.01 112.308 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 89' ' ' ALA . 17.3 m -66.08 -19.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 74.44 111.482 177.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.9 3.7 55.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 75.3 110.781 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.11 -16.96 33.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 74.3 110.092 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.01 139.13 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 75.53 111.045 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.58 161.43 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.757 -0.656 . . . . 73.25 110.718 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.08 -43.11 77.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.315 -0.402 . . . . 71.34 111.745 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -82.41 -23.43 34.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 75.33 110.714 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.44 71.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.914 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.563 HD11 ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -72.25 -29.42 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.538 -0.301 . . . . 72.35 111.201 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.478 ' N ' HD12 ' A' ' 101' ' ' LEU . 74.5 p -75.63 -25.91 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 74.21 110.15 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -69.6 -52.54 25.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.869 -0.605 . . . . 75.35 109.563 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -59.17 -30.71 68.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.877 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 7.2 tt -54.57 -52.5 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.426 -0.806 . . . . 65.42 110.912 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.1 OUTLIER -69.08 -26.6 65.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.702 -0.399 . . . . 45.22 111.037 -176.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.537 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.7 mmmt -66.41 -43.35 86.02 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.864 -0.421 . . . . 63.52 109.864 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -78.24 -29.68 48.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 70.31 110.525 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -62.26 -56.62 16.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.265 . . . . 74.12 110.539 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.3 -30.96 70.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.075 0.464 . . . . 72.32 110.579 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -66.08 -43.83 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.818 -0.628 . . . . 74.05 110.326 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.78 -40.8 83.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.482 -0.326 . . . . 74.0 110.798 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.7 -48.92 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.469 0.481 . . . . 65.2 111.395 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.52 -36.28 71.0 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.522 -0.308 . . . . 75.32 111.263 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.12 -47.7 34.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 -0.274 . . . . 72.42 110.717 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.27 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.171 0.51 . . . . 63.13 111.069 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.44 HH21 ' HA ' ' A' ' 79' ' ' GLU . 77.4 mtt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.503 0.668 . . . . 65.33 109.491 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 21' ' ' VAL . 79.5 mt-30 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 64.11 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.63 -43.92 76.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 64.14 110.856 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.09 12.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.763 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.468 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 52.3 t80 -130.36 -47.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.079 -0.388 . . . . 63.41 111.09 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 17' ' ' GLN . 36.0 m -79.95 -23.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.674 0.273 . . . . 74.21 111.617 -177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -79.14 -7.43 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 73.42 110.667 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 73.9 mt-30 -60.77 -44.53 96.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 54.44 109.91 175.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.85 81.52 14.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 73.34 109.446 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.495 ' HB2' HD22 ' A' ' 36' ' ' LEU . 52.0 Cg_endo -88.9 110.55 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.656 2.237 . . . . 65.22 112.439 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 140.87 41.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.015 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -79.54 97.57 6.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.201 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.81 145.44 48.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 74.51 110.595 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.14 169.74 43.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.944 -0.645 . . . . 73.35 112.691 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.487 HG21 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -60.43 141.75 91.24 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.527 0.331 . . . . 74.11 110.331 178.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.487 ' HD2' HG21 ' A' ' 30' ' ' THR . 51.0 Cg_exo -54.73 -31.6 72.31 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.789 2.326 . . . . 54.24 112.839 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -66.85 -20.26 65.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 72.14 111.381 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 tt -140.63 93.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.995 0.903 . . . . 74.42 109.436 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 m -86.43 102.22 13.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.534 -0.757 . . . . 73.34 111.588 -171.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.506 HG13 HG12 ' A' ' 87' ' ' VAL . 4.5 mp -79.7 101.55 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.373 -0.602 . . . . 75.43 109.373 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.723 ' HB2' HG11 ' A' ' 86' ' ' VAL . 98.7 mt -82.17 102.85 11.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.383 -0.599 . . . . 74.52 109.383 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.22 144.69 15.8 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.488 -0.863 . . . . 54.4 112.893 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -150.55 138.9 20.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.926 -0.768 . . . . 75.44 108.926 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.7 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.6 pt? -61.9 130.25 44.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.883 0.373 . . . . 75.25 110.111 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -134.32 -174.42 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 55.13 110.345 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -107.6 15.08 25.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.89 0.376 . . . . 74.13 110.946 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.26 -59.64 2.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 73.43 110.054 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.93 61.91 5.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.211 -0.519 . . . . 74.11 113.149 174.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.519 ' O ' ' HB3' ' A' ' 84' ' ' ASP . 33.7 m80 -137.11 140.78 32.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 122.672 -0.31 . . . . 74.45 110.589 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 10.8 Cg_exo -72.9 40.59 0.5 Allowed 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 123.177 2.585 . . . . 73.13 112.91 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -90.9 86.66 6.36 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.576 -0.527 . . . . 65.24 109.576 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.544 HD12 ' HB ' ' A' ' 69' ' ' THR . 4.2 tt -71.85 116.71 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.383 -0.826 . . . . 74.44 111.098 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.69 109.99 3.73 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.677 -0.773 . . . . 75.15 112.044 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HG ' HG23 ' A' ' 51' ' ' VAL . 58.1 tp -99.96 130.86 46.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.833 0.349 . . . . 71.42 110.578 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.8 m -110.52 106.92 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 62.51 110.898 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 ' HG ' ' A' ' 49' ' ' LEU . 95.6 t -133.45 124.79 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.481 -0.563 . . . . 70.31 109.481 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' H ' ' HB2' ' A' ' 55' ' ' ASN . . . -131.89 -170.97 2.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.639 -0.255 . . . . 72.14 111.346 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -55.24 -49.77 71.17 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.922 0.764 . . . . 73.23 112.278 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -84.55 -5.86 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.898 -0.321 . . . . 51.23 111.22 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HB2' ' H ' ' A' ' 52' ' ' ALA . 1.6 m-20 -84.95 -57.55 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.294 -0.632 . . . . 53.12 109.294 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.694 ' HB ' ' HG2' ' A' ' 62' ' ' ARG . 42.6 t -133.88 116.99 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.923 -0.769 . . . . 74.12 108.923 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HD2' ' O ' ' A' ' 57' ' ' ARG . 1.9 tmm_? -82.49 -25.67 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.255 -0.429 . . . . 75.41 111.908 -169.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.1 136.66 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.393 . . . . 72.31 111.052 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.06 89.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.715 -0.675 . . . . 75.53 112.736 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -60.3 -35.18 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 74.4 111.217 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 65' ' ' ILE . 10.6 mm-40 -76.36 -26.21 55.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.904 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.694 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 20.5 mtm180 -65.69 -38.66 89.87 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.141 -0.688 . . . . 72.12 109.141 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.4 -30.84 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.281 -0.872 . . . . 73.23 110.48 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -66.68 -36.07 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.42 109.908 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.3 mm -67.4 -31.82 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.262 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.1 -12.46 60.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 71.32 111.041 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 60.9 mtp180 -96.12 -46.22 6.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.347 . . . . 71.22 110.461 175.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.56 -44.71 13.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.65 0.594 . . . . 62.41 110.917 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.544 ' HB ' HD12 ' A' ' 47' ' ' ILE . 18.8 p -85.33 -58.18 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.958 -0.564 . . . . 72.15 111.934 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -62.66 -26.84 68.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 74.03 112.583 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 2.1 tp10 -74.4 -37.63 63.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 73.24 110.284 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 p -91.78 -45.63 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.338 0.495 . . . . 61.3 112.338 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -57.78 -36.54 72.31 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -82.0 -23.26 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.795 -0.362 . . . . 73.43 111.034 -177.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.59 4.34 53.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.333 0.587 . . . . 74.12 110.848 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.498 ' HD3' ' CD1' ' A' ' 109' ' ' TRP . 94.2 mtt180 -126.4 26.59 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.985 -0.552 . . . . 60.34 109.971 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -59.49 -26.51 65.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.35 0.87 . . . . 71.24 113.35 -172.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -91.48 1.02 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.23 0.538 . . . . 75.13 110.911 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.479 ' HG2' ' HZ2' ' A' ' 109' ' ' TRP . 7.4 tp10 -132.31 27.72 4.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.515 -0.92 . . . . 71.44 108.515 176.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.42 124.81 15.13 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.806 -1.088 . . . . 65.14 109.923 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.19 121.36 9.87 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.101 1.867 . . . . 72.45 110.727 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.41 83.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 73.54 111.296 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.55 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 1.6 mmt -140.76 150.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.654 -0.869 . . . . 74.43 108.654 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' HIS . 5.4 p-10 -93.54 134.06 36.2 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.951 0.405 . . . . 74.42 110.333 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 83' ' ' MET . 30.3 m-85 -126.98 163.9 22.67 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.942 -0.572 . . . . 73.11 110.918 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.723 HG11 ' HB2' ' A' ' 36' ' ' LEU . 6.0 p -114.42 112.56 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.543 0.687 . . . . 74.4 109.564 173.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 35' ' ' ILE . 40.6 t -96.8 112.62 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.825 -175.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.57 103.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.999 0.428 . . . . 74.23 110.345 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 125.32 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 73.41 109.781 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -100.19 169.22 9.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.79 0.329 . . . . 65.0 110.579 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.37 110.76 4.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.381 0.61 . . . . 74.22 109.779 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.52 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 149.66 -43.75 0.75 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.765 -0.934 . . . . 45.22 110.765 -176.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.5 p -66.75 -21.56 28.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.515 0.674 . . . . 62.11 110.31 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -17.95 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.67 -0.696 . . . . 62.43 110.728 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.37 75.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.619 . . . . 74.31 110.291 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 85.5 mt -142.23 158.73 43.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 71.55 109.647 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.9 149.72 46.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 75.2 110.346 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -61.25 -32.6 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.713 0.768 . . . . 73.33 109.161 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -63.6 -36.21 83.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.614 -1.175 . . . . 73.14 110.417 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.21 52.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 72.13 111.1 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 91.0 mt -60.37 -38.2 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 74.22 110.045 176.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 t -64.97 -37.15 86.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.84 -0.618 . . . . 72.21 110.328 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 26.1 mm-40 -66.78 -45.77 77.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 71.3 110.609 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.13 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.942 -0.572 . . . . 73.24 111.748 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 101' ' ' LEU . 93.8 mt -59.02 -38.98 80.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.16 -0.473 . . . . 72.12 112.098 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.44 -26.28 23.35 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.755 -0.378 . . . . 73.51 111.653 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 31.1 mmmt -61.89 -40.5 95.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 74.23 110.884 -176.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -84.37 5.51 26.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 75.31 111.351 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.498 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 28.0 t90 -114.44 -47.02 2.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.248 -0.433 . . . . 74.21 111.272 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -57.71 -56.7 18.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.76 0.314 . . . . 72.12 110.481 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -59.56 -27.95 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 71.32 110.715 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -70.2 -55.22 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.438 . . . . 73.52 111.107 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.18 -40.18 62.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 71.45 110.724 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -60.66 -39.73 89.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.473 -0.33 . . . . 75.23 110.886 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.9 -42.49 90.13 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.771 0.32 . . . . 62.12 110.198 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 24.24 111.338 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 73.21 111.468 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 . . . . . 0 C--O 1.227 -0.091 0 N-CA-C 111.385 0.143 . . . . 75.31 111.385 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.35 -33.3 70.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 70.04 110.282 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -91.48 -26.37 18.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.255 0.55 . . . . 71.32 110.28 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -20.1 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 73.24 110.885 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.509 HG13 ' NE ' ' A' ' 38' ' ' ARG . 30.7 m -95.04 -7.85 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 74.53 110.893 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -85.43 9.3 16.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 72.25 111.406 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.495 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 12.8 mm-40 -75.98 -54.59 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 65.43 110.463 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -156.46 88.8 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.16 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -86.77 131.14 3.24 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.936 2.424 . . . . 73.41 111.757 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 13.5 pt20 -82.53 128.57 34.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 72.33 110.158 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.2 106.24 3.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.622 -0.717 . . . . 72.12 110.659 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.19 66.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 65.43 111.001 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.15 -159.7 9.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.919 -0.658 . . . . 33.41 112.077 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.1 p -120.68 166.81 14.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 110.11 -0.33 . . . . 74.32 110.11 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.2 -22.64 53.55 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.568 2.179 . . . . 74.12 112.204 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -86.64 -38.61 16.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 71.01 110.313 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 tt -148.14 118.24 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.338 0.589 . . . . 73.05 109.954 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -106.26 119.47 39.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 75.41 111.53 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.511 HG13 HG13 ' A' ' 87' ' ' VAL . 4.1 mp -95.02 104.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.571 -0.529 . . . . 53.3 109.571 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HB2' HG21 ' A' ' 86' ' ' VAL . 97.0 mt -92.65 132.05 37.22 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.705 -0.479 . . . . 74.03 109.705 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.53 161.11 22.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.009 -1.091 . . . . 73.43 112.483 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.509 ' NE ' HG13 ' A' ' 21' ' ' VAL . 23.1 ptt180 -129.44 151.58 49.92 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.846 -0.427 . . . . 72.13 109.846 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.57 100.93 4.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 71.44 110.588 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -133.18 86.05 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.148 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 m -83.68 36.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 73.22 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.25 7.23 40.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 62.14 110.29 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.82 55.39 11.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.25 -0.5 . . . . 75.31 113.022 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -120.16 90.85 45.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 122.62 -0.341 . . . . 75.45 110.732 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.28 96.44 0.47 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.655 2.236 . . . . 70.31 111.877 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.564 ' HB3' ' HA ' ' A' ' 84' ' ' ASP . 10.9 tpp180 -115.33 112.66 22.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.131 -0.486 . . . . 72.51 110.885 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' HG21 ' A' ' 47' ' ' ILE . 10.6 tt -93.6 80.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 122.096 0.951 . . . . 71.14 108.775 171.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.89 70.35 3.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.288 -0.869 . . . . 74.03 112.316 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HG ' HG23 ' A' ' 51' ' ' VAL . 32.3 tp -65.31 119.72 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.954 0.407 . . . . 74.53 110.232 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -109.83 84.43 1.92 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.276 0.56 . . . . 72.25 110.216 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.631 HG23 ' HG ' ' A' ' 49' ' ' LEU . 86.6 t -113.62 91.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.311 0.577 . . . . 73.41 109.821 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.14 140.41 47.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.568 -0.742 . . . . 64.13 110.026 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -73.85 55.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.846 0.831 . . . . 54.34 111.647 -179.752 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -150.46 -26.95 0.23 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.829 -1.078 . . . . 73.43 109.726 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.464 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -85.14 -30.76 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.799 -0.637 . . . . 74.3 109.693 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -100.02 111.34 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 73.41 108.981 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.98 -42.75 69.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 75.33 111.716 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.607 ' HB3' ' HG2' ' A' ' 61' ' ' GLU . 2.3 tpm_? -94.91 116.04 28.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.244 -0.651 . . . . 75.31 109.244 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -57.81 -40.46 80.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.098 0.777 . . . . 74.51 113.098 -170.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.49 -16.15 63.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.914 0.339 . . . . 75.42 111.914 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HG2' ' HB3' ' A' ' 58' ' ' ARG . 12.1 mm-40 -83.01 -17.18 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.915 0.339 . . . . 72.22 111.915 -171.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 27.0 ptt180 -69.91 -14.57 62.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.79 0.329 . . . . 71.41 111.728 -175.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -67.23 -27.55 67.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.408 -0.36 . . . . 75.2 111.782 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 3.9 mpt_? -76.91 -26.55 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 74.32 110.756 -176.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.66 -43.0 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.581 . . . . 71.21 110.67 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 42.9 pttt -73.57 -30.64 63.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 60.43 110.758 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -69.11 -48.02 63.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 65.01 110.709 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.64 -48.38 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 74.33 110.12 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 p -69.17 -38.41 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.086 -0.506 . . . . 74.14 111.328 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.626 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.9 -52.95 62.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 72.34 110.622 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.04 -32.13 72.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.495 -0.321 . . . . 75.5 111.081 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -71.71 -38.04 70.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 74.11 110.627 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -59.77 -41.99 92.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.108 0.48 . . . . 71.35 110.421 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 5.2 ptm180 -88.33 9.81 21.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 75.35 111.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.7 tp -100.35 -29.83 12.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.741 0.305 . . . . 73.52 111.06 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.615 ' NH2' ' HA ' ' A' ' 113' ' ' CYS . 29.3 ttt180 -113.03 21.97 14.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.143 0.423 . . . . 74.53 112.143 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -12.75 47.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.646 -0.659 . . . . 54.33 111.831 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -85.3 -12.87 51.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.964 0.411 . . . . 55.44 110.48 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.06 9.22 3.0 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.156 0.503 . . . . 73.34 110.571 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 81' ' ' PRO . 34.2 tp -128.75 125.84 23.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 73.02 111.281 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 80' ' ' LEU . 2.7 Cg_exo -76.33 110.37 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.76 2.307 . . . . 74.43 110.667 169.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 108.5 2.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 74.32 111.291 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.7 mtm -125.39 -166.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.916 -0.584 . . . . 72.55 110.585 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 11.6 t70 -93.35 116.42 28.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.575 -0.739 . . . . 64.14 110.092 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -133.24 140.72 47.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 74.22 110.666 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 36' ' ' LEU . 15.5 m -113.99 120.84 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.367 0.604 . . . . 75.02 110.1 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 35' ' ' ILE . 37.2 t -98.01 102.51 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.841 -0.618 . . . . 72.01 110.758 -174.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.17 111.18 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 70.24 110.506 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.475 ' HB3' HG11 ' A' ' 93' ' ' VAL . . . -88.75 135.45 33.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.869 -0.605 . . . . 43.53 110.966 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.27 172.45 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.262 -0.426 . . . . 64.32 110.406 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 44.6 mtpt -65.04 130.89 45.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.032 0.444 . . . . 73.3 110.789 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.92 -6.43 47.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.696 -0.764 . . . . 63.54 112.347 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.475 HG11 ' HB3' ' A' ' 89' ' ' ALA . 11.5 p -60.43 -26.98 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.939 0.4 . . . . 72.04 111.519 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.41 -13.7 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.49 . . . . 75.41 111.136 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.18 56.58 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.872 0.844 . . . . 73.22 109.661 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 pp -96.84 169.48 9.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.074 -0.967 . . . . 72.4 111.211 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.28 149.65 43.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.739 -0.664 . . . . 72.31 109.516 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -60.59 -33.18 72.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.817 0.342 . . . . 74.55 111.6 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 22.6 ttm180 -80.13 -45.9 17.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.625 -0.509 . . . . 74.32 109.625 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.22 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 74.1 112.53 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 102' ' ' SER . 4.6 pp -64.12 -27.22 68.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.689 0.281 . . . . 74.45 111.202 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 101' ' ' LEU . 14.6 t -80.43 -29.91 37.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.104 0.478 . . . . 73.53 109.815 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 35.7 mt-10 -74.07 -36.62 64.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 73.55 110.087 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.657 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -80.19 -20.73 44.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 74.03 111.053 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.71 -43.19 94.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 72.02 110.385 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.455 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -72.12 -18.74 61.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.33 110.94 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.657 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.2 mmmt -68.26 -46.59 70.04 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.383 -0.599 . . . . 74.52 109.383 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.87 -31.28 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.485 -0.779 . . . . 63.32 110.484 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -63.76 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 74.54 109.9 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -67.72 -30.17 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 72.15 111.842 -173.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -59.83 -34.61 73.31 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.103 0.478 . . . . 72.24 110.838 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -105.83 15.36 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 71.12 110.269 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.615 ' HA ' ' NH2' ' A' ' 76' ' ' ARG . 42.0 t -99.02 -63.13 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.757 -0.656 . . . . 72.51 110.232 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.04 -45.24 95.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 74.03 111.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 71.13 111.055 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.2 -26.75 42.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.29 -0.413 . . . . 73.42 111.375 -177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 26.0 mmm180 . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 111.755 0.279 . . . . 74.53 111.755 -174.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.157 -0.682 . . . . 74.04 109.157 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.5 -25.08 65.81 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.302 -0.863 . . . . 74.25 111.128 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.1 m -77.14 -41.66 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 72.14 110.869 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -83.34 -27.14 29.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.417 -0.356 . . . . 72.31 110.911 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.5 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.148 0.499 . . . . 63.24 110.377 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.85 -22.03 40.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 74.13 109.889 176.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.01 -53.43 10.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 72.13 110.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -147.29 94.78 4.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.869 -0.605 . . . . 73.04 109.899 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.489 ' HB2' HD21 ' A' ' 36' ' ' LEU . 89.8 Cg_endo -86.2 159.96 9.91 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.971 2.447 . . . . 53.31 113.419 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 40.7 mt-30 -99.23 140.96 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.919 . . . . 72.34 108.517 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.26 103.41 13.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.871 0.367 . . . . 73.33 110.372 -175.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.96 169.39 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 75.33 110.497 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 -145.13 19.53 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.865 -0.683 . . . . 63.43 112.312 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 55.5 p -123.34 169.59 9.87 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 75.21 110.346 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 17.6 Cg_endo -60.09 -14.44 28.53 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 72.41 112.314 172.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.12 -53.59 4.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.673 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.521 HD13 HD22 ' A' ' 108' ' ' LEU . 8.6 tt -112.57 100.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.522 0.677 . . . . 70.11 110.028 176.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.504 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 20.8 m -94.25 119.07 32.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.598 -0.728 . . . . 70.14 111.187 -176.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -101.97 132.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.715 -0.675 . . . . 44.55 109.736 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' GLN . 75.9 mt -103.37 -96.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 73.04 111.078 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.71 121.91 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.938 -0.649 . . . . 33.01 113.063 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -138.68 98.91 3.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.094 0.473 . . . . 74.43 111.032 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.5 tp -82.77 88.45 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 65.21 110.509 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.37 -49.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 63.5 110.422 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -165.59 92.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.497 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 tp -170.42 -66.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.218 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 82' ' ' ALA . . . 70.32 21.63 77.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.986 -0.626 . . . . 53.11 112.89 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.4 t-80 -132.11 116.51 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.653 -0.499 . . . . 75.53 109.653 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' MET . 47.3 Cg_exo -57.12 143.78 92.1 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 123.384 2.723 . . . . 75.13 113.834 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -141.66 118.95 11.43 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.392 -0.822 . . . . 73.44 109.555 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' HG21 ' A' ' 47' ' ' ILE . 9.3 tt -81.77 86.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 122.045 0.926 . . . . 60.03 109.861 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.46 67.33 3.48 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.481 -0.781 . . . . 53.45 112.208 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 55.4 tp -64.81 99.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.214 0.53 . . . . 62.24 110.13 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -105.54 96.77 6.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.714 -0.675 . . . . 70.3 110.391 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 89' ' ' ALA . 27.2 m -97.33 138.79 21.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.779 -0.646 . . . . 74.42 110.716 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.77 153.91 23.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.15 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -82.25 7.39 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.317 0.58 . . . . 73.21 110.151 -175.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -115.31 -5.57 12.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.431 -0.804 . . . . 71.41 110.631 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.52 -54.19 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 54.14 111.142 -175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -81.8 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 71.42 109.835 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.771 ' HG3' ' HD3' ' A' ' 58' ' ' ARG . 13.2 ptm180 -90.59 -23.72 20.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.045 -0.525 . . . . 75.32 111.699 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.771 ' HD3' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -109.47 137.44 47.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.245 -0.28 . . . . 74.05 110.245 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.94 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 74.14 111.55 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -71.97 -8.79 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.153 0.427 . . . . 72.51 112.153 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 94' ' ' ALA . 0.6 OUTLIER -88.64 -23.39 23.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 73.31 110.468 173.648 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -66.3 -38.13 87.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 63.53 110.296 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -89.17 -0.03 57.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.822 -0.627 . . . . 73.01 110.638 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 23.0 ttt180 -94.23 -43.83 8.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.702 -0.681 . . . . 74.01 110.413 -176.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.17 -36.39 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.931 -0.577 . . . . 73.14 111.473 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 17.1 ptpt -80.98 10.19 5.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.766 0.317 . . . . 72.41 111.847 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -90.03 -47.57 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 74.54 109.608 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.61 -43.72 79.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 73.22 109.982 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 66' ' ' LYS . 9.5 p -71.95 -25.31 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 55.34 111.773 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -60.06 -38.12 81.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 72.45 111.451 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.0 -37.3 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 71.15 111.961 -173.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -69.7 -12.2 61.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.336 0.495 . . . . 71.23 112.336 -172.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.24 10.39 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.973 0.36 . . . . 72.42 111.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -139.18 -36.07 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.404 -0.519 . . . . 60.5 112.327 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.2 19.67 0.16 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.857 0.688 . . . . 74.31 112.857 -173.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -136.61 27.78 3.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.678 -0.489 . . . . 74.52 109.678 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -13.14 55.32 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.754 1.02 . . . . 62.44 113.754 -169.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -77.88 -42.93 31.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.423 -0.511 . . . . 74.23 110.421 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -122.72 84.44 2.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.192 0.52 . . . . 75.0 109.684 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 tp -171.59 135.12 0.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.159 -0.928 . . . . 63.5 109.556 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.32 111.6 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.349 2.032 . . . . 71.54 111.541 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' O ' ' HA2' ' A' ' 43' ' ' GLY . . . -76.55 98.43 4.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 71.33 111.197 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.514 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 26.5 ptt? -145.02 -165.54 2.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.66 -0.7 . . . . 51.41 109.253 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.574 ' OD2' HG23 ' A' ' 86' ' ' VAL . 2.4 p-10 -76.42 157.31 32.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.403 -0.591 . . . . 65.03 109.403 176.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' ' 45' ' ' PRO . 82.2 m-85 -132.71 75.73 1.65 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.965 -0.383 . . . . 74.42 109.965 176.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.574 HG23 ' OD2' ' A' ' 84' ' ' ASP . 58.7 t -67.93 103.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 75.11 109.528 174.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 47.1 t -93.49 99.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.682 -0.69 . . . . 74.14 109.775 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.504 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 21.8 t -85.85 96.54 5.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.617 -0.512 . . . . 72.5 109.617 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 51' ' ' VAL . . . -80.95 109.12 15.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.761 -0.654 . . . . 64.51 110.796 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.12 174.42 8.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.444 -0.798 . . . . 73.31 109.295 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.21 158.07 35.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.54 -0.541 . . . . 72.12 109.54 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.24 -23.1 29.62 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.61 -0.805 . . . . 62.44 111.37 -172.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -74.59 -32.08 28.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.838 0.352 . . . . 71.2 110.306 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . . . -80.61 63.9 5.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.374 0.607 . . . . 74.34 109.746 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -175.18 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.927 -1.033 . . . . 62.43 109.468 -173.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.35 115.09 3.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.483 -0.78 . . . . 71.35 111.877 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.85 163.77 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.166 -0.925 . . . . 70.15 110.518 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -50.97 -39.39 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.74 0.305 . . . . 73.2 111.197 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 13.9 ttm180 -65.65 -48.82 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 72.25 110.505 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.27 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 71.33 111.479 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.29 -45.39 94.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.158 0.504 . . . . 73.41 110.75 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -69.83 -38.22 76.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.908 -0.587 . . . . 74.31 110.993 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 29.4 mt-10 -77.15 -17.17 58.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 74.42 111.237 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.75 25.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.48 -0.327 . . . . 71.25 110.788 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 73.41 110.581 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.72 -31.87 73.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 74.44 111.132 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.61 -33.22 75.43 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.989 0.423 . . . . 72.32 110.218 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.521 HD22 HD13 ' A' ' 33' ' ' ILE . 11.3 mp -72.0 -41.05 68.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 72.24 110.152 175.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -65.59 -42.38 91.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 73.1 111.205 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -59.17 -28.73 66.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.187 -0.46 . . . . 72.04 111.185 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -86.3 -37.34 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.887 0.375 . . . . 64.45 110.411 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -63.82 -45.04 91.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.26 -0.427 . . . . 74.21 111.287 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.67 -42.29 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.469 0.48 . . . . 75.32 111.14 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 114' ' ' ARG . 11.2 mmt180 -71.33 -37.73 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 74.34 111.138 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.53 -30.21 68.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.481 . . . . 71.32 110.689 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -17.4 56.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 75.21 112.262 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.983 -0.287 . . . . 73.42 111.632 -177.161 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 120.626 0.25 . . . . 64.23 111.668 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HA ' HG21 ' A' ' 86' ' ' VAL . 78.0 m-85 -59.49 -40.58 87.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.198 -0.456 . . . . 73.23 111.108 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -88.56 -21.39 24.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 55.13 110.523 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -70.51 -42.08 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 74.24 111.175 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 38' ' ' ARG . 35.0 m -71.06 -24.13 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.495 -0.321 . . . . 71.21 111.421 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.39 -13.48 61.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 73.13 111.456 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.23 -33.3 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 74.12 110.785 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.91 89.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.26 -1.015 . . . . 74.11 108.26 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -97.16 170.35 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.441 2.761 . . . . 65.41 113.897 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -89.58 126.06 35.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.16 -0.927 . . . . 74.4 108.999 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.07 87.09 6.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 74.44 110.528 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.42 156.04 21.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 63.41 110.663 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.39 -145.61 17.7 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.769 -0.729 . . . . 54.11 112.427 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.46 ' HB ' ' CD ' ' A' ' 31' ' ' PRO . 23.7 p -133.92 173.3 6.0 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.334 -0.247 . . . . 72.24 110.334 -177.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.46 ' CD ' ' HB ' ' A' ' 30' ' ' THR . 23.4 Cg_exo -67.02 -11.71 33.31 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 74.54 112.853 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.485 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 21.0 pt20 -95.16 -31.48 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 62.12 110.148 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.8 tt -142.19 105.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.546 0.689 . . . . 70.54 109.728 176.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 m -103.44 125.27 49.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 74.54 111.054 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.521 HG13 HG12 ' A' ' 87' ' ' VAL . 3.6 mp -96.63 110.01 24.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.33 -0.619 . . . . 43.45 109.33 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.98 90.95 7.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.171 0.51 . . . . 75.42 109.969 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.76 162.6 17.48 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.561 -0.745 . . . . 74.13 111.383 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HB3' HG11 ' A' ' 21' ' ' VAL . 20.3 ttt180 -166.72 124.63 1.35 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.281 -0.266 . . . . 65.44 110.281 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.566 HD21 ' H ' ' A' ' 39' ' ' LEU . 1.9 pt? -56.25 126.8 27.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 74.33 109.522 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -153.17 155.68 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 74.0 110.443 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 m -84.89 95.42 9.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.233 0.54 . . . . 63.42 110.758 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -166.59 -47.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.224 -0.898 . . . . 73.12 109.094 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.474 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 68.69 48.05 52.21 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.822 -0.626 . . . . 60.14 111.851 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -109.13 89.65 7.05 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-O 120.995 0.426 . . . . 73.54 109.914 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 72.9 Cg_endo -83.41 84.28 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.346 2.031 . . . . 60.14 112.789 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -136.82 130.78 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 ' HB ' ' A' ' 69' ' ' THR . 10.0 tt -66.95 122.04 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.289 0.566 . . . . 54.23 110.528 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.51 53.06 0.67 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.768 -0.729 . . . . 63.43 112.606 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 65' ' ' ILE . 33.6 tp -73.28 115.63 12.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.223 -0.288 . . . . 73.44 110.223 177.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -120.68 116.69 25.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.23 -0.441 . . . . 72.42 110.662 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -91.6 127.83 43.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.186 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.49 150.68 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 74.34 110.894 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -80.4 72.86 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 73.41 110.532 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -155.33 17.43 0.41 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.285 -0.87 . . . . 73.32 109.483 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.72 -64.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.888 -1.051 . . . . 75.43 109.577 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.2 t -104.74 116.55 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.656 -0.498 . . . . 72.21 109.656 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -106.59 -68.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 64.51 110.184 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HD3' ' HA ' ' A' ' 58' ' ' ARG . 18.0 mmt180 -131.94 98.35 4.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.312 0.577 . . . . 73.04 110.828 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.63 162.31 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.016 -0.993 . . . . 63.3 108.836 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -71.75 -13.32 61.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 74.14 110.201 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.1 mp0 -75.85 -5.13 44.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.259 -0.882 . . . . 53.11 111.033 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -45.15 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 70.43 109.587 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -87.59 -14.64 39.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 62.54 110.327 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 17.6 tpp180 -57.04 -48.61 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 73.42 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.487 HG21 HD23 ' A' ' 49' ' ' LEU . 37.4 mm -62.95 -42.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.557 -0.747 . . . . 64.23 111.153 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 66' ' ' LYS . 19.0 ptmt -82.06 -14.76 55.38 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.575 -0.45 . . . . 71.23 111.515 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -73.36 -54.8 7.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.982 0.42 . . . . 73.24 110.134 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -47.27 81.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.258 -0.883 . . . . 60.32 110.643 -176.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.466 ' HB ' HD11 ' A' ' 47' ' ' ILE . 23.3 p -71.62 -37.24 70.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 71.42 112.121 -176.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -66.0 -47.01 75.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 64.22 110.854 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.25 -32.11 68.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.806 -0.634 . . . . 70.14 111.186 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 p -76.84 -39.4 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.688 0.28 . . . . 75.42 110.768 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.37 -39.09 89.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.121 0.486 . . . . 74.21 110.443 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.66 -13.01 61.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.56 -0.746 . . . . 71.14 111.501 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 tp -109.55 -8.08 15.05 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.695 -0.402 . . . . 75.44 110.991 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -124.29 16.93 9.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.118 0.414 . . . . 74.24 112.118 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -19.26 63.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.039 0.385 . . . . 73.45 112.039 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -93.84 -10.71 33.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 71.32 109.969 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.67 2.46 53.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.536 -0.757 . . . . 53.52 109.704 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.54 156.54 60.05 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.272 -0.876 . . . . 64.34 109.993 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.54 148.27 53.49 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.741 2.294 . . . . 61.22 111.709 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.448 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -62.78 102.38 0.34 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.932 0.396 . . . . 54.42 110.748 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.0 ttm -148.98 152.36 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.624 -175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.68 120.4 21.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 74.23 110.288 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -116.5 105.83 12.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.102 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 18' ' ' PHE . 49.6 t -88.24 105.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 54.25 110.053 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.521 HG12 HG13 ' A' ' 35' ' ' ILE . 14.9 t -95.31 113.94 30.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.236 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.3 t -104.46 115.49 46.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.262 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 93' ' ' VAL . . . -74.44 134.7 42.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 73.44 110.514 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -103.49 170.7 7.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.645 -0.502 . . . . 72.52 109.645 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -74.52 113.83 12.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.268 0.556 . . . . 70.1 111.001 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.08 -8.23 8.05 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.393 -0.821 . . . . 52.23 112.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 32' ' ' GLN . 13.5 p -68.73 -35.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.002 0.371 . . . . 74.01 112.002 -177.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' A' ' 61' ' ' GLU . . . -90.35 9.87 27.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 73.05 111.03 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -122.85 74.76 1.23 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.277 0.56 . . . . 50.41 110.099 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.417 HD21 HE22 ' A' ' 32' ' ' GLN . 1.1 pp -135.97 172.75 12.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.742 -0.663 . . . . 65.32 110.72 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.7 166.46 21.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 74.23 111.156 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.444 ' C ' HD21 ' A' ' 98' ' ' ASN . 0.2 OUTLIER -58.94 -46.05 88.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 72.04 110.149 177.113 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 14.9 ptm180 -63.02 -27.91 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 72.0 111.588 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.63 -20.41 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 73.5 111.455 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.89 -52.27 66.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.99 0.424 . . . . 71.31 110.502 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -70.98 -33.15 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 74.22 110.706 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 44.8 mt-10 -67.9 -50.73 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 72.0 110.823 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.36 -27.04 64.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.484 -0.326 . . . . 74.03 111.403 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.92 -53.4 56.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.53 . . . . 72.04 111.339 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 109' ' ' TRP . 13.3 pt-20 -75.32 -17.99 60.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.657 -0.417 . . . . 61.1 110.988 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 14.4 mmmm -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 72.25 110.359 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.47 -36.87 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.11 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.51 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 25.5 t90 -61.56 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.536 -0.757 . . . . 75.12 111.104 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -57.65 -30.07 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 70.35 111.338 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -62.31 -46.39 88.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 72.54 111.001 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -26.52 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 72.34 110.95 -174.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.54 -42.56 95.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.931 0.396 . . . . 62.32 110.756 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -69.03 -47.15 66.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.939 -0.573 . . . . 72.55 110.379 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.8 tp -67.51 -27.14 66.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.95 -0.568 . . . . 73.4 111.484 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.85 -12.01 61.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 71.55 111.33 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 75.52 109.724 178.156 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' HA ' HD22 ' A' ' 40' ' ' ASN . 3.1 pt20 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 112.403 0.52 . . . . 71.03 112.403 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -67.88 -36.99 81.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 74.52 111.327 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 20.1 m -69.85 -45.5 67.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 54.42 111.579 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.82 -42.15 99.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.34 111.423 -174.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 38' ' ' ARG . 11.7 p -78.39 -20.55 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 62.33 111.232 -176.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.56 -36.48 63.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 74.23 111.503 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.5 mm-40 -61.28 -57.88 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 71.45 111.742 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -133.79 82.8 49.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 61.52 110.613 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.515 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.0 Cg_endo -82.67 144.05 12.3 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.803 2.336 . . . . 75.14 113.015 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -84.58 127.8 34.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.21 -0.663 . . . . 73.42 109.21 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -85.57 94.0 8.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.903 0.382 . . . . 73.34 110.061 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.46 168.72 9.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 64.41 110.792 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.49 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 90.23 -117.2 4.99 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.872 -0.68 . . . . 72.42 112.31 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.45 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.6 m -144.58 151.48 50.51 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.303 -0.629 . . . . 71.13 109.303 -177.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 30' ' ' THR . 73.1 Cg_exo -54.81 -29.11 61.28 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.156 1.904 . . . . 74.41 112.521 172.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -79.05 -39.93 32.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.061 0.458 . . . . 71.33 110.783 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 33' ' ' ILE . 12.2 tt -131.29 97.31 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.912 0.863 . . . . 72.42 109.191 174.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -95.34 122.76 38.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.323 -0.853 . . . . 71.21 112.011 -168.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 108' ' ' LEU . 53.3 mt -97.04 114.45 34.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.675 -0.693 . . . . 61.44 109.816 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 25' ' ' PRO . 84.7 mt -100.32 103.75 15.17 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.41 -0.589 . . . . 74.13 109.41 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.03 148.89 18.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.648 -0.787 . . . . 72.24 112.829 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HB2' HG23 ' A' ' 21' ' ' VAL . 17.5 mmt180 -158.39 146.62 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.167 0.587 . . . . 72.15 109.596 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -67.52 104.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.361 -0.607 . . . . 70.14 109.361 175.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.489 HD22 ' HA ' ' A' ' 17' ' ' GLN . 3.4 t-20 -90.19 159.46 16.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.941 -0.572 . . . . 71.3 111.239 -171.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.81 -19.93 24.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 74.43 110.904 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -64.32 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.838 -0.801 . . . . 75.55 108.838 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.95 46.74 10.2 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.698 -0.763 . . . . 71.12 113.234 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 16.9 t60 -131.67 84.43 54.95 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.594 -0.891 . . . . 73.1 108.594 175.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -31.87 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 124.824 3.683 . . . . 73.43 115.314 -168.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 44' ' ' HIS . 18.3 mmm180 -116.41 111.26 19.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.177 -0.919 . . . . 75.21 108.983 170.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.8 tt -69.7 100.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.535 0.684 . . . . 62.12 110.143 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.578 ' HA3' HG11 ' A' ' 86' ' ' VAL . . . -77.05 63.69 3.19 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.675 -0.693 . . . . 54.24 112.893 -176.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.73 113.06 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.943 0.401 . . . . 74.2 110.29 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -107.43 94.12 4.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.196 0.522 . . . . 72.53 109.975 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.0 91.0 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.661 0.743 . . . . 71.33 110.319 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.31 139.51 58.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.261 -0.881 . . . . 72.53 111.019 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -80.32 -6.52 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.05 -0.523 . . . . 75.43 111.111 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -86.08 -26.01 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.444 -0.576 . . . . 74.44 109.444 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 91' ' ' LYS . 90.9 m-20 -84.66 -32.33 23.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.618 -0.719 . . . . 64.3 109.881 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.5 t -120.19 99.9 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 71.44 109.728 174.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -76.74 -8.3 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 75.41 110.499 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.658 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 16.4 mmm180 -82.23 -177.07 6.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 63.22 111.016 -177.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.11 -76.54 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 75.21 111.186 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -64.36 -24.59 67.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.189 0.519 . . . . 74.5 110.642 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.658 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 11.5 mp0 -66.43 -19.66 65.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 53.15 110.972 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -73.81 -33.18 64.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.15 0.5 . . . . 74.11 109.715 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 13.6 m120 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 71.41 109.916 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -58.11 -45.18 87.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 74.24 110.42 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.39 -39.92 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 61.35 110.322 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 71.32 111.411 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 79.3 mtp180 -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.319 . . . . 75.23 110.846 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.528 HD13 HD23 ' A' ' 105' ' ' LEU . 2.5 tm? -67.7 -48.04 67.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 62.41 110.648 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 p -73.69 -36.47 65.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 71.33 112.329 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.58 -3.45 18.23 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.736 0.303 . . . . 72.41 111.285 -176.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.36 -64.13 1.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.945 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 p -60.58 -40.66 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.812 0.671 . . . . 74.31 112.812 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -72.44 -33.84 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 64.4 111.436 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.802 ' HD3' HD23 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -82.32 -26.62 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.973 -0.558 . . . . 74.41 111.911 -173.545 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.802 HD23 ' HD3' ' A' ' 74' ' ' ARG . 3.2 mm? -79.99 3.75 19.12 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.524 0.564 . . . . 53.22 112.524 -176.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -131.17 24.75 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.138 -0.351 . . . . 73.15 110.682 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -70.96 -2.81 16.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 74.12 111.937 -172.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.02 -28.27 22.72 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.286 -0.259 . . . . 71.13 111.496 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.89 0.376 . . . . 74.1 110.688 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.65 124.82 88.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.664 . . . . 75.33 109.206 174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HD3' ' HB1' ' A' ' 116' ' ' ALA . 51.3 Cg_exo -54.67 147.94 47.14 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.239 2.626 . . . . 72.31 113.131 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.03 72.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 74.32 110.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -134.86 141.22 46.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.485 -0.779 . . . . 62.45 109.541 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.02 129.93 34.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 74.31 110.605 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -139.36 153.81 47.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.651 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.578 HG11 ' HA3' ' A' ' 48' ' ' GLY . 31.4 m -115.58 144.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 72.54 110.894 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.95 110.89 30.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.442 -0.577 . . . . 75.43 109.442 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.07 115.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 75.44 111.086 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.56 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 41.3 110.03 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -92.85 175.99 6.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.502 . . . . 64.04 111.13 -175.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 55' ' ' ASN . 20.4 pttt -73.0 105.38 4.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 65.32 111.124 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.08 -30.39 0.89 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.396 -0.82 . . . . 74.52 111.808 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.45 -25.85 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 111.845 0.313 . . . . 75.24 111.845 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.96 -18.21 59.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.96 0.409 . . . . 64.24 111.77 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -112.93 22.07 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.761 0.791 . . . . 74.24 110.145 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.58 -0.736 . . . . 63.33 110.682 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.491 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 10.1 t70 -93.69 149.55 21.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 61.43 110.684 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -62.85 -37.29 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.141 0.422 . . . . 72.53 112.141 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -78.31 -30.72 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.4 -0.592 . . . . 75.42 109.4 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.23 71.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.632 -0.713 . . . . 52.42 110.461 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 98.5 mt -65.59 -32.57 74.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 55.21 110.279 176.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 t -71.77 -35.92 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 72.23 109.893 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.67 -37.44 79.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.889 -0.596 . . . . 74.13 110.424 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.83 -22.12 37.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 54.22 111.191 -178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 68' ' ' LEU . 3.1 tm? -56.29 -44.76 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 73.35 110.861 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.56 -21.23 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.524 -0.307 . . . . 62.23 111.563 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -72.54 -59.98 2.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.677 0.275 . . . . 74.15 110.84 -173.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 35' ' ' ILE . 2.6 pt? -72.73 -28.41 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 74.04 110.669 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -69.17 -50.06 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.446 -0.343 . . . . 72.14 110.522 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.73 -32.12 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 73.23 110.738 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.49 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 21.8 tpp180 -61.76 -35.44 78.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 71.05 109.854 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -81.96 -17.49 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 75.12 110.625 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.99 -39.61 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.559 -0.534 . . . . 71.24 109.559 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -61.56 -55.71 27.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.538 -0.756 . . . . 72.41 109.888 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.83 63.05 4.26 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.844 0.831 . . . . 73.34 109.773 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HB1' ' HD3' ' A' ' 81' ' ' PRO . . . -165.01 -35.72 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.466 -1.243 . . . . 40.21 109.239 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 117' ' ' ARG . 4.7 mmp_? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.604 -0.726 . . . . 74.53 110.402 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.733 0.302 . . . . 62.23 111.229 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 93.9 t80 -64.4 -42.98 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.687 177.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 p -86.71 -16.81 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.405 -0.362 . . . . 71.54 111.111 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -50.51 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 72.43 110.067 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.42 -9.15 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.876 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.581 ' HA ' ' HG3' ' A' ' 25' ' ' PRO . 17.6 t80 -84.86 -0.7 54.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.521 . . . . 73.0 110.42 -177.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -62.81 -38.88 92.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.223 0.535 . . . . 61.12 109.831 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -155.47 77.44 4.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.643 -0.873 . . . . 64.51 108.643 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.581 ' HG3' ' HA ' ' A' ' 22' ' ' PHE . 11.5 Cg_exo -68.73 118.4 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.833 2.355 . . . . 63.24 113.51 -169.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -85.63 121.71 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 71.43 109.48 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.497 ' HG2' HG21 ' A' ' 34' ' ' THR . 6.0 tmm_? -94.99 100.63 12.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.492 . . . . 73.14 110.428 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.45 99.23 6.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 72.05 109.799 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.7 -146.3 10.75 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.846 -0.692 . . . . 62.42 111.796 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.53 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 48.5 p -127.36 169.32 12.52 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 110.513 -0.18 . . . . 75.13 110.513 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 48.4 Cg_endo -71.44 0.68 6.48 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.095 1.864 . . . . 63.51 111.466 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -97.02 -41.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.552 -0.749 . . . . 74.34 109.558 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -144.22 119.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 74.44 109.645 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.497 HG21 ' HG2' ' A' ' 27' ' ' ARG . 32.7 m -110.66 114.26 27.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.098 -0.501 . . . . 75.23 111.449 -172.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.417 HG13 HG11 ' A' ' 87' ' ' VAL . 4.0 mp -93.91 115.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 53.13 109.814 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB2' HG11 ' A' ' 86' ' ' VAL . 98.0 mt -104.04 112.53 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.283 -0.417 . . . . 72.21 109.971 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.04 116.26 1.36 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.449 -0.882 . . . . 73.45 112.845 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -145.19 82.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.545 -0.539 . . . . 72.22 109.545 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HG ' ' H ' ' A' ' 40' ' ' ASN . 9.5 tp -150.09 -165.54 2.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 74.23 109.272 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.583 ' H ' ' HG ' ' A' ' 39' ' ' LEU . 37.5 t-20 -108.35 136.23 48.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.744 -0.465 . . . . 63.32 109.744 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -76.81 78.98 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.274 0.559 . . . . 73.42 110.494 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.36 -19.13 43.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.696 . . . . 65.44 111.371 -176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 113.34 -5.03 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.647 -0.787 . . . . 65.24 111.181 -175.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -96.4 98.47 4.26 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.405 -0.591 . . . . 73.4 109.405 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 30.5 Cg_endo -93.14 103.26 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.921 2.414 . . . . 65.1 112.529 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -113.67 108.95 17.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.298 -0.41 . . . . 71.4 110.097 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.529 HD11 ' HB ' ' A' ' 69' ' ' THR . 3.4 tt -87.42 99.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.77 0.795 . . . . 73.42 110.473 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 71.56 2.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.774 -0.727 . . . . 42.11 112.616 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 69' ' ' THR . 58.7 tp -67.38 118.39 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.839 0.352 . . . . 63.1 110.661 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -114.43 110.09 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.997 0.427 . . . . 63.11 110.768 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.84 143.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 70.04 109.866 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.42 -178.29 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.745 -0.207 . . . . 74.45 110.69 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HG2' HH21 ' A' ' 62' ' ' ARG . 46.7 mtpt -90.1 -15.47 31.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 74.11 110.576 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -74.42 -23.69 58.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.467 -0.333 . . . . 72.42 111.156 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -105.07 -48.85 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 74.14 110.297 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.91 87.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.279 0.562 . . . . 75.44 109.875 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -93.56 10.76 31.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.509 . . . . 62.04 110.93 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -101.57 104.21 15.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 73.31 109.584 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.59 72.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.947 -0.569 . . . . 71.14 111.657 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -68.2 -25.35 65.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.056 0.455 . . . . 74.55 110.75 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -93.72 9.74 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.223 -0.444 . . . . 61.4 111.172 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.597 HH21 ' HG2' ' A' ' 53' ' ' LYS . 14.7 mmt180 -63.76 -39.58 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.992 0.425 . . . . 71.4 110.656 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.49 -27.08 66.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.545 -0.752 . . . . 71.21 110.336 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -60.64 -52.01 66.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.775 -0.648 . . . . 73.54 110.988 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.3 mm -62.38 -39.62 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.516 -0.765 . . . . 71.02 110.865 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -57.52 -57.08 14.26 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.102 -0.239 . . . . 72.23 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -67.69 -29.55 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 70.31 111.589 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -41.51 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.094 -0.706 . . . . 74.42 109.094 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.529 ' HB ' HD11 ' A' ' 47' ' ' ILE . 31.6 p -91.12 0.19 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 71.43 111.638 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.612 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.3 tpp180 -90.74 -67.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 72.2 110.203 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -15.66 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.77 -0.65 . . . . 72.23 112.154 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 p -84.59 -63.71 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.855 0.36 . . . . 71.04 110.949 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.661 ' HD2' HD21 ' A' ' 80' ' ' LEU . 77.5 m-85 -65.74 -34.01 77.21 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.301 0.852 . . . . 53.23 113.301 -172.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 4.7 ppt_? -92.44 -5.42 51.98 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.333 -0.547 . . . . 72.31 112.172 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.0 mt -107.42 -45.49 4.07 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.844 -0.343 . . . . 73.43 110.77 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.682 ' HG3' ' HB2' ' A' ' 79' ' ' GLU . 3.3 tpm_? -95.32 54.22 1.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.666 0.745 . . . . 75.21 109.26 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -19.46 65.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.315 -0.857 . . . . 64.41 111.944 -174.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -81.77 3.34 26.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.664 0.269 . . . . 65.41 111.156 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.682 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -108.84 3.34 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.246 0.546 . . . . 63.32 109.57 174.067 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.661 HD21 ' HD2' ' A' ' 73' ' ' PHE . 54.9 tp -127.51 118.36 21.46 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.617 -0.72 . . . . 74.34 111.45 -174.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.484 ' HD2' ' HE1' ' A' ' 112' ' ' HIS . 19.1 Cg_endo -62.68 110.57 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.249 1.966 . . . . 61.14 110.297 170.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 95.14 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.11 0.481 . . . . 64.24 111.765 -176.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.411 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 25.3 ptt? -150.84 176.69 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.218 -0.901 . . . . 75.41 109.486 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.14 117.46 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 71.43 109.004 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.5 160.99 38.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.666 0.269 . . . . 72.21 110.662 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.429 HG11 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -111.97 134.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.236 0.541 . . . . 75.43 111.122 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.417 HG11 HG13 ' A' ' 35' ' ' ILE . 46.8 t -109.59 107.33 22.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 73.01 109.624 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.8 110.63 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.918 0.39 . . . . 70.42 110.509 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 126.88 33.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.143 -0.481 . . . . 75.22 109.951 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.91 -170.48 2.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.208 -0.664 . . . . 74.24 109.208 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -92.9 104.36 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.426 -0.583 . . . . 74.42 109.426 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.65 -37.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.46 -0.656 . . . . 73.52 111.46 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.8 8.11 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.628 0.728 . . . . 74.12 110.164 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.34 24.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 65.41 110.969 -177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.92 101.96 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.49 . . . . 65.12 110.543 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.4 mt -144.91 169.68 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.872 -0.603 . . . . 73.31 109.849 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.82 161.63 28.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.376 -0.375 . . . . 73.44 110.144 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -60.68 -41.78 95.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 71.5 111.124 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 13.0 ttm180 -79.18 -32.19 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.912 -0.315 . . . . 53.34 110.685 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.0 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.4 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.57 -17.15 61.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.389 . . . . 71.12 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 t -78.95 -45.05 21.22 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.209 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 10.8 pt-20 -73.68 -26.51 60.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.596 0.236 . . . . 73.23 110.702 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.415 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -57.56 -31.84 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 64.11 110.654 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.47 -37.79 77.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 72.53 111.09 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -73.08 -23.47 60.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.621 -0.432 . . . . 74.42 110.073 -178.541 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 22.4 mmmt -64.82 -44.41 89.94 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.215 -0.661 . . . . 64.4 109.215 175.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.56 -49.33 63.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.327 -0.851 . . . . 65.3 110.36 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.446 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 32.6 t90 -59.25 -56.16 25.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 73.31 111.96 -176.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -61.29 -32.58 72.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.641 -0.254 . . . . 72.01 111.555 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 25.4 tpt180 -83.03 -39.97 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.801 -0.36 . . . . 71.43 110.548 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.484 ' HE1' ' HD2' ' A' ' 81' ' ' PRO . 21.2 t-80 -66.64 -35.93 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 72.45 110.184 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.18 -51.7 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 72.43 110.741 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -60.76 -52.27 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.566 . . . . 60.34 111.131 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.06 -33.63 74.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 74.22 111.969 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.8 64.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 72.33 111.475 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.517 -0.31 . . . . 75.21 110.659 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 111.958 0.355 . . . . 75.32 111.958 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -79.65 3.93 17.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.354 0.501 . . . . 74.34 112.354 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.4 m -143.57 -30.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.372 -0.531 . . . . 62.04 112.378 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.12 -46.66 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 75.14 111.049 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' VAL . 10.3 p -96.49 7.06 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.481 0.657 . . . . 72.34 110.602 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -85.5 16.11 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.094 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -70.32 -71.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.178 -0.675 . . . . 74.55 109.178 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -146.28 74.78 12.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.073 -0.967 . . . . 75.12 108.794 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.446 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 58.0 Cg_endo -70.83 139.61 36.88 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.36 2.04 . . . . 64.3 112.042 -175.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.43 107.27 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.825 -0.435 . . . . 72.25 109.825 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -71.13 99.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.192 -0.67 . . . . 75.4 109.192 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.06 -176.24 2.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.276 -0.42 . . . . 43.13 110.529 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.688 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 89.64 -130.36 10.17 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.848 -0.691 . . . . 63.45 112.044 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 40.3 p -133.42 170.49 11.22 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 110.303 -0.258 . . . . 64.44 110.303 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 30.5 Cg_exo -62.86 -26.51 74.62 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.476 2.117 . . . . 73.41 112.395 174.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.0 -55.56 4.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.447 . . . . 74.04 110.616 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.0 tt -121.15 115.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.558 0.694 . . . . 73.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -105.32 128.53 53.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.599 -0.728 . . . . 75.31 111.872 -172.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.3 mp -103.83 126.95 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.356 -0.609 . . . . 75.55 109.356 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.669 ' HB2' HG11 ' A' ' 86' ' ' VAL . 91.2 mt -107.47 124.05 49.31 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.919 -0.4 . . . . 75.11 109.919 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.5 6.45 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.989 -1.1 . . . . 71.34 113.773 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.463 ' H ' HD11 ' A' ' 39' ' ' LEU . 21.1 ttm-85 -179.64 73.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.719 0.807 . . . . 73.52 109.323 170.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 5.5 mp -138.45 159.74 41.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.117 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -160.43 165.54 30.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.514 -0.55 . . . . 74.3 109.514 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 65.41 15.75 10.18 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.607 0.567 . . . . 74.25 111.399 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.54 -66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.009 -0.367 . . . . 74.04 110.009 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.514 ' HA2' ' HB2' ' A' ' 82' ' ' ALA . . . 91.86 -12.82 68.46 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.703 -0.76 . . . . 74.41 113.266 177.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -127.93 98.36 27.64 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.962 0.381 . . . . 64.14 110.932 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HA ' ' HA ' ' A' ' 84' ' ' ASP . 5.9 Cg_exo -79.18 137.99 13.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.109 2.54 . . . . 73.12 112.158 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -118.55 -171.97 2.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.715 -0.476 . . . . 74.34 109.715 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 70' ' ' ARG . 5.5 tt -124.58 86.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.927 0.87 . . . . 75.44 110.039 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 62.62 4.3 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.659 -0.781 . . . . 74.35 112.565 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.763 HD21 ' HD2' ' A' ' 66' ' ' LYS . 49.8 tp -71.76 109.79 5.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.236 0.541 . . . . 73.32 110.395 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -100.21 103.32 14.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.556 -0.747 . . . . 74.02 110.385 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.89 115.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.841 -0.618 . . . . 74.32 110.28 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.4 178.24 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 71.21 111.278 -176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.53 1.7 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.838 -0.619 . . . . 64.5 111.425 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.92 1.96 15.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.286 0.565 . . . . 73.3 110.174 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -109.93 -28.05 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.768 -0.827 . . . . 74.41 108.768 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 62' ' ' ARG . 8.0 p -128.38 153.48 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.507 -1.224 . . . . 71.45 108.78 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -99.17 -49.12 4.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.666 -0.414 . . . . 73.02 111.437 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.682 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 76.4 mtt180 -99.48 148.54 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.879 0.371 . . . . 74.31 111.031 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.83 85.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 72.03 110.398 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -61.11 -41.17 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 73.32 111.226 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.682 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 61.7 mt-10 -65.72 -36.82 84.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 75.25 110.209 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HB2' HG13 ' A' ' 56' ' ' VAL . 35.6 ttt180 -64.34 -50.27 68.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 72.03 110.592 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.6 -28.32 68.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.934 -0.576 . . . . 74.45 110.556 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 26.8 tpt180 -58.07 -46.69 85.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.621 -0.718 . . . . 65.53 110.268 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.0 mm -73.56 -34.16 41.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.978 -0.555 . . . . 73.44 110.553 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.763 ' HD2' HD21 ' A' ' 49' ' ' LEU . 23.5 mmmt -56.23 -51.58 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.662 -0.699 . . . . 75.13 112.076 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -80.33 -27.75 38.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.008 -0.277 . . . . 75.54 111.326 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.78 -52.38 64.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 65.13 110.005 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -67.28 -44.45 79.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 74.2 111.438 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HA ' HD12 ' A' ' 47' ' ' ILE . 21.9 ttt180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.6 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.3 -45.06 81.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 72.14 111.182 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.2 p -63.71 -33.24 75.2 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.313 -0.403 . . . . 71.03 111.836 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.9 -26.62 68.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 73.44 111.59 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -87.5 -9.43 54.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 74.43 111.088 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -107.99 -47.86 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 70.45 111.476 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 56.0 mtt85 -105.94 50.37 0.78 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.231 0.539 . . . . 75.0 110.813 -172.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -14.49 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.824 . . . . 75.32 111.945 -175.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -79.03 -18.67 53.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.96 -0.296 . . . . 73.21 111.324 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' HG3' ' CH2' ' A' ' 109' ' ' TRP . 19.5 mm-40 -97.0 24.4 6.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.404 . . . . 74.31 111.434 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HB3' ' NE2' ' A' ' 112' ' ' HIS . 4.1 pp -137.97 149.92 65.69 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.466 -0.334 . . . . 71.25 110.851 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.548 ' HG2' ' HG2' ' A' ' 83' ' ' MET . 74.4 Cg_endo -76.97 164.94 29.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.655 2.237 . . . . 74.21 111.567 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB2' ' HA2' ' A' ' 43' ' ' GLY . . . -77.51 61.78 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.373 0.606 . . . . 75.24 111.514 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.556 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 24.6 ptt? -132.72 167.33 20.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.744 -0.662 . . . . 72.31 109.369 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 45.5 t0 -85.83 157.72 20.14 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 123.144 0.278 . . . . 73.54 110.394 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -132.75 118.93 19.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.076 0.465 . . . . 74.42 111.614 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.669 HG11 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -103.25 124.43 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 74.21 109.581 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -117.73 113.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.124 -0.489 . . . . 71.45 110.32 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 123.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.857 0.361 . . . . 72.3 110.643 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.13 137.56 32.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.102 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.595 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.0 mmpt? -91.68 171.38 9.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.779 0.323 . . . . 65.01 110.797 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -67.4 118.77 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.99 -0.55 . . . . 75.54 110.15 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.82 -0.36 21.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.434 -0.889 . . . . 51.33 112.474 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.11 -18.88 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.303 0.573 . . . . 64.14 110.921 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 56' ' ' VAL . . . -72.64 -22.56 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 72.23 111.574 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.74 72.97 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.196 0.522 . . . . 55.24 110.617 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -139.99 122.27 15.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 74.53 110.566 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 28.5 t70 -74.32 152.19 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.901 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -54.12 -36.46 63.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.092 -0.504 . . . . 73.31 111.811 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.3 -44.31 53.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 73.12 110.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.7 -16.45 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 74.4 111.778 -176.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 70.6 mt -55.97 -47.95 76.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.669 0.271 . . . . 75.34 111.026 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.9 t -72.36 -27.28 62.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.409 . . . . 63.13 110.567 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -70.82 -46.3 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 75.12 110.012 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.31 62.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 61.43 111.155 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.417 ' O ' HD11 ' A' ' 105' ' ' LEU . 2.5 tm? -63.19 -37.35 86.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 73.52 110.898 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -67.75 -20.37 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.876 -0.329 . . . . 71.24 110.684 -176.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.492 ' HD2' ' OE2' ' A' ' 106' ' ' GLU . 22.5 mmmt -65.96 -39.66 90.6 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.231 -0.655 . . . . 72.43 109.231 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.57 -40.6 80.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.444 -0.798 . . . . 74.34 110.126 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.485 ' CH2' ' HG3' ' A' ' 79' ' ' GLU . 47.2 t-105 -57.41 -52.1 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 74.45 111.11 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -62.74 -39.64 94.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 73.34 111.38 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.688 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 24.7 tpp180 -66.55 -46.08 77.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.094 0.473 . . . . 73.52 110.184 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . 0.531 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t-80 -63.84 -42.13 97.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.21 -0.904 . . . . 71.13 111.524 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.13 -33.9 77.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 64.35 111.436 -175.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -92.92 -14.35 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.783 0.29 . . . . 54.11 111.783 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.8 -42.9 97.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.982 0.42 . . . . 75.11 110.943 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.42 7.66 9.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 51.34 111.388 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.775 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.507 -0.553 . . . . 75.1 109.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' HD1' HG23 ' A' ' 86' ' ' VAL . 85.5 t80 -60.14 -52.68 64.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 75.02 110.891 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -74.3 -16.48 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.197 0.522 . . . . 63.25 110.844 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -82.72 -42.31 18.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.275 -0.421 . . . . 73.51 110.432 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.37 -18.85 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.987 0.422 . . . . 72.12 110.34 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.28 -12.99 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.607 . . . . 73.43 111.127 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.74 -36.04 82.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.184 0.516 . . . . 75.33 110.109 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -153.88 81.47 4.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.063 -0.717 . . . . 73.12 109.063 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -85.94 122.54 2.25 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.652 2.235 . . . . 73.14 112.581 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -99.44 114.28 27.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.534 -0.543 . . . . 71.23 109.534 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -88.07 109.6 19.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.639 . . . . 74.02 109.865 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.96 13.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 61.43 110.335 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.18 -159.9 27.96 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.681 -0.771 . . . . 63.45 112.275 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.454 HG21 ' HD2' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -74.25 145.32 82.83 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.451 0.3 . . . . 65.31 110.357 -179.143 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HD2' HG21 ' A' ' 30' ' ' THR . 28.4 Cg_exo -62.89 -45.44 13.16 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.62 2.213 . . . . 74.35 112.692 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.591 HE21 HD12 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -59.46 -47.01 87.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.979 0.419 . . . . 75.2 111.154 -178.378 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 tt -108.73 94.83 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 63.45 109.287 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -85.79 109.49 18.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.717 -0.674 . . . . 74.51 111.825 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.77 106.14 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 74.14 109.827 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.96 111.78 23.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 74.14 109.525 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.66 164.79 20.96 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.274 -0.965 . . . . 62.14 112.553 -177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -151.67 139.6 20.0 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.712 -0.477 . . . . 73.34 109.712 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.3 tp -83.48 88.24 7.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.289 -0.634 . . . . 70.03 109.289 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -102.72 170.12 8.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 64.04 110.237 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -74.37 -13.27 60.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 74.32 110.315 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.79 -59.83 2.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 75.03 110.044 173.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.528 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 58.17 54.1 40.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.133 -0.555 . . . . 64.11 112.059 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -95.33 101.97 8.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.239 . . . . 75.0 110.382 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.6 Cg_exo -72.67 89.54 0.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.847 2.365 . . . . 74.44 112.032 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -153.48 142.45 21.23 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.103 -0.703 . . . . 72.23 109.103 177.326 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.461 HD11 ' HB ' ' A' ' 69' ' ' THR . 13.7 tt -87.25 136.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.067 0.46 . . . . 54.34 110.863 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.84 99.39 0.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.941 -0.647 . . . . 64.32 111.504 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD13 HG21 ' A' ' 69' ' ' THR . 59.9 tp -87.53 109.51 19.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.181 0.515 . . . . 73.31 111.245 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -103.24 87.17 2.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.11 -0.7 . . . . 75.33 109.11 174.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 p -94.62 120.17 43.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.591 -0.731 . . . . 54.32 110.924 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.74 116.84 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.943 -0.571 . . . . 62.51 109.701 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -65.66 -12.75 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 63.21 111.829 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HB2' ' HZ2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -87.37 -11.38 49.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.771 0.319 . . . . 75.35 110.757 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -93.72 -9.88 36.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 62.32 110.981 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HB2' ' A' ' 62' ' ' ARG . 44.2 t -100.69 151.69 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.943 -0.571 . . . . 70.53 110.012 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -56.83 -64.57 0.83 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.484 0.49 . . . . 63.21 111.94 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 58' ' ' ARG . 28.0 mmt180 -137.88 -69.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.076 0.398 . . . . 72.43 112.076 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.01 -50.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.505 -0.316 . . . . 71.13 111.332 -171.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.26 -30.98 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.449 0.642 . . . . 74.03 109.951 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 20.4 mp0 -76.64 -24.97 53.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.009 -0.996 . . . . 73.31 110.38 -176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.564 ' HB2' HG13 ' A' ' 56' ' ' VAL . 38.3 ttp180 -76.07 -35.82 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.556 . . . . 72.01 110.501 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.35 -30.9 69.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 72.34 110.085 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.8 -37.11 80.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 72.0 110.111 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.36 -40.44 82.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.928 -0.578 . . . . 74.01 110.462 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.42 -27.41 68.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 74.41 110.71 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -74.3 -52.95 10.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 72.21 110.612 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.99 -50.77 65.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.002 -0.544 . . . . 73.05 110.731 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 49' ' ' LEU . 13.6 p -62.67 -54.87 32.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 71.22 112.035 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -78.61 9.97 3.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.747 0.647 . . . . 74.23 112.747 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -111.25 -45.53 3.41 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.872 -0.418 . . . . 62.54 109.872 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 p -68.91 -48.25 63.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 74.54 110.9 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.35 15.78 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 73.22 111.129 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -111.25 -32.04 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.085 0.469 . . . . 65.02 109.882 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.06 -30.15 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 65.21 109.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 4.4 mmp_? -110.31 142.46 41.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.875 -0.787 . . . . 64.23 108.875 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 177.98 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 72.42 111.191 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.3 -36.75 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.696 . . . . 72.43 110.642 -173.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -72.07 -23.96 61.43 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.512 -177.451 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.8 pp -91.27 146.98 34.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.739 0.304 . . . . 75.55 110.535 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 3.3 Cg_exo -81.76 -164.63 0.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.088 2.525 . . . . 73.0 111.782 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . . . -63.92 111.12 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.834 0.349 . . . . 75.53 110.93 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.9 ttm -148.79 111.81 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.269 -0.423 . . . . 64.33 110.502 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -95.56 138.2 33.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.623 -0.51 . . . . 72.21 109.623 173.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.8 169.12 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.3 111.064 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' HD1' ' A' ' 18' ' ' PHE . 9.1 p -132.26 141.23 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.688 -0.687 . . . . 74.33 109.758 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.59 121.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.274 -0.269 . . . . 72.13 110.274 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.88 131.73 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 71.44 110.412 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.4 125.31 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 71.51 111.213 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.07 179.58 6.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.901 -0.591 . . . . 64.31 110.216 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -84.16 128.33 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.89 0.376 . . . . 71.34 110.659 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.88 -11.72 24.97 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.912 -0.661 . . . . 42.51 112.029 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -22.7 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 61.14 110.84 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 61' ' ' GLU . . . -87.95 15.06 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.883 -0.599 . . . . 60.25 111.734 -176.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.35 -8.89 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.459 . . . . 73.14 110.821 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.591 HD12 HE21 ' A' ' 32' ' ' GLN . 90.9 mt -77.42 133.34 38.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.16 -0.473 . . . . 75.0 110.621 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.45 -179.66 6.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.167 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HA ' ' HG ' ' A' ' 101' ' ' LEU . 3.8 m-20 -61.57 -36.31 80.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.585 -0.279 . . . . 74.3 111.471 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 4.4 tpm_? -62.44 -50.81 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.699 -0.482 . . . . 75.42 109.699 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.53 -49.65 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 72.43 111.653 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.414 ' HG ' ' HA ' ' A' ' 98' ' ' ASN . 4.6 pp -70.04 -25.17 63.44 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.822 -0.351 . . . . 73.42 111.228 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t -72.71 -36.29 67.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.046 0.451 . . . . 74.23 109.948 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 13.7 mm-40 -74.02 -41.0 62.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 176.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.727 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -63.25 -23.99 67.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.712 -0.676 . . . . 63.42 111.199 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.18 -45.18 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 63.22 110.524 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -20.84 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 75.01 110.349 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.727 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.7 mmmt -66.58 -54.28 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.697 -0.483 . . . . 74.01 109.697 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 109' ' ' TRP . 4.0 pp -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 62.53 111.349 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TRP . . . . . 0.405 ' N ' HD11 ' A' ' 108' ' ' LEU . 37.0 t-105 -65.78 -58.68 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 73.42 110.886 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.13 -23.59 65.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 73.32 110.657 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 4.7 tpp180 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.345 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.76 -21.43 28.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.2 t -58.13 -46.79 85.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 75.04 110.414 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -87.68 5.55 39.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.074 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.21 -45.49 4.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.949 0.404 . . . . 72.34 110.158 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.55 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 74.25 110.794 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.177 0.513 . . . . 70.24 109.825 177.299 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.039 -0.356 . . . . 63.32 110.039 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.07 -52.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.125 0.488 . . . . 74.45 110.22 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -84.86 124.2 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.781 -0.645 . . . . 75.31 109.934 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' HG ' ' HG ' ' A' ' 39' ' ' LEU . 4.3 mm? -73.5 -18.86 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.314 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 95.67 7.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.424 -0.353 . . . . 71.44 110.202 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.44 150.81 45.28 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.876 -0.602 . . . . 73.24 110.519 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 8.26 1.03 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.105 2.536 . . . . 71.3 112.938 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -78.0 2.97 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.448 -0.342 . . . . 71.3 111.316 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.701 ' HG3' HD12 ' A' ' 10' ' ' LEU . 8.5 pt-20 -70.79 -16.28 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 71.23 109.943 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 9' ' ' GLU . 7.6 mp -86.33 2.22 48.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 74.03 110.132 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.59 147.32 38.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 71.25 109.729 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.23 103.06 0.92 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 64.34 110.884 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.673 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 pt? -87.9 157.73 18.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 74.42 110.071 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.458 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 5.9 p -90.54 144.26 30.4 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.561 -0.29 . . . . 73.44 111.065 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 4.1 Cg_exo -78.12 6.75 4.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.175 2.583 . . . . 61.2 112.319 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -78.99 96.21 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.177 -0.465 . . . . 71.24 109.89 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' HG11 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -62.59 -35.12 78.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 74.31 111.104 -177.189 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.26 -40.33 97.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.162 0.506 . . . . 73.41 110.278 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.614 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 23.9 m -72.55 -44.68 61.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.942 -0.572 . . . . 62.42 110.06 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -58.58 -44.28 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.407 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.875 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 9.4 p -69.73 -37.75 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.573 0.225 . . . . 72.13 110.917 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -72.92 -21.19 60.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.551 -0.295 . . . . 73.2 111.351 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.6 mm100 -70.32 -48.36 56.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.603 0.24 . . . . 73.23 110.74 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.54 79.66 24.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-O 121.191 0.519 . . . . 63.1 110.977 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.522 ' HB2' HD13 ' A' ' 36' ' ' LEU . 95.6 Cg_endo -98.84 128.2 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 123.141 2.561 . . . . 75.13 112.61 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.32 106.86 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.497 -0.557 . . . . 73.33 109.497 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -77.51 115.15 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 75.1 110.674 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HB2' ' ND1' ' A' ' 112' ' ' HIS . . . -148.04 101.11 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.776 -0.647 . . . . 65.35 110.147 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.62 177.79 40.9 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.894 -0.594 . . . . 65.22 111.824 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -65.63 140.58 97.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 122.334 0.254 . . . . 74.42 110.342 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.439 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 10.7 Cg_endo -53.87 -22.99 25.69 Favored 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 123.343 2.695 . . . . 65.42 113.799 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -97.19 -4.27 39.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 73.33 111.649 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 tt -152.39 100.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.601 0.715 . . . . 74.42 109.425 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.5 m -90.66 107.05 18.92 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.748 -0.66 . . . . 74.33 111.943 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 HD11 ' N ' ' A' ' 35' ' ' ILE . 4.2 mp -87.38 105.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.346 -0.612 . . . . 75.32 109.346 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -85.32 158.65 20.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 63.23 110.414 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.5 117.01 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.727 -0.749 . . . . 44.34 111.979 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.875 ' HD2' ' HA ' ' A' ' 21' ' ' VAL . 3.8 tpm_? -100.15 112.63 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.229 -0.285 . . . . 74.55 110.229 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HG ' ' HG ' ' A' ' 4' ' ' LEU . 3.2 mm? -69.37 94.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 74.04 109.833 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -152.14 104.38 2.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.559 -0.746 . . . . 73.11 110.121 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 t -82.12 83.81 7.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.493 0.663 . . . . 63.13 109.608 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.13 -36.27 12.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.443 -0.798 . . . . 74.13 109.343 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.18 54.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.832 -0.699 . . . . 75.21 111.441 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -119.35 95.55 49.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.66 -0.496 . . . . 74.2 109.66 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.519 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 1.1 Cg_endo -82.17 117.44 2.84 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.984 2.456 . . . . 52.11 111.563 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HE ' ' HB2' ' A' ' 46' ' ' ARG . 4.6 ptm180 -127.32 152.25 47.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.451 -0.34 . . . . 74.12 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -110.04 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.631 . . . . 74.11 109.688 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.08 70.46 0.21 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.399 -0.905 . . . . 61.52 112.414 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 66' ' ' LYS . 60.6 tp -69.53 114.17 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.492 . . . . 73.02 110.759 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 m -108.78 129.87 55.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.508 -0.769 . . . . 73.34 109.774 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.4 138.9 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 50.54 110.57 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.89 157.77 15.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.53 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.51 -16.26 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.294 0.569 . . . . 74.14 110.742 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 19.7 ptmt -83.89 -21.76 31.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 74.04 110.469 176.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.497 ' OD1' ' HG3' ' A' ' 54' ' ' LYS . 4.1 m-20 -84.11 -51.33 7.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.542 . . . . 72.35 110.039 -177.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -111.97 99.53 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.858 -0.794 . . . . 72.32 108.858 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -82.36 -20.63 36.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.94 -0.573 . . . . 71.32 111.583 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.455 ' HD2' ' HA ' ' A' ' 58' ' ' ARG . 13.8 tpt180 -86.99 112.25 21.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.743 -0.466 . . . . 73.31 109.743 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.59 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.691 -0.686 . . . . 74.23 112.792 -173.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.22 -33.47 73.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.852 0.358 . . . . 75.2 111.27 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.52 ' O ' HG12 ' A' ' 65' ' ' ILE . 24.4 mm-40 -76.91 -11.82 59.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.499 -0.318 . . . . 71.44 110.858 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -61.73 -43.8 98.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.067 -0.716 . . . . 71.25 109.067 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.56 -31.88 71.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.119 -0.946 . . . . 65.12 109.634 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 -62.12 -44.55 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.472 -0.785 . . . . 73.14 110.373 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 61' ' ' GLU . 50.1 mm -65.05 -45.33 94.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.809 -0.632 . . . . 73.22 111.081 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.535 ' HG2' HD23 ' A' ' 49' ' ' LEU . 36.8 mtmt -69.2 -29.96 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.714 0.292 . . . . 74.43 110.756 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -60.25 -59.53 5.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.02 0.438 . . . . 65.34 110.17 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -49.72 67.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.084 -0.962 . . . . 72.25 110.92 -174.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.0 p -68.14 -57.68 5.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.472 . . . . 74.04 111.96 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.94 -37.7 88.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.555 -0.293 . . . . 64.35 111.689 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 1.2 tt0 -70.61 -26.13 63.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 73.03 110.66 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.1 m -75.57 -42.69 51.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.817 0.341 . . . . 62.23 110.372 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.75 -17.63 64.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 73.3 111.77 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 7.2 ptm180 -89.76 -13.48 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 62.14 110.828 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -110.17 -23.12 11.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.94 0.4 . . . . 72.13 111.189 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.03 40.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.272 0.558 . . . . 73.14 109.978 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.19 -17.04 63.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.278 -0.874 . . . . 72.2 111.462 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -77.19 -38.45 51.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.285 0.564 . . . . 75.22 110.584 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -82.28 -36.8 26.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 72.12 111.704 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.487 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.0 pp -84.27 140.66 39.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.372 . . . . 60.43 111.559 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 1.7 Cg_endo -85.76 174.51 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.5 2.8 . . . . 74.23 112.02 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.519 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . . . -86.69 71.25 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.229 0.538 . . . . 74.04 111.05 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.459 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 66.5 mtt -127.89 -176.27 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.666 -0.697 . . . . 72.42 110.513 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -96.14 120.92 37.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.964 -0.562 . . . . 75.14 109.737 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -122.94 88.94 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.357 0.599 . . . . 73.21 111.233 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.425 ' CG2' HG12 ' A' ' 21' ' ' VAL . 78.2 t -86.71 104.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.759 -0.655 . . . . 74.42 109.555 172.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 61.7 t -91.99 130.81 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.799 -0.637 . . . . 74.54 109.984 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.57 107.15 22.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.054 0.454 . . . . 55.55 110.49 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB2' HG13 ' A' ' 93' ' ' VAL . . . -72.43 123.86 23.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.605 . . . . 74.3 109.769 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 10.8 mmpt? -85.64 172.51 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.978 0.418 . . . . 74.32 110.421 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.72 105.89 6.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.829 -0.804 . . . . 75.3 108.829 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.18 -20.61 2.1 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.587 -0.816 . . . . 72.05 112.556 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG13 ' HB2' ' A' ' 89' ' ' ALA . 13.5 p -65.05 -27.63 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.27 0.557 . . . . 74.24 110.915 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.46 14.35 13.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 54.41 111.054 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.09 -9.21 31.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.526 0.679 . . . . 74.55 109.617 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.12 171.95 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.327 -0.851 . . . . 63.22 111.686 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.441 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 15.9 t70 -89.71 158.61 17.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 74.33 109.293 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -56.54 -34.65 67.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.249 0.547 . . . . 74.03 110.477 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 18.4 ttp180 -68.43 -45.0 73.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.665 . . . . 71.12 110.154 175.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.1 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.589 -0.732 . . . . 54.31 111.832 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.2 mt -61.41 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.03 0.443 . . . . 73.31 110.145 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.6 m -72.84 -31.06 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 75.44 110.324 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 11.3 mm-40 -66.54 -29.83 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 73.11 111.16 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.4 -13.27 38.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 73.33 111.071 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.13 -51.76 65.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.537 . . . . 75.11 110.932 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.518 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -65.29 -25.29 67.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.497 -0.32 . . . . 73.53 110.706 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.518 ' HD2' ' OE1' ' A' ' 106' ' ' GLU . 28.6 mmmt -66.17 -52.54 47.27 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.319 -0.4 . . . . 74.43 110.189 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.403 ' HB2' HD13 ' A' ' 35' ' ' ILE . 4.3 pp -73.76 -31.61 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 64.32 110.898 -178.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -60.82 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 75.01 110.474 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.38 -37.39 85.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 55.32 110.815 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -55.1 -53.67 52.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 74.54 111.202 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.446 ' ND1' ' HB2' ' A' ' 28' ' ' ALA . 2.2 t60 -80.45 -27.25 37.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.629 -0.428 . . . . 72.33 110.668 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 49.6 t -63.27 -42.34 99.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 64.32 110.349 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.04 -34.74 75.34 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.413 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.8 tp -81.27 -31.37 33.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.887 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.42 -23.98 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.994 0.426 . . . . 73.45 111.034 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 25.4 mmm180 -82.64 -23.35 34.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 44.3 110.134 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -92.82 -121.76 3.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.772 -0.649 . . . . 71.25 111.505 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.632 -0.699 . . . . 74.25 109.818 178.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.92 0.39 . . . . 53.44 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.646 HG13 HD22 ' A' ' 10' ' ' LEU . 24.9 t -81.19 86.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 74.31 109.806 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 -4.28 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.8 -0.636 . . . . 73.52 111.478 -177.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -60.75 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.661 -1.237 . . . . 73.34 107.661 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.37 146.63 25.81 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.107 -1.071 . . . . 75.42 108.107 169.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.577 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 82.5 m-85 -93.14 158.97 36.42 Favored Pre-proline 0 C--N 1.318 -0.799 0 C-N-CA 120.827 -0.349 . . . . 74.53 110.685 -174.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.29 -32.15 32.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.475 2.784 . . . . 74.3 113.951 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -74.52 -35.47 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 74.52 111.374 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.577 ' OE1' ' HB2' ' A' ' 6' ' ' PHE . 24.1 mp0 -74.14 -35.46 64.09 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.118 0.485 . . . . 63.22 110.157 175.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.646 HD22 HG13 ' A' ' 2' ' ' VAL . 42.8 tp -70.58 -17.97 62.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.633 . . . . 74.05 111.071 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -102.0 8.19 41.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 74.41 110.831 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.0 174.62 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 63.04 111.107 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.718 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 pt? -77.83 148.84 34.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 72.24 110.465 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 p 48.2 72.07 1.39 Allowed Pre-proline 0 C--N 1.33 -0.266 0 C-N-CA 123.53 0.732 . . . . 72.05 111.939 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.27 74.79 3.52 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 123.059 2.506 . . . . 71.15 111.929 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.1 t -118.92 147.0 44.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.595 -0.73 . . . . 70.35 109.973 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -28.1 69.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.435 . . . . 64.53 109.827 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -73.99 -20.19 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.939 -0.573 . . . . 72.23 110.735 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -85.01 -39.59 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.32 0.581 . . . . 72.22 109.661 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.11 -35.63 76.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 72.32 110.899 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.77 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 7.3 p -70.97 -18.54 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.12 111.37 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -75.19 -23.49 57.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.379 -0.373 . . . . 65.22 111.27 -175.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.45 -68.41 0.3 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.014 0.435 . . . . 64.22 110.927 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.611 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 53.3 tt0 -151.34 88.07 4.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.947 -0.569 . . . . 73.34 109.498 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.502 ' HB3' HG21 ' A' ' 21' ' ' VAL . 92.9 Cg_endo -83.54 148.58 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.808 2.339 . . . . 73.44 113.319 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -74.54 110.11 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.855 -0.794 . . . . 64.45 108.855 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 27' ' ' ARG . 21.7 ttm180 -74.2 101.03 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.417 0.448 . . . . 73.4 110.463 -176.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.548 ' HB3' HD22 ' A' ' 115' ' ' LEU . . . -107.95 147.12 31.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.335 -0.393 . . . . 74.31 110.353 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.465 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 97.14 -131.36 10.58 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.505 -0.855 . . . . 61.35 112.607 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.558 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -133.9 168.89 15.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.058 -0.349 . . . . 61.21 110.058 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.558 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 43.3 Cg_endo -69.98 0.13 6.26 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 74.01 112.548 174.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.41 -49.59 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.472 0.654 . . . . 74.12 109.461 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -120.54 99.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.644 0.735 . . . . 73.22 109.088 172.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 m -101.8 112.66 25.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.354 -0.839 . . . . 74.12 111.459 -172.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.582 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 4.6 mp -92.58 115.09 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.207 -0.664 . . . . 63.45 109.207 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.682 ' HB2' HG12 ' A' ' 86' ' ' VAL . 83.8 mt -96.32 119.63 35.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.372 . . . . 73.44 110.228 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.81 136.71 13.19 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.272 -0.965 . . . . 73.34 112.969 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.77 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mmm180 -143.97 112.74 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.238 -0.282 . . . . 74.33 110.238 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.29 125.92 27.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.093 -0.503 . . . . 64.54 110.409 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.4 ' C ' ' H ' ' A' ' 42' ' ' LEU . 53.8 t30 -126.17 146.74 49.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 179.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.63 32.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 73.43 112.627 -173.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 40' ' ' ASN . 83.5 mt -107.01 -20.22 13.38 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.057 -0.349 . . . . 64.02 110.057 174.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.4 25.44 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 111.31 -0.716 . . . . 72.41 111.31 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.419 ' HD2' ' OD2' ' A' ' 84' ' ' ASP . 30.6 t60 -106.66 104.05 49.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.623 0.249 . . . . 71.43 110.509 -171.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -88.72 95.82 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.483 2.122 . . . . 72.53 112.841 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.509 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 21.3 mmt180 -141.96 167.61 21.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.966 -0.561 . . . . 74.52 110.456 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 tt -122.02 137.43 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 75.43 109.543 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.6 77.85 0.36 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.549 -0.834 . . . . 75.0 112.201 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -70.89 108.14 4.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.035 0.445 . . . . 74.53 110.36 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -98.97 111.01 23.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.825 -0.625 . . . . 73.33 110.485 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.749 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 30.6 m -128.65 135.62 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.073 -0.512 . . . . 73.42 110.783 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.97 146.14 23.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.693 -0.484 . . . . 64.24 109.693 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.617 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.27 5.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.485 0.55 . . . . 74.55 112.485 -174.203 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -101.96 -31.37 10.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.118 -0.233 . . . . 75.05 111.048 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.518 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 6.7 p-10 -105.44 -28.05 11.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 63.25 110.867 -178.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.749 ' HB ' ' HB ' ' A' ' 51' ' ' VAL . 52.1 t -136.64 98.67 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 172.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.617 ' HB3' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -118.78 -33.09 4.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.426 0.528 . . . . 73.44 112.426 -167.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.711 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 60.3 mtt180 -85.39 148.41 26.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.759 0.314 . . . . 75.14 110.654 -174.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.4 87.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 64.15 110.387 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.98 -31.87 71.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.736 -0.666 . . . . 75.13 110.636 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.711 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 55.2 mt-10 -73.63 -44.7 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 70.55 110.151 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.565 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.01 -12.24 60.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.384 -0.371 . . . . 65.15 111.596 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -84.0 -48.98 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.414 -0.588 . . . . 71.34 109.414 170.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -54.62 -51.44 65.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.874 -1.057 . . . . 75.24 111.899 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 61' ' ' GLU . 35.8 mm -66.42 -28.25 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 75.22 110.974 -175.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 50.9 mttp -66.35 -46.41 76.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.693 0.283 . . . . 72.05 110.936 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -65.87 -32.1 73.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.848 0.356 . . . . 71.32 110.63 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.55 -45.7 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.957 -0.565 . . . . 73.32 110.045 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -81.63 -51.96 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.287 0.477 . . . . 61.14 112.287 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -66.84 -31.31 71.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.021 0.378 . . . . 62.43 112.021 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -65.57 -35.66 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.525 -0.546 . . . . 74.54 109.525 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -70.38 -33.91 71.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.839 -0.618 . . . . 61.14 110.376 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.582 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 45.1 m-85 -93.32 17.31 11.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 72.31 111.201 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -128.52 -50.21 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 61.54 110.362 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.21 -26.38 42.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.932 -0.576 . . . . 65.21 111.101 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.3 44.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.265 0.555 . . . . 72.3 109.593 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.27 -29.79 57.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.114 -0.948 . . . . 54.03 112.831 -170.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -84.27 22.55 1.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.046 0.45 . . . . 75.5 111.276 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -143.96 30.15 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.552 -0.749 . . . . 64.01 109.926 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.9 pp -145.01 154.65 54.99 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.17 -0.468 . . . . 73.11 111.098 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.7 Cg_endo -86.15 163.55 10.02 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.214 2.61 . . . . 64.45 112.044 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.59 88.39 7.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 64.2 110.977 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -151.74 163.74 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.934 -0.576 . . . . 74.31 110.375 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 6.8 m-20 -73.6 118.59 16.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.303 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -91.75 93.83 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.314 -0.403 . . . . 74.31 110.642 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.682 HG12 ' HB2' ' A' ' 36' ' ' LEU . 3.9 p -84.56 112.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.581 0.705 . . . . 55.04 109.773 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.7 114.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 74.22 110.233 -176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.3 108.04 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.351 -0.386 . . . . 61.13 110.007 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB2' HG22 ' A' ' 93' ' ' VAL . . . -87.68 113.99 23.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.037 -0.528 . . . . 62.01 110.188 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.53 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.2 mmpt? -85.26 173.03 10.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 70.5 110.192 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.518 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 20.3 pttp -68.37 113.2 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.372 0.606 . . . . 73.21 110.541 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.511 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 143.11 -31.26 1.97 Allowed Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.549 -0.75 . . . . 72.33 112.415 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.466 HG22 ' HB2' ' A' ' 89' ' ' ALA . 35.5 m -60.97 -30.51 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.71 0.291 . . . . 73.13 111.683 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.93 -4.23 56.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 65.34 110.814 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.63 -29.49 13.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.507 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 97.4 mt -53.95 137.35 39.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.664 -0.698 . . . . 74.21 111.454 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.563 ' OD2' ' HG2' ' A' ' 99' ' ' ARG . 24.5 t70 -76.06 168.95 19.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.717 -0.674 . . . . 74.44 110.327 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -56.06 -40.42 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.328 . . . . 64.25 110.835 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.563 ' HG2' ' OD2' ' A' ' 97' ' ' ASP . 30.0 ptt180 -75.32 -30.23 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.909 0.385 . . . . 71.1 110.702 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.79 74.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.912 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.01 -26.1 61.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.318 . . . . 73.51 110.402 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.0 t -68.67 -37.97 80.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.686 -0.487 . . . . 70.2 109.686 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -80.29 7.46 9.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 74.44 110.942 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.561 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -115.04 -35.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.098 -0.501 . . . . 71.24 110.421 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.1 -45.49 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 64.02 111.477 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -72.18 -16.07 61.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.951 -0.3 . . . . 55.13 111.101 -175.806 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.561 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.7 mmmt -73.97 -35.05 64.46 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.41 -0.589 . . . . 71.23 109.41 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.499 HD21 ' O ' ' A' ' 104' ' ' ALA . 1.8 mm? -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.038 -0.528 . . . . 64.01 110.236 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.594 . . . . 74.35 112.122 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.6 mtt-85 -65.9 -42.27 90.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.654 -0.418 . . . . 72.03 110.254 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.465 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 22.1 tpp180 -69.87 -39.17 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.705 -0.48 . . . . 74.24 109.705 175.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 25.9 t60 -54.88 -46.34 74.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.474 -0.785 . . . . 75.42 111.056 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 7.4 t -73.02 -24.83 60.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 64.31 111.299 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -88.55 -38.56 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 52.41 111.702 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 28' ' ' ALA . 47.9 tp -66.14 -43.56 86.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.409 . . . . 74.31 111.741 -174.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.19 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.177 0.436 . . . . 73.45 112.177 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -117.04 12.28 14.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.759 0.314 . . . . 73.22 110.854 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.76 167.45 23.6 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.823 -0.703 . . . . 70.53 112.203 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.4 -0.81 . . . . 73.52 110.502 179.581 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttp . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.039 0.447 . . . . 74.54 109.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t -135.03 105.67 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 75.11 110.522 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.4 -171.49 3.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.776 -0.453 . . . . 75.43 109.776 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.497 HD21 ' H ' ' A' ' 41' ' ' SER . 9.5 tp -70.08 -2.66 13.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.554 0.576 . . . . 74.32 112.554 -170.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.32 40.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.726 0.298 . . . . 74.14 110.506 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.53 157.67 61.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 62.24 110.822 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.72 144.27 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.589 2.193 . . . . 63.13 113.018 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -60.23 -24.06 64.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.452 -0.795 . . . . 72.33 110.902 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.87 63.43 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 74.34 109.811 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -179.48 -51.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.636 -1.166 . . . . 71.44 108.398 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.63 151.12 12.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.727 -1.124 . . . . 72.32 108.919 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.72 109.59 3.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.499 -0.556 . . . . 75.02 109.499 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.02 103.23 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.222 0.534 . . . . 74.04 110.391 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 32.1 p -92.48 133.25 30.0 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.463 176.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 8.2 Cg_exo -73.92 10.91 1.25 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.158 2.572 . . . . 64.4 112.96 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m -84.06 97.09 9.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.871 -0.418 . . . . 62.52 109.871 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.488 ' NE2' ' HB3' ' A' ' 84' ' ' ASP . 18.4 mt-30 -62.27 -31.19 71.74 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.475 -0.329 . . . . 62.24 111.094 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -52.76 -38.07 60.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.293 0.37 . . . . 71.53 111.518 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -77.06 -30.49 55.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 52.53 111.049 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -82.67 -43.16 17.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.071 0.462 . . . . 75.1 110.914 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 25' ' ' PRO . 9.5 p -70.11 -19.3 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.564 . . . . 73.42 110.219 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.13 -23.79 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 71.44 110.36 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -81.59 -63.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 73.54 110.106 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -140.0 101.87 6.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.604 . . . . 71.44 110.553 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HB3' HG21 ' A' ' 21' ' ' VAL . 65.7 Cg_endo -96.64 156.68 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.478 2.785 . . . . 62.33 113.389 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -83.68 98.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.825 -1.176 . . . . 75.13 107.825 167.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -73.54 113.84 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.653 -172.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.31 -176.48 3.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.676 -0.693 . . . . 74.01 110.166 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.11 -145.76 17.8 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.683 -0.77 . . . . 70.35 112.301 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.433 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.0 p -138.14 170.59 10.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.129 -0.323 . . . . 70.4 110.129 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 34.6 Cg_exo -62.27 -16.68 52.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.588 2.192 . . . . 33.44 112.606 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -85.16 -40.64 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.046 0.45 . . . . 73.41 110.411 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.486 HD11 HD22 ' A' ' 108' ' ' LEU . 11.4 tt -144.76 119.33 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.794 -0.639 . . . . 62.21 110.012 -177.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 m -102.37 132.52 48.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.934 -0.576 . . . . 74.41 111.446 -172.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 87' ' ' VAL . 3.0 mp -110.81 123.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.917 0.389 . . . . 74.23 110.228 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 111.8 24.03 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.313 -0.625 . . . . 64.45 109.313 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.449 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -109.77 138.65 14.96 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.193 -1.003 . . . . 64.35 114.046 -174.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -147.99 156.94 43.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.427 -0.953 . . . . 75.21 108.427 169.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.552 HD21 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -122.52 136.24 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.302 0.572 . . . . 64.54 111.823 -171.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -157.68 134.03 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 74.23 108.7 173.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.497 ' H ' HD21 ' A' ' 4' ' ' LEU . 7.8 t -79.95 82.05 6.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.276 0.56 . . . . 71.04 109.933 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.1 tp -99.61 -12.86 19.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 73.31 110.301 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.87 -75.42 2.37 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.722 -0.672 . . . . 74.32 111.816 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -86.88 116.03 64.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 73.21 110.198 178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -90.51 173.75 3.09 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.107 2.538 . . . . 62.11 113.772 -174.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.509 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 3.0 mmp_? -123.91 174.88 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.473 -0.936 . . . . 64.32 108.473 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 47' ' ' ILE . 11.2 tt -135.45 103.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.741 0.781 . . . . 75.22 110.175 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.72 134.59 13.52 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.484 -0.78 . . . . 73.32 111.769 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' HG ' HG22 ' A' ' 51' ' ' VAL . 41.1 tp -143.54 89.17 2.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.126 0.489 . . . . 44.34 110.037 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -89.45 91.03 8.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 64.12 110.211 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.495 HG22 ' HG ' ' A' ' 49' ' ' LEU . 83.9 t -96.65 111.86 27.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.528 -0.76 . . . . 53.34 109.959 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.18 126.12 30.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.258 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -77.91 4.83 11.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.132 0.491 . . . . 74.23 110.894 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -93.6 -21.42 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 74.33 110.261 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.473 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 33.7 p30 -116.07 -26.35 7.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.377 -0.374 . . . . 61.44 110.775 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' HB3' ' A' ' 94' ' ' ALA . 45.8 t -122.5 85.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.507 0.67 . . . . 70.43 109.2 171.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -101.42 41.36 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.715 0.769 . . . . 73.41 109.64 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.602 ' HE ' ' HA ' ' A' ' 58' ' ' ARG . 3.1 mmp_? -108.84 162.69 13.95 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.793 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.45 -58.45 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.022 0.439 . . . . 74.45 111.445 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -92.1 -24.65 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.328 0.585 . . . . 73.44 109.867 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.599 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 22.0 mp0 -69.81 -26.69 64.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.314 -0.857 . . . . 72.01 109.16 175.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.14 -0.936 . . . . 71.04 108.859 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -71.75 -32.27 67.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.315 -0.857 . . . . 74.11 110.368 177.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -59.14 -50.22 74.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 75.32 110.703 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -63.35 -38.55 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.348 0.594 . . . . 72.41 110.242 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -67.69 -39.26 84.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 63.2 111.531 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -80.98 -37.22 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.485 -0.325 . . . . 74.41 111.607 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -46.54 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.984 -0.376 . . . . 70.23 109.984 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 p -65.15 -48.18 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 71.25 111.388 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -64.01 -33.14 75.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 75.42 111.798 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.01 -57.91 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.496 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 17.5 p -64.66 -41.01 96.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 72.25 111.812 -175.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -55.11 -47.22 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.348 -0.387 . . . . 62.52 111.533 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -89.11 -21.06 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.358 -0.383 . . . . 63.11 111.173 -173.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.08 -26.88 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 51.51 110.402 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 72' ' ' SER . 7.7 mmm180 -109.34 23.95 13.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 72.24 109.936 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -68.82 -3.26 11.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.099 -0.5 . . . . 73.23 112.182 -172.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -88.46 -27.54 21.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.919 0.39 . . . . 72.11 110.276 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -112.09 -13.3 13.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.882 -0.599 . . . . 74.03 110.152 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tt -105.23 111.53 65.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.724 -0.671 . . . . 72.23 109.232 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.12 139.35 89.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.882 2.388 . . . . 72.11 112.524 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.6 97.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.641 . . . . 74.33 111.282 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.6 ' HE1' ' HZ ' ' A' ' 85' ' ' PHE . 16.5 ptt? -154.05 162.46 41.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.696 . . . . 73.44 109.642 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.509 ' OD1' ' HB2' ' A' ' 46' ' ' ARG . 11.6 t70 -77.93 143.9 37.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.418 . . . . 74.45 111.955 -172.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.6 ' HZ ' ' HE1' ' A' ' 83' ' ' MET . 80.3 m-85 -141.38 139.49 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 75.15 109.602 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.61 111.53 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.023 0.44 . . . . 64.32 110.782 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.469 HG23 HG13 ' A' ' 35' ' ' ILE . 54.6 t -96.96 130.7 45.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.116 -0.493 . . . . 53.41 110.249 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 63.1 t -116.49 129.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.491 -0.322 . . . . 74.25 110.16 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.03 129.95 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.837 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -99.07 172.02 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.977 -0.556 . . . . 73.42 110.089 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.473 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 18.5 pttp -82.55 59.12 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.387 0.613 . . . . 74.3 111.331 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -164.41 14.64 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.567 -0.742 . . . . 74.25 112.382 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.54 5.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 121.252 0.549 . . . . 74.02 110.455 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 56' ' ' VAL . . . -81.56 -30.65 32.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.273 0.559 . . . . 72.14 110.659 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -116.55 106.59 13.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.536 -0.756 . . . . 62.42 109.757 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.2 158.25 42.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.148 0.499 . . . . 72.34 111.932 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.83 162.4 14.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.394 -0.821 . . . . 75.44 109.921 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -62.07 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.738 -0.21 . . . . 74.42 111.478 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.88 -29.35 19.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 73.51 110.418 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.99 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 64.31 111.168 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.63 -24.39 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 74.22 110.861 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -79.69 -36.89 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.709 -0.478 . . . . 75.11 109.709 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.37 -44.61 94.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 74.15 110.287 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.457 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -73.53 -23.05 59.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.906 -0.588 . . . . 73.14 110.994 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.71 -43.89 90.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 74.4 110.61 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.489 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -71.29 -25.76 62.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.669 -0.412 . . . . 73.02 110.405 -177.729 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.489 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.502 . . . . 62.22 109.981 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.542 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 11.2 mp -74.53 -8.45 56.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.525 -0.761 . . . . 73.21 111.437 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -108.1 -45.79 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.336 . . . . 73.31 111.124 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.45 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 12.3 ttt180 -60.25 -48.02 83.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.459 -0.337 . . . . 65.22 111.086 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.93 -18.54 60.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.385 0.612 . . . . 74.45 110.182 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.1 t-160 -81.09 -47.88 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 74.45 110.621 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.28 -44.56 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 53.24 111.61 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.79 -19.94 64.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.888 0.375 . . . . 74.21 111.316 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -100.36 -46.26 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.781 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.74 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.372 0.508 . . . . 62.31 112.372 -173.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -75.86 -9.55 58.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.614 0.245 . . . . 74.03 111.57 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -102.79 151.09 18.04 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.618 -0.801 . . . . 62.52 112.442 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.429 -0.796 . . . . 74.51 109.686 176.279 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtm . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.989 -0.374 . . . . 55.44 109.989 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.73 102.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.601 -0.518 . . . . 70.2 109.601 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -154.69 134.41 12.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 54.55 109.842 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.416 ' HG ' HD12 ' A' ' 39' ' ' LEU . 2.4 tm? -91.88 -59.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.847 -0.797 . . . . 74.11 108.847 177.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.97 104.96 15.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 75.34 109.485 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -68.24 146.28 97.91 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 71.21 111.115 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.81 151.69 39.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.961 2.441 . . . . 70.42 112.745 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -1.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 75.25 112.17 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.83 -30.49 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.411 . . . . 71.51 110.714 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -80.14 -0.7 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 64.51 110.999 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 63.14 85.18 0.13 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.566 -0.743 . . . . 72.52 111.345 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.57 98.98 8.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 63.22 109.692 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 136.61 32.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 75.34 110.305 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 m 67.04 82.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 75.44 110.925 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' HA ' ' HE2' ' A' ' 20' ' ' PHE . 2.6 Cg_exo -77.39 45.9 1.85 Allowed 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.329 2.686 . . . . 74.11 112.408 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -92.71 127.41 38.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.311 -0.404 . . . . 65.1 110.292 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.3 -38.92 69.29 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.791 -0.641 . . . . 75.2 110.851 -174.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -56.7 -24.93 52.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.69 -0.686 . . . . 72.13 112.165 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -89.06 -36.63 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 74.01 110.867 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.538 ' HE2' ' HA ' ' A' ' 15' ' ' PRO . 82.5 m-85 -80.45 -48.82 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 71.23 112.086 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 17' ' ' GLN . 17.3 m -73.41 -5.64 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 73.12 110.96 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -89.12 -17.89 28.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.146 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.65 -52.36 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.061 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -120.4 80.0 29.2 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.09 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HB2' HD13 ' A' ' 36' ' ' LEU . 90.3 Cg_endo -94.89 140.7 1.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.154 2.57 . . . . 53.1 113.012 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -104.83 139.35 39.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 74.23 109.948 171.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HG2' HG21 ' A' ' 34' ' ' THR . 4.2 tmm_? -87.14 100.15 12.45 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.386 -0.598 . . . . 73.42 109.386 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.25 144.89 30.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.466 . . . . 61.33 111.497 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 108' ' ' LEU . . . 89.21 -104.67 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.852 -0.613 . . . . 73.44 113.309 173.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.498 HG21 ' HB2' ' A' ' 104' ' ' ALA . 17.7 p -128.33 163.3 45.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.336 0.112 . . . . 75.01 111.132 -175.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -87.22 -10.29 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.816 2.344 . . . . 70.14 113.086 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -89.35 -35.38 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.123 0.487 . . . . 73.03 110.207 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tt -129.19 108.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.429 -0.952 . . . . 74.35 108.429 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.53 HG21 ' HG2' ' A' ' 27' ' ' ARG . 7.1 m -96.1 123.95 39.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 73.24 112.04 -167.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.567 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 3.6 mp -99.98 119.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.294 -0.632 . . . . 72.2 109.294 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.626 ' HB2' HG12 ' A' ' 86' ' ' VAL . 2.9 mm? -106.65 135.72 47.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.828 0.347 . . . . 63.23 110.267 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.61 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . 174.0 -174.73 46.43 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.671 -0.776 . . . . 45.03 112.025 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -170.47 -71.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.765 0.426 . . . . 63.43 109.86 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 HD12 ' HG ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -156.44 109.97 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.449 -0.575 . . . . 65.43 109.449 -178.017 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -140.15 113.84 8.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.287 -0.415 . . . . 74.34 110.126 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -80.01 67.2 5.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 75.53 111.196 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.9 tp -78.97 -31.9 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 74.02 109.95 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 -16.13 60.08 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.915 -0.66 . . . . 71.42 112.01 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -126.24 113.81 23.69 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.893 -0.41 . . . . 65.44 109.893 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -61.65 106.56 0.44 Allowed 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.47 2.113 . . . . 73.02 110.712 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -130.84 145.06 51.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.026 0.441 . . . . 75.43 111.148 -173.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 HD12 ' HB ' ' A' ' 69' ' ' THR . 5.5 tt -98.28 110.65 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.713 -0.676 . . . . 74.51 110.256 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 62.92 3.48 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.841 -0.695 . . . . 73.24 111.93 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 69' ' ' THR . 63.4 tp -63.04 116.08 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.92 0.391 . . . . 72.31 110.414 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 m -118.27 109.47 16.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 73.44 109.886 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.0 141.59 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 63.21 110.315 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.78 169.07 8.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.208 -0.451 . . . . 72.34 110.668 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -86.78 -2.52 58.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.156 0.503 . . . . 72.54 110.191 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -95.81 -29.89 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.104 -0.498 . . . . 73.22 111.655 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' ND2' HG21 ' A' ' 56' ' ' VAL . 2.6 p-10 -93.77 -25.0 17.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.805 0.336 . . . . 71.41 111.186 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.499 HG21 ' ND2' ' A' ' 55' ' ' ASN . 85.5 t -122.17 107.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.357 -0.609 . . . . 73.21 109.357 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -93.42 -29.52 15.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 74.24 111.776 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -97.22 136.27 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.153 0.501 . . . . 74.43 111.272 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.36 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 74.01 112.164 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 84.4 m-70 -70.62 -21.32 62.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.877 0.37 . . . . 53.01 111.222 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 65' ' ' ILE . 52.8 mm-40 -72.75 -33.62 66.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.848 -0.427 . . . . 74.4 109.848 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.421 ' HB2' HG11 ' A' ' 56' ' ' VAL . 53.1 ttp180 -66.71 -28.74 68.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 74.11 109.739 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 15.9 m120 -61.79 -49.57 75.82 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.83 -0.623 . . . . 65.42 109.402 172.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.74 -40.56 97.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.392 -0.822 . . . . 75.42 111.224 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.546 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.5 mm -60.57 -43.3 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 71.33 111.142 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -74.04 -18.73 60.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 65.44 111.416 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 40.5 mtp85 -81.1 -36.28 30.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 71.23 110.692 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -73.0 -44.23 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 70.45 110.221 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.475 ' HB ' HD12 ' A' ' 47' ' ' ILE . 12.4 p -65.32 -49.56 68.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 75.24 111.535 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -81.19 11.48 4.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 73.2 110.842 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -99.38 -52.34 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.144 -0.687 . . . . 73.12 109.144 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -67.65 -46.04 73.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.518 -0.765 . . . . 75.41 111.034 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.567 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 81.0 m-85 -79.56 5.21 13.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 74.31 111.687 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -109.78 -51.17 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.389 -0.226 . . . . 75.25 110.389 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.95 -26.68 65.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 64.4 111.032 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.449 ' HG2' ' CD1' ' A' ' 109' ' ' TRP . 9.1 mpt_? -103.16 46.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 65.34 109.643 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -71.36 -18.03 62.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.259 -0.882 . . . . 62.41 111.369 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.24 10.54 41.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.603 -0.271 . . . . 74.41 110.749 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -98.4 12.46 34.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 75.21 110.723 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 112' ' ' HIS . 2.5 pt? -153.95 150.95 23.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.388 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.8 Cg_exo -76.65 -157.42 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.031 2.487 . . . . 70.45 111.609 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.54 45.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 71.42 111.149 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.8 mmt -115.1 148.59 38.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.906 -0.588 . . . . 54.45 109.845 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -112.54 156.67 22.25 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.625 -0.509 . . . . 75.32 109.625 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.61 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 95.2 m-85 -138.37 137.58 37.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 74.1 110.65 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.626 HG12 ' HB2' ' A' ' 36' ' ' LEU . 6.8 p -88.74 128.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 75.24 109.849 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.0 t -111.9 112.39 40.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.473 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.66 118.38 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.151 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.496 ' HB3' HG13 ' A' ' 93' ' ' VAL . . . -91.95 148.79 21.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.982 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.557 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 8.9 mmpt? -90.89 173.88 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.614 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.696 ' HB3' ' HZ1' ' A' ' 91' ' ' LYS . 6.2 ttpm? -77.13 120.87 22.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.662 -0.496 . . . . 65.34 109.662 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.497 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 126.51 -23.72 5.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.33 -0.938 . . . . 72.42 112.253 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.496 HG13 ' HB3' ' A' ' 89' ' ' ALA . 10.2 p -61.1 -27.77 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.335 0.588 . . . . 74.5 110.667 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -82.91 3.1 31.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.548 -0.751 . . . . 63.15 110.921 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -133.4 26.3 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.421 0.629 . . . . 73.14 110.32 -176.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 89.7 mt -103.57 156.91 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.921 -0.581 . . . . 73.34 111.387 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.79 142.69 57.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.142 173.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.83 -32.13 73.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.459 0.647 . . . . 72.42 109.36 173.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.9 ttp180 -58.5 -43.71 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.894 -1.048 . . . . 75.31 110.796 174.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.08 89.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 73.15 110.754 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.42 -40.19 96.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.879 -0.6 . . . . 64.24 110.365 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -61.08 -44.58 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.795 -0.639 . . . . 65.11 110.687 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 40.6 mm-40 -63.58 -41.51 98.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 73.4 110.84 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 30' ' ' THR . . . -72.32 -24.52 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 63.45 111.926 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tt -56.95 -46.48 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 74.11 111.092 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.571 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -71.75 -25.44 62.05 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.922 -0.311 . . . . 71.01 111.223 -176.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.571 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 18.9 mmmt -71.79 -41.74 67.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.959 -0.756 . . . . 71.41 108.959 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.491 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 32.6 tp -64.86 -47.71 76.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.205 -0.907 . . . . 74.21 110.43 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.449 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 40.1 t90 -53.03 -53.45 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 75.11 112.246 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -67.15 -40.77 86.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 74.3 112.204 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HD3' ' O ' ' A' ' 111' ' ' ARG . 8.5 tpp180 -72.43 -32.79 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.044 -0.354 . . . . 75.33 110.044 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.579 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 58.1 t-80 -58.58 -42.34 87.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 64.4 110.03 176.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.7 -55.21 14.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 63.53 110.956 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.88 -26.87 68.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 62.14 112.212 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.41 -46.79 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.801 -0.36 . . . . 74.54 111.097 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.13 71.15 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.041 0.385 . . . . 72.43 112.041 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 117' ' ' ARG . 24.0 mtt180 -95.14 1.5 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.729 -0.389 . . . . 74.55 110.944 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.18 -138.75 3.32 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.288 -0.958 . . . . 73.12 113.172 -175.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.674 -0.679 . . . . 60.33 109.873 -175.143 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.137 -0.32 . . . . 74.24 110.137 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.82 -17.34 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.338 0.495 . . . . 74.25 112.338 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -109.74 119.9 40.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.116 0.484 . . . . 75.53 110.309 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.427 HD12 ' HG ' ' A' ' 39' ' ' LEU . 4.7 tt -82.04 120.11 24.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.464 -0.789 . . . . 65.31 110.078 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.04 101.99 14.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.244 -0.434 . . . . 72.33 110.227 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -97.17 146.74 31.86 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 73.25 110.718 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.15 164.11 36.64 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.48 2.12 . . . . 75.54 111.657 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -15.25 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 74.13 111.29 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.33 -16.9 47.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.882 -0.599 . . . . 61.13 110.164 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -84.4 110.39 18.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.316 -0.624 . . . . 61.01 109.316 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -149.7 -169.04 3.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.028 -0.533 . . . . 73.12 109.849 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.61 86.59 0.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 70.3 111.175 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.16 -62.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.991 -0.744 . . . . 72.44 108.991 177.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 5.2 t -159.83 141.61 9.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.559 -0.746 . . . . 74.3 109.766 177.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 14.1 Cg_exo -70.82 -9.35 25.57 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.852 2.368 . . . . 71.41 111.737 174.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 t -75.46 115.59 15.28 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.591 -0.522 . . . . 75.12 109.591 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' O ' HG21 ' A' ' 21' ' ' VAL . 80.2 mm-40 -69.68 -20.49 63.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.026 -0.533 . . . . 74.34 111.264 -174.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -55.8 -29.9 60.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 74.23 111.456 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -105.15 -28.67 10.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.23 0.538 . . . . 71.34 110.392 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -69.35 -34.03 73.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 64.34 111.442 -174.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG21 ' O ' ' A' ' 17' ' ' GLN . 16.3 m -89.75 -13.2 9.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.148 0.499 . . . . 71.52 110.435 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -77.39 -5.67 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 64.35 110.609 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -59.61 -40.75 88.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.203 0.525 . . . . 72.01 109.732 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -151.34 81.4 6.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.602 -0.726 . . . . 71.0 109.25 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.32 101.67 1.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.299 1.999 . . . . 73.54 112.346 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -77.81 118.59 20.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 64.14 110.164 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -83.47 117.01 22.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.492 -0.776 . . . . 75.11 110.874 -172.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.61 174.65 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.558 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.42 ' HA3' HD13 ' A' ' 35' ' ' ILE . . . 94.58 -142.32 15.98 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.69 -0.767 . . . . 62.43 112.838 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.457 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -109.66 151.99 42.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.053 -0.351 . . . . 73.4 110.053 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 9.7 Cg_endo -54.8 -39.73 88.37 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.249 1.966 . . . . 63.53 111.841 170.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -73.81 -38.4 64.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.186 -0.461 . . . . 65.42 111.023 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 HD13 HG22 ' A' ' 69' ' ' THR . 5.5 tt -128.63 108.56 17.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 74.4 110.059 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.539 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 22.2 m -93.07 129.96 38.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 62.41 111.738 -171.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.42 HD13 ' HA3' ' A' ' 29' ' ' GLY . 4.1 mp -109.69 118.2 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.27 -0.641 . . . . 64.44 109.27 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.736 ' HB2' HG11 ' A' ' 86' ' ' VAL . 96.8 mt -112.39 146.61 38.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 73.41 110.583 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.73 -178.32 37.26 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.253 -0.739 . . . . 53.5 111.253 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -147.24 -82.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.539 -0.541 . . . . 75.34 109.539 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 38' ' ' ARG . 37.0 tp 170.33 90.94 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.136 -1.061 . . . . 75.44 108.136 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.46 ' O ' ' HG3' ' A' ' 83' ' ' MET . 9.8 m120 -135.45 151.86 50.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.096 -0.502 . . . . 71.42 110.107 -169.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -96.53 94.69 7.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.765 0.317 . . . . 64.12 111.026 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.675 HD21 ' HA ' ' A' ' 83' ' ' MET . 4.4 mm? -99.41 -27.38 13.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.044 0.449 . . . . 73.44 110.614 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.54 -48.29 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.928 -0.653 . . . . 75.34 112.293 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -126.2 153.42 74.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.923 -0.399 . . . . 72.12 109.923 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.89 136.61 74.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.068 2.512 . . . . 73.14 112.995 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 47' ' ' ILE . 3.7 tmt_? -144.47 143.14 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.49 -0.93 . . . . 73.42 108.49 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.484 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 11.2 tt -136.78 140.4 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 73.41 110.849 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.13 106.57 0.69 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.288 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.8 tp -77.72 122.8 25.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 74.55 110.586 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.508 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 28.4 m -94.39 109.54 21.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.954 -0.566 . . . . 74.22 110.139 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.428 ' HA ' HD22 ' A' ' 55' ' ' ASN . 12.2 p -142.41 145.56 23.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.965 -0.561 . . . . 72.13 109.952 -179.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.22 -175.19 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.458 -0.337 . . . . 74.24 110.496 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.596 ' HB2' ' HZ2' ' A' ' 53' ' ' LYS . 3.9 ttmp? -82.7 13.73 3.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 74.31 110.849 -178.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -114.76 -30.65 6.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.782 0.29 . . . . 63.35 111.782 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.428 HD22 ' HA ' ' A' ' 51' ' ' VAL . 24.3 p-10 -99.2 -37.07 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.14 -0.224 . . . . 65.11 111.401 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -129.6 100.96 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 71.44 109.963 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 51.8 mtm180 -102.44 13.53 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.14 -0.482 . . . . 63.22 111.159 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.46 124.57 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 70.51 110.107 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 62' ' ' ARG . . . -72.19 -34.29 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.732 0.641 . . . . 73.11 112.732 -170.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -68.89 -46.14 69.15 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.336 0.588 . . . . 73.3 109.947 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.545 ' O ' HG12 ' A' ' 65' ' ' ILE . 3.3 mp0 -58.87 -33.39 70.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.11 -0.95 . . . . 71.45 110.799 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 24.1 ttp180 -49.8 -44.39 49.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.819 -0.628 . . . . 74.22 111.21 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -88.57 0.99 55.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.412 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -103.17 -34.22 8.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.615 -0.266 . . . . 75.21 110.747 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 61' ' ' GLU . 47.3 mm -66.37 -41.74 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.13 110.823 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -75.96 3.09 10.93 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.821 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -77.7 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 72.32 109.854 174.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.4 ' O ' HD12 ' A' ' 68' ' ' LEU . 3.0 tm? -66.12 -38.01 87.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 75.2 110.719 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.451 HG22 HD13 ' A' ' 33' ' ' ILE . 36.9 p -58.02 -49.79 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.399 . . . . 70.24 111.378 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -74.8 -31.91 61.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 72.52 110.843 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.31 -53.42 44.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.408 -0.36 . . . . 74.13 110.619 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -63.31 -36.87 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.371 . . . . 73.11 110.769 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.98 -45.03 96.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.545 -0.752 . . . . 73.21 111.031 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.01 -38.42 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.33 111.985 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.15 -22.06 66.87 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.856 0.688 . . . . 73.41 112.856 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 19.6 mmt180 -111.84 35.25 3.77 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.287 -0.258 . . . . 74.31 111.289 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -25.68 65.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.731 -0.668 . . . . 73.2 111.494 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -74.7 -20.15 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.357 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -118.12 41.68 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 64.52 111.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 80' ' ' LEU . 4.1 pp -155.53 145.3 15.52 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 73.43 111.971 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.9 Cg_exo -81.13 162.6 20.31 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.001 2.467 . . . . 73.2 110.561 167.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.99 95.79 10.26 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.339 0.496 . . . . 75.31 112.339 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.675 ' HA ' HD21 ' A' ' 42' ' ' LEU . 3.8 mpp? -129.66 179.23 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.716 -0.674 . . . . 71.3 109.987 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.472 ' CG ' ' HD2' ' A' ' 46' ' ' ARG . 44.2 t0 -93.59 107.57 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.986 -0.746 . . . . 63.3 108.986 171.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.5 100.6 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.869 -0.605 . . . . 75.14 110.868 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.736 HG11 ' HB2' ' A' ' 36' ' ' LEU . 3.2 p -78.37 113.3 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.392 -0.822 . . . . 75.01 110.032 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.38 112.19 37.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.38 -0.827 . . . . 62.31 110.543 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 47.6 t -94.52 109.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.047 -0.524 . . . . 70.11 110.304 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.488 ' HB3' HG11 ' A' ' 93' ' ' VAL . . . -84.8 121.25 27.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.966 -0.561 . . . . 74.44 110.238 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.51 156.55 22.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.409 -0.359 . . . . 72.2 110.566 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -57.67 136.42 56.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 63.12 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.54 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 111.33 -24.51 15.69 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.923 -0.656 . . . . 74.4 111.781 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 89' ' ' ALA . 8.2 p -59.22 -29.99 42.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 121.02 0.438 . . . . 74.45 111.356 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.28 17.53 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 64.12 111.239 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -147.26 32.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.773 0.797 . . . . 64.33 109.882 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 94.0 mt -105.21 167.45 9.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 74.02 111.146 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.41 160.27 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.622 -0.717 . . . . 65.44 110.236 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 27.6 t-20 -59.07 -27.87 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 64.01 110.972 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -66.66 -18.89 65.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.593 -0.276 . . . . 62.4 111.028 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.69 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.626 -0.261 . . . . 60.21 111.453 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 98' ' ' ASN . 4.3 pp -73.9 -22.19 59.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 73.53 110.607 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 t -76.33 -38.98 55.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 65.22 109.769 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -67.91 -49.33 62.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 64.31 110.246 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.624 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -62.28 -23.37 66.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.742 -0.663 . . . . 70.05 111.684 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 tp -58.49 -43.9 89.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 72.01 110.917 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.59 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -77.03 -29.79 55.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.638 -0.425 . . . . 73.2 110.009 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.624 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.8 mmmt -64.58 -30.31 71.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.161 0.505 . . . . 71.52 109.638 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.546 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 4.2 mm? -80.92 -61.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 73.41 110.687 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -57.91 -56.47 21.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.572 0.582 . . . . 73.03 112.572 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.17 -37.63 83.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.78 . . . . 74.23 111.075 -173.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -82.86 -35.57 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.906 -0.588 . . . . 72.25 111.164 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.546 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.0 t-160 -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 72.12 110.941 -174.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.2 t -64.21 -41.45 97.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.721 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -70.5 -22.7 62.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.45 111.103 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -85.15 -46.61 10.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.278 -0.419 . . . . 74.32 110.668 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -30.17 71.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 75.42 111.196 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -93.15 93.33 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.493 . . . . 64.14 110.069 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 140.71 45.51 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.82 -0.627 . . . . 73.43 111.871 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.394 -0.813 . . . . 75.3 109.848 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.778 0.323 . . . . 61.24 110.534 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.65 168.81 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.165 -0.47 . . . . 72.22 109.91 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.492 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 31.7 ttpt -158.57 172.52 18.15 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.083 -0.71 . . . . 74.11 109.083 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 3.6 mm? -83.25 73.67 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.343 0.592 . . . . 73.43 110.29 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.06 93.35 2.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.312 -0.858 . . . . 74.53 109.917 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 93.3 m-85 -99.46 113.78 65.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 75.21 109.8 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 12.9 Cg_endo -56.0 -17.65 20.04 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.54 2.827 . . . . 73.21 113.285 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' HE ' ' CD ' ' A' ' 9' ' ' GLU . 3.1 ptm180 -70.26 -42.72 71.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 75.35 111.472 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.418 ' HG2' ' HG2' ' A' ' 23' ' ' GLN . 27.6 mp0 -106.15 5.54 30.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 75.44 110.68 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -70.21 -11.26 60.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.425 . . . . 75.15 111.936 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -71.91 -25.92 62.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.49 -0.559 . . . . 73.44 109.49 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.4 mt -86.99 87.51 7.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.828 -0.624 . . . . 75.43 109.815 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -76.14 115.17 15.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.462 0.649 . . . . 51.43 111.244 -178.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 6.7 t -161.39 135.49 5.08 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.753 -0.658 . . . . 72.34 110.095 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 3.3 Cg_exo -81.24 9.47 3.84 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.955 2.437 . . . . 70.2 111.972 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -83.6 112.3 19.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 74.11 110.844 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' HG12 ' A' ' 21' ' ' VAL . 1.4 pm0 -70.01 -24.92 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.816 -0.439 . . . . 72.25 109.816 175.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -62.74 -33.1 74.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.246 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.88 -0.6 . . . . 72.33 110.304 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 24.7 t80 -79.63 -36.01 38.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.026 -0.534 . . . . 63.52 110.442 -178.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.884 ' HB ' ' HA2' ' A' ' 37' ' ' GLY . 18.9 m -74.75 -25.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 71.24 110.582 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -70.07 -16.65 63.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.174 0.511 . . . . 61.34 110.463 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.56 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 60.4 mt-30 -65.13 -29.36 70.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.677 -0.692 . . . . 72.13 111.326 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . 59.9 tt0 -169.59 77.65 0.68 Allowed Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.698 -0.482 . . . . 75.5 109.698 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -88.53 131.27 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.785 2.324 . . . . 73.24 113.174 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -84.29 139.16 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.775 -0.454 . . . . 71.21 109.775 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' HA ' HD22 ' A' ' 36' ' ' LEU . 2.3 tmm_? -96.74 113.02 24.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.447 -173.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.91 141.07 44.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.429 -0.35 . . . . 70.41 110.654 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.01 -137.13 10.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.599 -0.81 . . . . 74.13 112.612 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.6 p -130.18 163.52 47.15 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.364 . . . . 70.53 110.019 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.52 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 37.7 Cg_endo -66.83 -8.15 20.56 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 74.52 113.154 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.523 HE21 ' HA ' ' A' ' 93' ' ' VAL . 51.7 tp60 -99.07 -31.34 11.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 74.4 110.167 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 tt -144.14 108.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.573 0.702 . . . . 73.53 109.463 174.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -111.04 131.46 55.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.505 -0.77 . . . . 70.33 111.247 -173.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 35' ' ' ILE . 3.4 mp -101.01 118.64 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.304 -0.628 . . . . 70.1 109.304 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 27' ' ' ARG . 80.2 mt -120.72 164.38 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.947 -0.57 . . . . 72.21 110.045 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.884 ' HA2' ' HB ' ' A' ' 21' ' ' VAL . . . 147.57 167.73 13.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 119.884 -1.15 . . . . 61.2 113.448 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.612 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 17.4 ptt180 -163.1 143.85 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.497 -0.927 . . . . 73.31 108.497 174.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 40' ' ' ASN . 16.2 tp -169.92 -104.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.773 -0.455 . . . . 55.32 109.773 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 61.1 t30 178.18 157.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.8 -0.815 . . . . 73.42 108.8 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -71.7 84.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.218 0.532 . . . . 64.11 109.91 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.51 -7.17 32.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.956 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.07 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.451 -0.881 . . . . 52.5 112.06 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -135.94 86.8 25.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.745 0.307 . . . . 73.44 110.434 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.539 ' HB3' ' HA ' ' A' ' 82' ' ' ALA . 73.1 Cg_endo -90.48 142.81 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.923 2.415 . . . . 72.35 113.077 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 12.7 tpt180 -157.37 143.24 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.726 -0.472 . . . . 71.34 109.726 176.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 tt -87.5 116.26 29.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.373 0.606 . . . . 71.21 110.957 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.66 69.74 0.61 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.024 -0.608 . . . . 45.3 111.787 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.27 109.88 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.151 0.5 . . . . 73.12 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.0 m -101.8 100.05 10.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.868 -0.606 . . . . 75.3 110.06 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.78 115.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.399 -0.818 . . . . 74.22 110.665 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.81 158.11 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.654 -0.703 . . . . 62.21 110.786 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.42 -10.29 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 74.5 111.631 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 21.0 ptmt -93.7 -12.64 28.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.997 0.427 . . . . 73.21 110.311 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.546 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.0 m-20 -102.25 -50.48 3.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 71.11 110.203 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG13 ' HG3' ' A' ' 62' ' ' ARG . 45.5 t -126.07 126.74 70.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.508 -0.923 . . . . 63.41 108.508 174.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.607 ' HB2' ' HD2' ' A' ' 58' ' ' ARG . 81.1 mtt180 -101.06 -63.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 71.4 111.955 -165.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.723 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 4.7 mpt_? -68.38 145.52 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.573 -168.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.83 81.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 72.43 110.731 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.42 -36.84 85.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.225 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.723 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 60.5 mt-10 -65.28 -56.04 14.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.208 0.528 . . . . 60.33 110.19 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 62' ' ' ARG . 50.4 mtm180 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.42 -0.809 . . . . 74.43 111.595 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.463 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 27.1 t-20 -69.6 -45.69 68.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.157 -0.312 . . . . 75.04 110.157 174.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -64.09 -40.12 95.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 75.55 111.16 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.499 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.2 mm -60.91 -37.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.25 110.754 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -78.06 -1.02 30.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.375 . . . . 70.31 111.565 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 51.7 mtt180 -99.66 -37.0 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 75.42 109.947 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.98 -58.06 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.314 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.5 p -68.02 -32.75 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 75.14 111.693 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -72.96 -20.33 61.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.677 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -97.66 -28.83 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 65.23 110.924 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.2 p -67.44 -45.27 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 64.23 110.881 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' HA ' ' CH2' ' A' ' 109' ' ' TRP . 55.1 m-85 -72.59 -11.56 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.448 . . . . 74.1 110.863 177.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -102.1 -5.93 23.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 75.11 110.354 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.6 tp -77.62 -58.47 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 64.15 110.398 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.413 ' O ' ' HZ2' ' A' ' 109' ' ' TRP . 28.4 mtp85 -129.9 77.03 1.76 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 64.51 110.575 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.523 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -75.23 2.52 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 63.24 111.869 -177.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.6 -11.65 42.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.715 -0.476 . . . . 75.54 109.715 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.406 ' HG2' ' HB3' ' A' ' 76' ' ' ARG . 35.1 mm-40 -94.19 11.27 30.75 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.081 -0.711 . . . . 74.44 109.081 173.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD11 ' CE1' ' A' ' 112' ' ' HIS . 22.9 tp -132.2 125.22 19.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.027 -0.988 . . . . 73.33 110.307 -173.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' HB2' ' HE3' ' A' ' 83' ' ' MET . 24.8 Cg_exo -63.45 137.97 62.92 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.243 1.962 . . . . 72.01 110.772 172.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.539 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -75.94 86.93 2.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.089 0.471 . . . . 75.3 111.937 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.463 ' HE3' ' HB2' ' A' ' 81' ' ' PRO . 24.1 ptp -157.5 -178.7 7.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.376 -0.829 . . . . 54.24 109.478 177.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 46' ' ' ARG . 4.8 m-20 -82.39 119.46 24.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.762 0.315 . . . . 74.43 110.866 177.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -112.14 133.25 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.32 -0.4 . . . . 73.33 110.595 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.7 t -94.73 118.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.099 -0.501 . . . . 73.3 110.726 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.82 105.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.056 -0.52 . . . . 65.13 110.021 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.5 t -89.96 106.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 72.31 110.657 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.481 ' HB3' HG12 ' A' ' 93' ' ' VAL . . . -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 74.21 109.948 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.0 mmpt? -80.23 176.65 9.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 71.54 111.524 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.546 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 48.2 mtmt -67.87 126.87 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.496 -0.774 . . . . 74.32 111.358 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.92 29.82 66.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.604 -0.726 . . . . 54.41 112.884 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.523 ' HA ' HE21 ' A' ' 32' ' ' GLN . 8.1 p -69.76 -21.53 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.922 0.392 . . . . 70.32 110.87 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 65' ' ' ILE . . . -90.54 -2.31 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 65.24 110.994 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.83 35.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.188 0.994 . . . . 63.12 110.082 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.3 153.86 35.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.285 -0.87 . . . . 74.52 109.589 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.81 151.25 47.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.756 -0.461 . . . . 73.34 109.756 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -24.47 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.719 0.295 . . . . 71.15 111.132 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 99' ' ' ARG . 12.1 ttm180 -68.01 -51.07 51.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 73.42 109.325 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.2 88.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.427 -0.806 . . . . 74.44 111.01 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.13 -45.2 87.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 74.51 110.624 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 t -66.59 -41.69 88.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.126 -0.488 . . . . 72.04 110.26 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.45 5.56 10.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 70.33 111.491 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.74 -35.83 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 33.1 109.697 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 2.8 tm? -66.0 -43.82 86.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.29 -0.868 . . . . 74.23 110.034 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -61.8 -31.85 72.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 70.32 110.934 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -61.81 -51.9 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 72.22 110.424 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -71.97 -30.52 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.875 -0.602 . . . . 75.14 111.374 -175.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.422 ' CH2' ' HA ' ' A' ' 73' ' ' PHE . 23.5 t-105 -81.02 -39.06 26.44 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.669 -0.412 . . . . 74.22 110.458 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.87 -34.94 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.288 -0.634 . . . . 51.23 109.288 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.466 -0.788 . . . . 70.24 109.995 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.496 ' CE1' HD11 ' A' ' 80' ' ' LEU . 22.0 t-80 -71.25 -39.9 71.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.894 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.66 -47.64 84.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.155 0.502 . . . . 72.42 110.138 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -79.96 15.39 1.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 65.04 111.306 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 tp -125.62 -50.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.873 0.368 . . . . 74.5 110.591 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.62 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 73.2 111.487 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 117' ' ' ARG . 67.7 mtt-85 -87.68 14.9 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 74.41 110.928 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.97 -111.59 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.84 -0.695 . . . . 74.11 111.898 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.385 -0.816 . . . . 72.44 109.503 179.338 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.8 mtm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.24 -0.282 . . . . 71.21 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 145.61 10.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.388 -0.369 . . . . 72.32 110.32 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.559 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 37.8 ttmt -152.59 156.62 39.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.404 -0.362 . . . . 72.53 110.265 -173.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 3.7 mm? -72.19 -23.53 61.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.069 0.461 . . . . 71.21 110.072 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.559 ' H ' ' HG2' ' A' ' 3' ' ' LYS . . . -99.75 120.44 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 41.1 109.281 174.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 92.4 m-85 -75.14 132.76 76.12 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.458 -0.337 . . . . 73.21 110.815 -176.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 21.9 Cg_exo -66.33 1.47 2.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.142 2.561 . . . . 74.11 112.731 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -85.22 -9.78 57.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.903 -0.59 . . . . 75.52 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.618 ' HG3' HD22 ' A' ' 10' ' ' LEU . 5.3 pt-20 -75.96 -18.28 59.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.86 0.362 . . . . 63.04 110.487 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.618 HD22 ' HG3' ' A' ' 9' ' ' GLU . 2.9 mm? -84.18 77.07 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.185 0.517 . . . . 73.41 109.637 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 69.0 ttt180 -165.5 160.18 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 74.43 109.341 -175.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.01 106.84 0.46 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.233 0.539 . . . . 72.13 109.758 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 11' ' ' ARG . 96.6 mt -114.96 143.9 44.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.73 -0.668 . . . . 74.04 110.111 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -68.25 127.45 93.26 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 109.648 -0.501 . . . . 65.33 109.648 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.65 96.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.239 2.626 . . . . 44.24 113.076 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 t -172.34 123.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.195 -0.911 . . . . 75.2 108.9 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.94 -17.75 54.96 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.714 -0.394 . . . . 63.55 110.207 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 21' ' ' VAL . 89.4 m-85 -84.58 -45.42 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 73.4 110.004 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.682 ' HA ' ' HD2' ' A' ' 22' ' ' PHE . 23.7 m -66.51 -12.59 58.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.251 0.548 . . . . 72.34 110.961 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.5 -39.56 80.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.818 -0.628 . . . . 74.13 110.509 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 18' ' ' PHE . 13.4 m -85.89 -7.25 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 53.23 110.863 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.682 ' HD2' ' HA ' ' A' ' 19' ' ' THR . 24.7 m-85 -77.18 3.72 12.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.075 0.464 . . . . 63.4 110.936 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -87.25 -69.76 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.991 -0.744 . . . . 73.53 108.991 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -143.37 99.01 5.38 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 72.4 109.796 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -93.81 170.93 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.052 2.501 . . . . 74.24 113.627 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -117.14 99.46 7.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.784 -0.644 . . . . 64.3 109.386 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.479 ' HG3' HG22 ' A' ' 34' ' ' THR . 40.1 ttt-85 -75.79 118.8 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.108 -0.496 . . . . 64.41 111.458 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.08 91.7 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.871 -0.604 . . . . 74.25 110.272 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.15 -158.03 17.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.103 -0.57 . . . . 50.34 111.828 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.499 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 68.3 p -114.96 173.78 2.72 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.426 -0.213 . . . . 72.32 110.426 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 31.6 Cg_exo -61.09 -27.63 84.58 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.683 2.255 . . . . 61.54 113.269 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -91.52 -35.7 14.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.807 -0.357 . . . . 74.34 111.474 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 tt -128.11 104.39 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.658 0.742 . . . . 73.21 110.22 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.479 HG22 ' HG3' ' A' ' 27' ' ' ARG . 52.9 m -101.06 112.29 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.449 -0.796 . . . . 72.03 111.323 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.4 mt -94.65 115.13 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 71.24 110.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.689 ' HB2' HG11 ' A' ' 86' ' ' VAL . 3.1 mm? -86.57 105.08 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.221 -0.659 . . . . 74.15 109.221 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.6 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -96.13 160.98 22.37 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.563 -0.827 . . . . 64.44 112.836 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -141.54 138.45 32.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.026 -0.361 . . . . 65.12 110.026 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 2.6 mm? -88.36 4.55 45.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.002 0.43 . . . . 71.11 110.534 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.08 98.79 0.61 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.557 -0.905 . . . . 72.3 108.557 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 12.4 t -82.44 107.09 14.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.22 0.534 . . . . 53.44 111.111 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.67 -1.9 29.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 72.21 110.41 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.92 37.61 94.07 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.724 -0.751 . . . . 70.33 111.457 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -127.67 86.8 57.51 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.96 -0.385 . . . . 63.55 109.96 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.489 ' HG3' ' HB2' ' A' ' 82' ' ' ALA . 4.0 Cg_exo -75.5 102.26 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.87 2.38 . . . . 74.24 111.959 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -146.14 150.81 36.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.839 0.352 . . . . 75.23 110.373 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.39 108.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.358 0.599 . . . . 72.15 110.0 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.06 91.32 1.44 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.944 -0.646 . . . . 50.45 112.28 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.404 HD12 HG21 ' A' ' 69' ' ' THR . 59.8 tp -72.96 110.7 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 73.11 109.93 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 104.57 13.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.942 -0.572 . . . . 73.34 109.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.12 136.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.001 -0.545 . . . . 72.23 110.053 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.69 146.42 36.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.341 -0.614 . . . . 72.14 109.341 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 61.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.642 0.734 . . . . 65.24 111.586 -175.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 4.2 ptpp? -130.06 -36.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 71.3 110.158 174.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' N ' ' HG3' ' A' ' 54' ' ' LYS . 23.9 p-10 -90.05 -35.54 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.681 -0.488 . . . . 73.31 109.681 177.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -117.35 89.18 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.759 -0.655 . . . . 75.1 109.657 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -108.34 74.97 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.207 0.527 . . . . 75.34 110.362 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.54 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.7 tpm_? -161.1 -149.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 65.14 109.032 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.478 ' H ' ' HG3' ' A' ' 58' ' ' ARG . . . -134.21 -47.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.509 0.559 . . . . 64.52 112.509 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -69.38 -30.58 68.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.378 0.609 . . . . 75.01 110.613 -172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 22.5 mp0 -71.74 -15.89 62.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.111 -0.95 . . . . 75.15 111.503 -174.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.91 -42.72 94.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.097 0.475 . . . . 72.53 110.592 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.75 -34.43 60.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 74.43 110.312 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.607 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 98.5 mtt180 -58.44 -51.49 69.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.702 -0.681 . . . . 72.01 111.449 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.48 -39.76 86.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.073 -0.512 . . . . 74.35 111.1 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 66.4 mttm -69.58 -36.35 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 74.35 111.69 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HE ' ' HB3' ' A' ' 67' ' ' ARG . 4.9 mtp180 -64.75 -47.12 79.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.748 -0.381 . . . . 73.43 111.304 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.3 -48.05 81.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.337 . . . . 74.53 110.651 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.404 HG21 HD12 ' A' ' 49' ' ' LEU . 6.1 p -62.32 -56.86 14.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 74.11 112.212 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 58.5 mtm180 -57.71 -43.03 84.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.785 0.326 . . . . 74.15 111.421 -177.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.65 -40.01 92.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 73.13 111.289 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.554 ' CB ' HD11 ' A' ' 105' ' ' LEU . 38.9 t -75.5 -36.76 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.986 -0.286 . . . . 72.45 110.649 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.467 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 77.9 t80 -62.75 -32.44 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.137 0.494 . . . . 70.24 110.248 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -75.3 -43.4 51.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.485 -0.779 . . . . 65.2 111.21 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.87 -32.0 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 71.41 111.524 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -93.49 7.94 42.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.096 0.474 . . . . 74.02 110.094 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 8.1 tp-100 -79.96 79.67 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 73.32 111.891 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 77' ' ' GLN . 8.9 t-80 167.08 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.376 -0.829 . . . . 72.13 109.132 174.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.45 -38.04 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.718 -0.674 . . . . 51.43 110.289 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.414 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 3.5 pp -104.37 158.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 64.34 109.967 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 80' ' ' LEU . 23.6 Cg_endo -61.81 127.33 21.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.558 2.172 . . . . 73.33 112.161 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB2' ' HG3' ' A' ' 45' ' ' PRO . . . -72.7 90.8 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 65.11 111.154 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 20.6 mmt -124.29 179.7 4.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 71.33 109.844 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.73 107.29 19.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.16 -0.681 . . . . 73.21 109.16 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.6 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 71.3 m-85 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.243 -0.435 . . . . 65.11 111.305 -174.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.689 HG11 ' HB2' ' A' ' 36' ' ' LEU . 3.5 p -94.78 123.44 46.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.572 . . . . 73.12 109.542 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.39 113.71 45.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.01 -0.541 . . . . 72.13 110.565 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.5 t -102.95 117.91 49.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.089 0.471 . . . . 62.3 110.429 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.491 ' HB3' HG12 ' A' ' 93' ' ' VAL . . . -80.63 136.48 36.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.695 . . . . 74.23 110.313 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.593 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.4 mmpt? -103.93 -171.82 2.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.222 -0.445 . . . . 75.51 110.366 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 58.1 pttt -73.12 143.42 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.428 -0.351 . . . . 74.24 110.911 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.38 4.18 71.23 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.785 -0.721 . . . . 74.22 113.24 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG12 ' HB3' ' A' ' 89' ' ' ALA . 11.4 p -82.44 -21.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 63.01 110.989 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.49 -25.28 31.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 54.35 111.063 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -124.13 104.38 8.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.099 -0.5 . . . . 73.12 110.003 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.44 168.08 20.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.985 -0.552 . . . . 52.24 110.805 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.681 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 24.7 m-20 -74.58 165.42 25.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.528 . . . . 75.31 110.246 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -64.01 -45.83 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.426 -0.352 . . . . 71.11 111.723 -173.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -85.7 -15.61 41.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 75.1 110.48 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.681 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . . . -65.77 -24.01 66.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 74.32 111.948 -174.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 102' ' ' SER . 4.2 pp -65.66 -33.59 76.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.839 0.352 . . . . 73.04 110.315 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.504 ' N ' HD12 ' A' ' 101' ' ' LEU . 8.7 t -78.87 -33.04 46.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.909 -0.774 . . . . 70.13 108.909 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.488 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 51.9 mt-10 -72.31 2.17 6.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.308 -0.86 . . . . 72.44 111.616 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.53 -38.17 3.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.294 0.569 . . . . 63.44 109.795 173.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.582 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 21.3 tp -68.31 -57.88 5.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.689 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.695 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 1.5 pt-20 -65.34 -16.07 63.2 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.844 0.313 . . . . 73.55 111.844 -173.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.695 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.2 mmmt -75.76 -43.8 44.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.915 -0.402 . . . . 74.31 109.915 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.5 pp -71.25 -19.87 62.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 75.15 110.124 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.533 ' O ' ' HB2' ' A' ' 113' ' ' CYS . 10.9 m0 -60.65 -32.13 71.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.372 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.422 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 7.5 mpt_? -91.28 -45.08 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.52 110.854 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -57.81 -40.36 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 64.42 110.802 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -87.28 -0.06 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 75.42 110.652 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.533 ' HB2' ' O ' ' A' ' 109' ' ' TRP . 34.8 t -92.31 -34.08 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.955 0.407 . . . . 72.33 110.024 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -70.22 -21.55 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 73.34 109.331 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.1 tp -95.31 9.99 37.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.759 . . . . 61.45 109.71 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.09 -47.01 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.664 . . . . 71.1 110.868 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.8 6.25 19.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 74.34 111.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.79 -177.08 48.04 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.659 -0.781 . . . . 74.4 112.205 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.825 -0.607 . . . . 74.4 110.566 179.789 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.394 0.14 . . . . 73.41 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 m -80.34 86.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.897 0.856 . . . . 72.12 110.825 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -153.56 142.94 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.168 -0.924 . . . . 73.43 109.022 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.548 HD22 ' HG ' ' A' ' 41' ' ' SER . 12.1 tp -69.57 -33.2 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.177 0.513 . . . . 63.42 110.044 -175.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.39 134.42 34.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.851 -0.613 . . . . 61.13 110.124 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -68.49 156.17 91.12 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 70.22 111.425 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.401 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 39.4 Cg_endo -66.99 166.2 23.66 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.668 2.245 . . . . 62.45 112.892 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 16.1 ptt180 -60.14 -30.57 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 75.14 111.669 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' OE1' ' HB2' ' A' ' 7' ' ' PRO . 11.4 mp0 -70.37 -7.22 41.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.817 -177.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 10' ' ' LEU . 1.7 tm? -69.74 -19.48 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 61.54 109.893 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 75.27 91.41 0.08 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.413 -0.812 . . . . 70.25 110.996 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -115.67 96.6 5.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.237 0.541 . . . . 70.13 110.216 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.04 148.05 23.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.969 -0.559 . . . . 72.43 109.735 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.428 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 61.5 p 52.72 89.46 0.1 OUTLIER Pre-proline 0 N--CA 1.465 0.318 0 O-C-N 123.952 0.782 . . . . 74.14 111.385 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 14' ' ' THR . 12.6 Cg_endo -56.59 98.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.125 2.55 . . . . 73.02 112.964 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -163.23 150.39 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.451 -0.795 . . . . 72.41 108.904 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.697 ' HG2' ' HB3' ' A' ' 84' ' ' ASP . 1.1 mp0 -62.11 -32.84 73.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.547 -0.297 . . . . 62.11 110.337 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -55.85 -55.47 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 70.1 110.803 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -66.48 -32.26 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 73.31 111.008 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.41 -50.44 52.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 75.25 111.161 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -77.73 -16.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 71.13 111.402 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -75.04 -21.85 58.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 74.34 110.995 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -60.4 -42.82 96.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 50.32 110.942 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.414 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 2.9 tm0? -155.12 86.79 3.35 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.629 -0.878 . . . . 72.31 108.629 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.514 ' HB2' HD21 ' A' ' 36' ' ' LEU . 2.3 Cg_endo -81.65 126.76 5.41 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.162 2.575 . . . . 72.03 113.316 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -78.35 122.03 25.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.605 -0.887 . . . . 73.11 108.605 171.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.434 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -98.49 127.87 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.21 0.529 . . . . 73.1 111.818 -173.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.427 ' HB1' HD21 ' A' ' 115' ' ' LEU . . . -140.96 162.41 35.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.634 -0.712 . . . . 72.44 109.625 172.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.95 167.35 27.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.279 -0.962 . . . . 64.35 113.234 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.546 HG23 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -61.26 149.72 81.88 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 123.338 0.655 . . . . 74.51 110.697 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.546 ' HD2' HG23 ' A' ' 30' ' ' THR . 50.4 Cg_exo -55.74 -17.57 18.4 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.79 2.327 . . . . 71.23 114.036 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.43 ' HA ' ' HB2' ' A' ' 90' ' ' LYS . 27.5 mp0 -94.41 -11.52 29.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 71.51 111.264 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.26 94.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.686 0.755 . . . . 75.14 109.689 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -97.26 108.89 21.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.731 -0.668 . . . . 60.23 111.437 -171.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.67 116.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.235 -0.654 . . . . 71.3 109.235 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' A' ' 25' ' ' PRO . 95.6 mt -117.32 143.21 46.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 61.24 110.107 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.719 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -173.07 -179.01 43.47 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.162 -1.018 . . . . 41.34 112.578 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.707 ' HG3' HD23 ' A' ' 39' ' ' LEU . 6.4 tpt180 -152.75 153.91 34.16 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.228 -0.656 . . . . 74.22 109.228 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.707 HD23 ' HG3' ' A' ' 38' ' ' ARG . 1.7 pt? -62.99 122.65 16.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.017 0.437 . . . . 75.34 110.506 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -145.41 140.01 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 73.03 110.444 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.548 ' HG ' HD22 ' A' ' 4' ' ' LEU . 8.9 m -98.78 103.1 15.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.064 -0.517 . . . . 74.24 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -149.31 -49.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.703 0.287 . . . . 51.43 110.344 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' HA2' ' HB2' ' A' ' 82' ' ' ALA . . . 93.73 40.27 4.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.297 -0.954 . . . . 73.22 110.901 -173.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.504 ' HB2' HD11 ' A' ' 42' ' ' LEU . 44.9 t60 -131.67 85.75 50.99 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.282 -0.459 . . . . 75.24 110.086 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -96.19 94.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.107 2.538 . . . . 51.41 112.243 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -110.29 -169.69 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.078 0.466 . . . . 73.24 110.573 177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 tt -121.45 88.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.765 0.793 . . . . 63.11 109.747 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.45 61.16 4.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 32.22 112.601 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.24 109.02 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.094 0.473 . . . . 72.11 110.374 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 m -100.26 98.69 9.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.929 -0.578 . . . . 71.45 110.312 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -103.26 93.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 74.51 111.425 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.429 ' HB1' ' OD1' ' A' ' 55' ' ' ASN . . . -70.32 134.93 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.98 -0.555 . . . . 70.43 110.363 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.45 ' HB3' ' HD3' ' A' ' 58' ' ' ARG . 56.6 pttt -78.45 7.73 6.19 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.256 0.465 . . . . 73.34 112.256 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -91.68 -24.7 19.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.213 0.53 . . . . 72.41 110.091 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 4.9 p-10 -116.99 -26.62 6.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 73.45 110.598 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.4 t -98.08 136.67 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.47 -0.937 . . . . 73.42 108.47 171.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.538 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 73.7 mtp180 -66.51 -14.44 62.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 74.2 111.263 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HD3' ' HB3' ' A' ' 53' ' ' LYS . 16.5 tpt180 74.13 25.06 1.85 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.669 -0.696 . . . . 61.15 111.552 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 -88.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.555 -0.458 . . . . 72.34 111.983 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -106.46 -20.64 13.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.391 0.615 . . . . 75.43 110.691 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.667 ' H ' ' CD ' ' A' ' 61' ' ' GLU . 3.8 mp0 -58.91 -45.95 89.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.02 -0.991 . . . . 65.11 110.441 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -20.26 65.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.684 -0.689 . . . . 74.43 110.887 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.589 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 56.0 t30 -70.46 -40.45 73.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.438 -0.346 . . . . 54.42 110.162 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 64' ' ' ARG . 17.9 ttm180 -70.83 -40.42 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.187 0.518 . . . . 73.32 109.889 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.7 mm -60.98 -42.8 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.71 . . . . 72.2 111.108 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.589 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 22.7 pttp -79.29 5.0 13.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.634 -0.257 . . . . 63.11 111.303 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -103.58 -42.46 5.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 75.24 110.533 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -65.3 -49.68 68.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.737 178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 64.1 110.824 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 29.1 ttt180 -48.04 -52.62 19.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.44 -0.8 . . . . 64.24 111.418 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.25 -48.43 70.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.961 -0.563 . . . . 72.12 110.88 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 p -69.25 -24.66 64.01 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.518 0.562 . . . . 73.35 112.518 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -96.15 -15.54 22.04 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.553 0.575 . . . . 75.25 112.553 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.68 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.4 mmp_? -104.88 -32.67 8.68 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.394 -0.522 . . . . 73.32 112.076 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -80.42 -12.18 59.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 74.33 110.9 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.639 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 82.8 mtm180 -115.53 82.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.286 -0.416 . . . . 75.23 109.986 175.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.457 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -93.75 10.11 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.52 -0.309 . . . . 71.23 111.645 -175.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -127.91 9.46 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.742 0.782 . . . . 74.23 109.202 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.639 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 19.8 tp10 -81.71 -27.6 33.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.149 -0.932 . . . . 72.12 110.049 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -136.15 154.85 77.65 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.626 -0.716 . . . . 73.03 109.794 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 16.5 Cg_exo -68.66 179.65 2.99 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.633 2.222 . . . . 75.21 111.74 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HB2' ' HA2' ' A' ' 43' ' ' GLY . . . -80.08 44.31 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.338 0.59 . . . . 45.23 111.188 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.589 ' SD ' ' HA ' ' A' ' 39' ' ' LEU . 56.0 mtt -108.08 166.16 10.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.454 -0.794 . . . . 75.41 109.525 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.697 ' HB3' ' HG2' ' A' ' 17' ' ' GLN . 22.5 t70 -111.48 126.92 55.47 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.787 -0.449 . . . . 73.02 109.787 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.719 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 97.2 m-85 -122.44 139.71 53.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 73.31 110.797 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.21 123.76 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.443 0.64 . . . . 74.44 110.118 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.97 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.776 -0.647 . . . . 73.22 109.726 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.7 t -88.49 116.22 29.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.921 -175.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -73.32 133.74 43.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.785 -0.643 . . . . 74.43 109.881 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 75.4 mmtt -111.83 177.77 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 73.24 111.19 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 55.1 tptt -66.14 115.0 5.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.772 -0.649 . . . . 65.12 110.777 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.89 -24.98 5.36 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.767 -0.73 . . . . 70.33 112.459 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' A' ' 89' ' ' ALA . 9.8 p -71.27 -20.57 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.043 0.449 . . . . 75.03 111.468 -175.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.02 3.1 47.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.141 0.496 . . . . 42.21 110.796 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.9 87.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 75.23 109.675 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.69 165.1 22.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.912 -0.585 . . . . 55.4 110.122 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.559 ' HB3' ' HB1' ' A' ' 100' ' ' ALA . 29.6 t70 -70.45 140.46 51.97 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.485 -0.561 . . . . 75.53 109.485 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.136 0.493 . . . . 61.04 111.096 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 1.4 ttp180 -86.1 -21.75 27.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 73.11 110.765 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' HB1' ' HB3' ' A' ' 97' ' ' ASP . . . -71.75 -5.19 32.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 74.21 112.615 -173.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 102' ' ' SER . 4.3 pp -68.22 -24.8 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 74.21 110.204 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.421 ' N ' HD12 ' A' ' 101' ' ' LEU . 16.2 m -72.78 -22.07 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.877 -0.601 . . . . 71.32 110.429 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.72 -46.5 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 64.43 109.758 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.65 74.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 73.14 110.748 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.1 -37.29 87.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 63.43 111.38 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.584 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -72.29 -31.21 65.52 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 120.707 -0.397 . . . . 75.51 110.225 -177.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.584 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -69.94 -37.48 75.87 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.844 -0.798 . . . . 75.11 108.844 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.639 ' HG ' HH22 ' A' ' 76' ' ' ARG . 44.5 tp -77.89 4.04 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.13 -0.941 . . . . 72.32 110.703 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -116.02 -63.11 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.989 -0.55 . . . . 71.23 109.995 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -64.15 -51.91 61.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 72.23 111.972 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -72.5 -22.93 60.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.003 0.43 . . . . 72.34 110.38 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.441 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 58.1 t-80 -77.83 -48.66 15.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 74.11 110.784 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 31.2 t -62.05 -37.94 86.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.192 0.52 . . . . 75.02 110.27 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -84.69 6.59 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.33 111.066 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.427 HD21 ' HB1' ' A' ' 28' ' ' ALA . 46.2 tp -95.01 -33.09 12.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 75.11 110.049 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.74 60.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 74.12 110.565 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -83.25 94.78 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.909 -0.587 . . . . 72.32 109.654 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 145.6 -1.23 0.96 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.671 -0.776 . . . . 54.5 112.617 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.748 -0.644 . . . . 64.32 110.138 177.104 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 111.554 0.205 . . . . 73.01 111.554 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.05 100.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.557 -0.535 . . . . 73.42 109.557 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -151.32 -73.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 75.33 109.966 -173.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -99.26 -33.12 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.716 -0.674 . . . . 73.24 109.492 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.81 154.11 17.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.593 -0.731 . . . . 65.21 109.939 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -117.98 128.62 25.88 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.298 -0.41 . . . . 74.53 111.02 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.8 161.26 18.81 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.132 2.555 . . . . 74.24 112.21 177.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -77.8 92.44 4.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.978 0.895 . . . . 64.42 110.226 178.085 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.18 -63.18 0.17 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.808 . . . . 75.43 110.463 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.98 -53.93 52.62 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.709 -0.849 . . . . 75.54 108.709 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' HA ' ' HD2' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -176.74 149.92 0.79 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.972 -1.013 . . . . 74.04 108.478 170.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.1 tp -91.82 99.72 12.54 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD22 HG22 ' A' ' 19' ' ' THR . 5.2 mp -71.49 135.38 47.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.564 -0.744 . . . . 74.32 110.411 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -70.76 146.03 92.89 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.753 -0.658 . . . . 70.31 111.397 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.09 96.56 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.927 2.418 . . . . 55.2 112.445 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -163.44 143.18 8.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.082 -1.081 . . . . 75.45 108.082 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.521 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 11.1 mm-40 -65.94 -31.9 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.577 0.227 . . . . 74.12 111.237 -175.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -66.23 -28.29 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.221 0.534 . . . . 74.31 110.38 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.6 HG22 HD22 ' A' ' 13' ' ' LEU . 1.4 m -93.8 -29.88 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 73.21 110.384 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -70.14 -35.79 74.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 75.12 110.745 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.802 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 10.6 p -76.63 -23.24 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 43.12 110.619 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -70.53 -21.12 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.252 0.548 . . . . 72.42 110.56 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.99 -62.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 74.33 111.722 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -159.79 89.26 1.91 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 73.24 110.114 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -97.75 148.98 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.367 2.711 . . . . 70.43 113.232 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' HB3' HD22 ' A' ' 115' ' ' LEU . 87.2 mm-40 -88.29 97.31 10.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.819 -0.808 . . . . 55.3 108.819 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.71 ' HE ' HG23 ' A' ' 34' ' ' THR . 2.6 tmt_? -82.52 116.62 22.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.692 -0.686 . . . . 70.44 110.642 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.43 129.44 31.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.711 -0.677 . . . . 70.14 109.774 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.65 -164.06 31.96 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.437 -0.887 . . . . 74.21 112.412 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.514 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 46.2 p -123.63 176.23 2.33 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.071 -0.344 . . . . 73.31 110.071 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.514 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_exo -62.94 -14.35 40.7 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.482 2.121 . . . . 52.33 112.398 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -87.64 -41.65 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 73.53 110.399 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.8 tt -143.18 127.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 71.21 110.951 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.71 HG23 ' HE ' ' A' ' 27' ' ' ARG . 52.1 m -117.33 121.48 41.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.011 0.434 . . . . 62.14 111.353 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.503 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 60.4 mt -104.45 118.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 60.53 110.134 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.634 ' HB2' HG11 ' A' ' 86' ' ' VAL . 89.2 mt -101.28 105.69 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.36 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.54 2.69 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.475 -0.869 . . . . 53.35 112.169 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.802 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 2.0 tmt_? -91.43 136.5 33.07 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.132 -0.692 . . . . 64.35 109.132 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.496 HD11 ' HG2' ' A' ' 83' ' ' MET . 3.3 mm? -66.35 87.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.394 -0.366 . . . . 73.3 110.191 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.761 ' HB3' ' HB2' ' A' ' 84' ' ' ASP . 36.5 t30 -125.44 115.94 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.228 -0.656 . . . . 75.0 109.228 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 t -80.39 86.08 5.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.315 0.579 . . . . 74.12 110.484 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.538 HD21 ' HD2' ' A' ' 46' ' ' ARG . 36.4 tp -94.93 -11.96 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.635 -0.711 . . . . 74.05 109.726 175.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.85 15.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.734 -0.666 . . . . 74.12 112.199 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -133.49 148.7 69.85 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.565 -0.531 . . . . 65.55 109.565 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -62.46 110.13 1.01 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.728 2.285 . . . . 75.21 111.689 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HD2' HD21 ' A' ' 42' ' ' LEU . 45.2 ttt180 -95.41 134.47 38.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.855 -0.611 . . . . 73.25 110.356 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 tt -121.59 127.52 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.223 0.535 . . . . 74.4 110.676 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.02 127.68 4.66 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.275 -0.73 . . . . 71.14 111.275 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 ' HG ' HG23 ' A' ' 51' ' ' VAL . 33.8 tp -100.54 121.41 41.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 117.223 0.512 . . . . 74.14 110.654 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -119.8 100.91 7.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.045 -0.525 . . . . 75.32 110.124 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.465 HG23 ' HG ' ' A' ' 49' ' ' LEU . 50.9 t -129.04 127.99 66.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 71.04 110.473 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.76 160.59 19.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.345 -0.389 . . . . 51.12 110.423 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -73.14 -11.15 60.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.335 0.588 . . . . 74.13 110.43 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.415 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 35.1 mmtp -81.19 -22.91 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 73.24 110.263 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.66 -55.58 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.707 -0.678 . . . . 63.41 109.63 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG13 ' HB2' ' A' ' 62' ' ' ARG . 61.9 t -109.52 109.73 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.373 -0.83 . . . . 61.02 109.509 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -73.57 2.1 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 71.1 111.854 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.1 mmp_? -123.96 175.05 7.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.912 0.387 . . . . 74.24 110.981 -175.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.69 -46.8 2.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.16 -0.473 . . . . 70.31 110.747 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -67.04 -45.83 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 71.53 110.191 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 19.3 mp0 -59.74 -35.9 75.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.581 -0.736 . . . . 74.35 110.318 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.535 ' HB2' HG13 ' A' ' 56' ' ' VAL . 2.6 ttp180 -70.1 -29.71 66.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 75.15 111.094 -178.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.29 -38.7 84.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.666 -0.243 . . . . 72.3 110.832 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -75.82 -17.96 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.657 -0.247 . . . . 73.44 111.16 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mm -63.89 -43.68 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 71.55 110.515 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HB3' HD21 ' A' ' 49' ' ' LEU . 23.5 pttm -78.79 -17.66 55.39 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.634 -0.426 . . . . 73.22 110.223 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.4 mmp_? -71.75 -41.13 68.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.208 0.528 . . . . 75.14 109.972 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.78 -36.61 82.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 64.13 110.414 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.1 p -86.87 -40.72 14.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.728 0.64 . . . . 72.14 112.728 -174.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -72.28 -36.47 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.786 -0.366 . . . . 73.15 111.03 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -15.64 59.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 71.3 111.683 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.42 ' HB3' HD11 ' A' ' 105' ' ' LEU . 19.3 p -95.26 -45.39 7.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.772 -0.371 . . . . 63.42 111.321 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.503 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 20.9 m-85 -59.83 -48.97 79.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.887 0.375 . . . . 72.31 111.193 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -86.94 23.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 74.25 111.509 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.85 -15.42 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.562 0.696 . . . . 71.21 109.513 172.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' HD3' ' OE1' ' A' ' 79' ' ' GLU . 12.8 tpp180 -118.99 26.9 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 72.04 109.893 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.59 9.46 2.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.746 -0.661 . . . . 72.31 112.014 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -95.28 -49.47 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.831 -0.433 . . . . 74.52 109.831 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 29.5 mp0 -84.12 2.22 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 73.13 110.524 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.0 tp -117.16 121.95 31.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.784 -0.644 . . . . 71.24 109.951 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.593 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 22.3 Cg_exo -65.92 168.24 15.87 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.039 2.493 . . . . 65.45 112.24 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.76 97.97 11.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.123 -0.489 . . . . 74.24 112.133 -173.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.593 ' SD ' ' HB2' ' A' ' 81' ' ' PRO . 4.3 mpp? -133.6 -174.0 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.493 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.761 ' HB2' ' HB3' ' A' ' 40' ' ' ASN . 3.8 t0 -103.71 118.16 36.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.942 -0.762 . . . . 74.51 108.942 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CZ ' ' HE1' ' A' ' 83' ' ' MET . 49.2 m-85 -117.48 109.07 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.003 0.43 . . . . 73.23 111.324 -174.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.634 HG11 ' HB2' ' A' ' 36' ' ' LEU . 4.8 p -95.84 115.68 35.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.668 0.746 . . . . 64.04 109.668 173.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 35' ' ' ILE . 44.8 t -98.12 119.38 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.516 -0.766 . . . . 65.32 110.318 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.74 103.95 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.897 -0.592 . . . . 73.31 110.232 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.504 ' HB3' HG12 ' A' ' 93' ' ' VAL . . . -74.29 132.89 42.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.436 -0.579 . . . . 61.33 109.436 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -94.48 -171.91 2.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.81 0.338 . . . . 70.42 110.713 -175.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' HE2' ' O ' ' A' ' 54' ' ' LYS . 39.2 ttmt -80.4 130.49 35.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.167 -0.469 . . . . 75.01 110.985 -174.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.56 -9.99 55.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.655 -0.783 . . . . 72.23 112.995 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.504 HG12 ' HB3' ' A' ' 89' ' ' ALA . 11.8 p -63.59 -24.03 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.94 0.4 . . . . 60.22 111.388 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 1.86 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 71.0 111.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -108.18 17.01 22.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 61.32 110.448 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.54 156.65 29.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 73.4 111.734 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.46 157.93 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.703 -0.68 . . . . 73.1 110.108 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.94 -26.44 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 64.1 110.87 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -90.57 -32.57 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 72.21 110.677 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.39 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.737 -0.665 . . . . 63.21 112.184 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 4.1 pp -64.2 -22.72 67.05 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.584 0.23 . . . . 75.42 111.491 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 t -94.2 -37.98 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 70.12 109.885 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 15.8 mm-40 -62.38 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.472 -0.785 . . . . 60.44 111.28 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.37 -21.66 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 75.03 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 101' ' ' LEU . 45.2 tp -65.6 -45.18 84.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.077 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.46 -29.29 68.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 61.5 110.873 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 32.2 mmmt -66.23 -42.4 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 74.44 110.129 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 99.1 mt -59.68 -52.53 65.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.699 . . . . 52.33 110.7 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -57.37 -54.41 47.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.963 0.411 . . . . 73.22 111.459 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -58.71 -47.14 85.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.409 -0.814 . . . . 75.14 111.747 -171.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -77.77 -37.33 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.77 -0.372 . . . . 73.42 111.357 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -67.95 -28.16 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.628 0.251 . . . . 73.21 110.57 -176.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.547 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 42.1 t -68.56 -49.11 61.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.277 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -58.56 -41.2 85.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.911 0.386 . . . . 74.21 110.903 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.443 HD22 ' HB3' ' A' ' 26' ' ' GLN . 50.4 tp -62.66 -31.82 72.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 74.1 110.863 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.99 -9.98 57.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 74.43 111.204 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 11.2 mmm180 -94.82 6.17 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 74.03 110.26 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 66.45 40.19 94.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.07 -0.586 . . . . 54.44 111.978 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.255 -0.879 . . . . 72.41 110.236 -178.685 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.805 0.336 . . . . 75.14 110.323 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.4 108.05 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.53 0.681 . . . . 73.15 110.069 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -94.74 72.05 3.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 74.3 110.226 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 56.91 73.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.199 -0.909 . . . . 74.41 111.599 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.1 103.18 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 65.2 110.152 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -99.87 154.4 37.27 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.921 -0.582 . . . . 75.42 110.351 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 18.8 Cg_exo -67.33 164.29 31.16 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.517 2.145 . . . . 71.12 111.922 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -60.02 -33.26 71.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 61.41 111.321 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.57 -34.64 76.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 72.31 111.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -90.53 -9.65 46.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.489 -0.323 . . . . 72.22 111.589 -173.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 59.7 mtt-85 -84.2 80.99 9.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 74.22 111.259 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 108.7 18.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.639 -0.71 . . . . 75.51 109.323 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.758 HD22 ' H ' ' A' ' 13' ' ' LEU . 1.5 pt? -82.32 94.39 7.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.532 0.682 . . . . 74.0 111.002 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 56.2 m -100.25 105.77 38.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.373 -0.831 . . . . 72.24 110.367 176.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.98 -26.42 83.15 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.571 2.181 . . . . 72.03 112.491 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -79.9 88.6 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.557 -0.535 . . . . 63.53 109.557 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -59.75 -37.06 77.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 71.32 112.067 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.03 -37.54 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.024 0.44 . . . . 75.43 110.73 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.0 -14.22 61.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 45.33 110.578 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 74.5 t80 -99.22 -49.68 4.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.436 . . . . 62.42 111.022 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.455 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 33.4 m -70.48 -23.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.051 0.389 . . . . 75.5 112.051 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -81.61 -9.78 59.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 74.23 111.138 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 78.5 mt-30 -64.25 -65.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 44.43 111.1 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.469 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 49.0 mt-30 -127.42 77.93 75.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.537 -0.301 . . . . 63.1 110.555 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.402 ' HB2' HD12 ' A' ' 36' ' ' LEU . 93.2 Cg_endo -96.27 165.58 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.184 2.589 . . . . 72.42 113.083 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -101.39 125.7 48.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 71.14 110.01 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -72.26 103.7 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.774 -0.648 . . . . 74.35 110.488 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.15 177.06 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.246 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.718 ' HA2' ' HG ' ' A' ' 108' ' ' LEU . . . 78.39 -131.22 10.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.599 -0.81 . . . . 70.3 111.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.569 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -132.65 169.53 13.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.29 -0.263 . . . . 74.31 110.29 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_endo -67.78 -6.55 17.12 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.258 1.972 . . . . 73.53 112.118 171.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -92.87 -52.17 4.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 75.14 109.624 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -124.01 103.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.746 -0.661 . . . . 75.45 109.474 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 m -97.41 130.11 44.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 75.52 111.23 -173.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.428 HD11 HD23 ' A' ' 108' ' ' LEU . 65.5 mt -107.69 122.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 74.15 109.971 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -110.54 117.47 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.006 -0.368 . . . . 54.54 110.006 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.666 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -128.57 143.18 14.22 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.075 -1.06 . . . . 74.11 112.831 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.604 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 3.2 mmp_? -132.52 -177.07 4.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.28 -0.267 . . . . 42.12 110.28 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.86 98.4 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 72.54 110.038 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.466 ' HB3' ' HA ' ' A' ' 83' ' ' MET . 24.6 t-20 -78.56 118.04 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.065 -0.516 . . . . 75.02 110.197 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -93.67 1.69 56.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.855 0.359 . . . . 70.35 111.41 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.87 -33.01 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 71.31 110.514 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.65 82.78 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.912 -0.661 . . . . 71.34 112.289 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -149.01 102.67 3.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.849 0.357 . . . . 73.44 110.066 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HD3' ' HB1' ' A' ' 82' ' ' ALA . 90.1 Cg_endo -84.87 158.58 11.83 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.703 2.269 . . . . 71.13 113.572 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -129.41 105.72 8.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.648 -0.871 . . . . 74.22 108.648 171.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -81.61 123.38 37.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.618 0.723 . . . . 65.44 110.576 -173.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.15 154.72 22.07 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.461 -0.791 . . . . 73.44 111.731 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 tp -105.79 117.15 33.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.844 0.354 . . . . 64.01 110.521 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -92.66 95.18 9.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.26 -0.427 . . . . 73.22 109.981 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' HB ' ' HB1' ' A' ' 89' ' ' ALA . 7.4 p -136.6 129.5 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.905 -0.589 . . . . 74.21 109.427 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.14 163.3 25.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.232 -0.285 . . . . 63.12 110.232 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -43.26 76.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 63.12 111.748 -172.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -103.22 16.33 26.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.182 0.438 . . . . 65.44 112.182 -172.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 10.0 m120 -79.87 -23.7 41.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 75.34 109.874 174.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.0 137.75 21.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 74.02 109.708 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.8 -38.62 46.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.277 0.56 . . . . 74.23 110.059 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.514 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.6 mmp_? -114.67 114.58 25.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.183 -0.673 . . . . 75.1 109.183 174.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.65 -58.27 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.661 0.985 . . . . 75.24 113.661 -168.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -65.26 -8.81 19.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.69 0.996 . . . . 72.14 113.69 -171.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -74.61 -6.57 49.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.701 0.63 . . . . 54.34 112.701 -175.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -27.0 64.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.115 -0.634 . . . . 72.15 109.551 176.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.58 -20.66 56.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 74.32 109.915 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -71.64 -52.01 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.635 -0.711 . . . . 73.03 109.435 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.5 -43.14 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.139 -0.937 . . . . 74.15 111.833 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -70.41 -29.21 65.76 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 64.5 111.385 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -76.44 -33.39 58.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 74.41 110.915 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.22 -45.0 78.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.275 0.56 . . . . 72.02 109.835 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.4 p -77.94 -56.99 4.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.74 -0.663 . . . . 72.23 112.43 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.459 ' HG2' HD12 ' A' ' 47' ' ' ILE . 42.4 mtp180 -65.74 -22.3 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.509 0.559 . . . . 73.14 112.509 -170.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -79.88 -44.51 20.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.971 0.415 . . . . 72.32 110.515 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.8 m -60.38 -34.23 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.748 -0.66 . . . . 64.53 111.997 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.409 ' CD1' HG13 ' A' ' 47' ' ' ILE . 21.7 m-85 -64.3 -23.84 67.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 72.2 111.81 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -106.4 14.67 27.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.366 0.603 . . . . 74.22 110.293 179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.49 -49.8 2.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.722 -0.672 . . . . 73.13 109.518 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -97.71 38.07 1.32 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.735 -0.666 . . . . 73.45 109.557 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -14.57 62.69 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.966 0.728 . . . . 65.42 112.966 -168.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -80.33 -27.83 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 74.44 110.794 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -87.0 -22.61 25.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.679 -0.691 . . . . 74.53 111.861 -168.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -116.99 152.6 48.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.698 -0.401 . . . . 63.04 110.606 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.16 151.04 60.67 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.612 2.208 . . . . 71.04 111.602 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' HB1' ' HD3' ' A' ' 45' ' ' PRO . . . -75.44 78.8 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 63.33 110.936 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.466 ' HA ' ' HB3' ' A' ' 40' ' ' ASN . 65.3 mtt -130.07 153.35 48.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 73.45 109.251 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.2 106.1 17.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.928 0.871 . . . . 74.21 110.805 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.666 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 80.5 m-85 -101.38 100.06 10.49 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.997 -1.002 . . . . 74.43 109.006 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.94 124.68 33.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.465 0.65 . . . . 71.0 110.494 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.1 t -94.38 120.93 44.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.62 -0.718 . . . . 75.33 110.07 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.6 t -113.12 119.95 61.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.431 . . . . 72.23 109.899 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.425 ' HB1' ' HB ' ' A' ' 51' ' ' VAL . . . -92.72 128.06 38.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.124 -0.489 . . . . 62.01 110.579 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.8 mmpt? -91.81 156.31 17.61 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.52 -0.548 . . . . 63.13 109.52 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 14.6 ptmm? -65.06 136.21 56.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 72.25 110.438 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.93 -9.56 40.06 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.617 -0.802 . . . . 72.3 112.257 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.2 -23.52 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.198 0.523 . . . . 64.01 110.812 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.77 9.74 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 61.31 111.357 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.98 13.2 33.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.737 0.779 . . . . 65.43 109.897 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.38 154.5 20.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 71.2 110.664 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.558 ' OD2' ' HB3' ' A' ' 99' ' ' ARG . 5.1 t70 -71.16 143.74 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 75.2 110.209 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.31 -41.01 88.04 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 71.0 111.063 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.558 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 20.7 ttp180 -66.48 -42.54 87.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.181 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -21.97 66.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 73.31 111.995 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.4 mt -60.61 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 73.21 110.651 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.0 t -69.42 -32.43 71.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 55.2 110.148 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.43 -21.38 61.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 51.43 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.02 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.489 . . . . 64.01 110.564 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.11 -45.71 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 70.41 109.989 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.552 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 3.1 pt-20 -61.93 -38.33 88.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 65.35 110.671 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.552 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 13.7 mmmm -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.372 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.718 ' HG ' ' HA2' ' A' ' 29' ' ' GLY . 11.0 mp -64.72 -40.01 94.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 74.43 110.552 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.45 -48.82 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.558 -0.292 . . . . 74.05 111.213 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -57.47 -43.81 84.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 73.15 110.374 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.54 -44.32 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.737 -0.665 . . . . 74.53 110.142 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -68.82 -39.75 79.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.475 -0.784 . . . . 73.54 111.672 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.57 -47.46 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.762 0.315 . . . . 65.05 110.84 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -61.45 -39.43 90.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.26 -0.427 . . . . 75.44 110.717 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.33 -36.34 81.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.815 -0.629 . . . . 54.42 110.737 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.0 62.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.396 . . . . 74.25 111.428 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -88.89 1.31 55.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.607 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.432 ' C ' ' HG ' ' A' ' 119' ' ' SER . . . -69.59 -68.53 1.61 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.109 -0.567 . . . . 64.14 112.241 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.432 ' HG ' ' C ' ' A' ' 118' ' ' GLY . 13.2 p . . . . . 0 C--O 1.252 1.185 0 C-N-CA 123.317 0.647 . . . . 53.4 111.684 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.703 0.287 . . . . 75.21 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 m -74.09 134.02 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.219 0.533 . . . . 73.41 110.54 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -92.16 115.76 28.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.554 -0.748 . . . . 74.25 109.166 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.419 HD22 ' HG ' ' A' ' 39' ' ' LEU . 16.7 tp -81.63 47.06 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.584 0.707 . . . . 71.4 110.525 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.98 142.14 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.857 -1.065 . . . . 72.33 109.053 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.78 119.09 51.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 123.237 0.336 . . . . 74.12 111.034 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -66.22 165.51 24.17 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.859 2.373 . . . . 72.51 112.565 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -68.62 93.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 70.51 109.969 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -160.11 -82.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 63.42 109.896 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.69 -31.07 24.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.32 0.581 . . . . 74.01 109.984 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -126.56 161.88 26.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.704 -0.68 . . . . 74.12 109.81 -177.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.3 pp -101.92 154.48 18.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 72.24 111.227 -178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.3 mt -99.03 111.21 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.083 0.468 . . . . 73.44 111.372 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p -126.16 129.42 24.23 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.77 -0.65 . . . . 74.21 109.79 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.48 34.81 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.141 2.56 . . . . 65.14 113.111 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -92.38 106.72 18.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.097 -0.335 . . . . 72.32 110.097 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.545 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 21.0 tt0 -52.3 -53.38 44.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.906 -0.588 . . . . 71.12 111.048 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -59.63 -39.67 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.392 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -73.43 -25.69 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.066 0.46 . . . . 54.44 110.972 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -85.82 -39.27 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 72.01 110.934 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG21 ' HB3' ' A' ' 25' ' ' PRO . 9.8 p -76.62 -27.12 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 61.52 110.917 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.29 -23.93 67.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 74.02 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -67.15 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.913 -0.585 . . . . 62.35 111.262 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -144.47 90.18 6.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.592 -0.276 . . . . 63.04 111.199 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HB3' HG21 ' A' ' 21' ' ' VAL . 59.7 Cg_endo -95.98 165.42 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.061 2.507 . . . . 72.14 111.913 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 4.1 pt20 -86.05 106.8 17.46 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.235 -0.654 . . . . 75.51 109.235 173.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -81.76 90.76 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.512 . . . . 71.03 109.774 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.498 ' HB2' ' HG3' ' A' ' 111' ' ' ARG . . . -130.08 106.64 8.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.822 -0.626 . . . . 71.24 110.094 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.0 -160.9 32.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.846 -0.902 . . . . 55.41 110.846 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.9 p -108.62 167.49 9.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.863 0.332 . . . . 71.24 110.171 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 14.7 Cg_exo -69.99 -9.81 26.91 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.636 2.224 . . . . 74.0 111.852 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -89.33 -48.8 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 73.05 109.726 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.63 102.91 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.686 0.755 . . . . 73.03 109.724 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -99.28 110.06 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.541 -0.754 . . . . 63.02 110.926 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.8 mt -92.48 109.62 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 75.15 110.292 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.93 107.17 16.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.367 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -121.26 150.38 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.43 -0.89 . . . . 71.13 112.491 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -144.07 130.59 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.035 0.445 . . . . 73.21 110.415 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.2 pt? -72.87 135.59 45.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 64.3 110.77 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -140.21 161.82 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.301 -0.629 . . . . 74.32 109.301 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -60.31 -29.84 69.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.727 0.269 . . . . 64.31 111.727 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.4 -65.01 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.737 -0.468 . . . . 74.31 109.737 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 83' ' ' MET . . . 59.73 54.58 36.39 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.574 -0.739 . . . . 43.15 113.205 174.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -125.13 83.49 60.55 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.007 -0.738 . . . . 74.2 109.007 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -41.59 95.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.724 3.616 . . . . 72.21 114.781 -166.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -94.1 86.27 4.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.169 -1.048 . . . . 75.54 108.169 172.274 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 tt -59.64 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.845 0.831 . . . . 64.54 111.434 -174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.07 74.71 1.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.491 -0.777 . . . . 62.22 112.488 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.52 HD21 ' HG2' ' A' ' 66' ' ' LYS . 66.9 tp -76.22 115.56 16.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.925 0.393 . . . . 74.13 110.052 177.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.079 -0.509 . . . . 71.02 110.484 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.45 139.23 32.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.887 -0.597 . . . . 63.45 110.162 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.68 -173.84 3.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.397 -0.365 . . . . 74.33 110.264 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -95.43 1.14 54.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.008 0.433 . . . . 74.1 110.854 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -91.49 -20.68 21.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.331 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.472 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.8 p-10 -110.18 -29.43 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.895 -0.593 . . . . 71.34 110.009 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.5 t -126.3 94.07 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.802 -0.635 . . . . 64.42 109.698 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -85.97 38.88 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.651 0.738 . . . . 75.22 109.614 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.648 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 21.9 mmt180 -137.75 134.04 34.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 72.2 111.007 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -50.77 16.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 70.14 111.548 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -49.87 51.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.369 0.604 . . . . 73.21 110.045 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.648 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 16.0 mp0 -59.03 -35.13 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.933 -1.03 . . . . 72.54 111.263 -175.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 62' ' ' ARG . 11.8 ttm180 -59.55 -45.73 90.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.221 0.534 . . . . 74.51 110.167 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -70.59 -32.3 69.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.612 -0.722 . . . . 75.33 111.184 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.406 ' NH2' ' HA ' ' A' ' 97' ' ' ASP . 25.8 mtm180 -60.87 -41.61 96.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.727 0.299 . . . . 72.41 110.259 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.9 mm -65.15 -43.12 95.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 74.31 110.383 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.52 ' HG2' HD21 ' A' ' 49' ' ' LEU . 58.7 mtpt -65.16 -40.55 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 72.11 110.887 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.25 -50.1 64.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 111.241 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' HG ' ' HB2' ' A' ' 101' ' ' LEU . 3.2 tm? -56.57 -48.8 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.083 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 p -68.91 -54.17 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.487 -0.324 . . . . 72.02 111.241 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -59.61 -31.69 69.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.518 . . . . 72.22 111.859 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -81.14 -21.95 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.8 0.333 . . . . 75.54 111.294 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 m -98.68 -44.68 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.009 0.374 . . . . 74.12 112.009 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -59.84 -37.34 78.98 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.872 0.368 . . . . 73.44 111.643 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -71.45 -32.54 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.004 0.43 . . . . 73.45 111.41 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.9 1.82 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.459 0.54 . . . . 71.12 112.459 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.451 HH21 ' CD ' ' A' ' 79' ' ' GLU . 23.7 mmm180 -114.15 21.75 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.512 -0.551 . . . . 74.01 109.512 176.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.736 ' HA ' HE21 ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.95 -21.18 64.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.174 -0.921 . . . . 73.42 112.171 -175.566 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.36 -45.31 32.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.847 0.356 . . . . 61.1 111.126 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.451 ' CD ' HH21 ' A' ' 76' ' ' ARG . 13.4 pt-20 -89.09 -33.97 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 64.11 110.885 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.41 HD12 ' HD2' ' A' ' 81' ' ' PRO . 46.3 tp -95.21 111.2 54.12 Favored Pre-proline 0 N--CA 1.448 -0.532 0 N-CA-C 109.011 -0.737 . . . . 52.24 109.011 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' HD2' HD12 ' A' ' 80' ' ' LEU . 10.0 Cg_endo -52.64 137.53 58.78 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.081 2.521 . . . . 75.23 112.412 -176.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.81 104.84 0.21 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.787 -0.642 . . . . 53.32 110.668 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.483 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 26.0 ptt? -147.89 168.62 21.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 72.23 109.431 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.545 ' HB3' ' HG3' ' A' ' 17' ' ' GLN . 3.3 m-20 -96.67 141.53 29.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.01 0.433 . . . . 64.13 110.527 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.06 148.41 26.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 72.52 111.64 -173.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.89 133.69 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 71.51 109.439 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 t -110.52 108.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.86 -0.422 . . . . 73.12 109.86 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.34 104.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.691 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.459 ' HB2' HG12 ' A' ' 93' ' ' VAL . . . -94.53 125.85 39.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.28 -0.637 . . . . 73.3 109.28 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 31' ' ' PRO . 85.7 mttt -101.98 -161.92 0.89 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.387 . . . . 70.13 111.635 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -78.85 113.28 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 75.44 110.84 -173.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 -10.68 8.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.621 -0.799 . . . . 72.23 112.791 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 89' ' ' ALA . 11.9 p -61.5 -22.69 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.087 0.47 . . . . 72.15 111.593 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.9 -6.47 49.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 63.31 111.463 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.81 -16.02 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 72.25 110.469 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.32 114.29 14.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 75.03 110.215 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.406 ' HA ' ' NH2' ' A' ' 64' ' ' ARG . 53.4 m-20 -97.13 -169.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.063 -0.517 . . . . 73.34 111.14 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -47.45 -46.4 26.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.661 0.785 . . . . 73.34 113.093 -172.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -84.95 -37.5 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 75.23 110.602 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.12 98.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.722 -0.672 . . . . 64.21 111.415 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.467 ' HB2' ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -67.69 -19.89 65.22 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.639 -0.255 . . . . 72.3 111.485 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.45 ' HG ' HD12 ' A' ' 101' ' ' LEU . 37.4 m -80.9 -42.93 20.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 72.22 110.289 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.98 -23.08 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.959 -0.564 . . . . 72.23 111.063 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.25 -30.28 30.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.382 . . . . 64.55 110.687 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.508 HD23 HD13 ' A' ' 108' ' ' LEU . 3.2 tm? -63.49 -47.83 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.761 -0.654 . . . . 72.44 110.298 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -26.36 66.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.507 -177.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -68.45 -60.12 2.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.187 0.517 . . . . 64.31 110.109 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.508 HD13 HD23 ' A' ' 105' ' ' LEU . 4.2 pp -67.95 -29.67 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 70.42 110.86 -176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -59.83 -60.52 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 72.12 110.51 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -68.3 -25.75 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.563 -0.289 . . . . 75.12 111.552 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.498 ' HG3' ' HB2' ' A' ' 28' ' ' ALA . 21.2 tpp180 -62.76 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 74.41 110.465 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -85.43 -34.7 21.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 64.42 110.685 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 39.3 t -62.82 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 71.54 110.989 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 114' ' ' ARG . 15.5 mmt180 -98.59 17.05 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 71.41 111.245 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 54.1 tp -117.81 -32.2 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.214 0.531 . . . . 71.31 110.128 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.21 -2.86 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 61.54 111.72 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -95.86 -1.65 49.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 70.2 110.423 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.39 70.43 0.52 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.08 -0.581 . . . . 71.4 111.795 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.76 -0.638 . . . . 74.23 110.587 -178.103 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.08 -0.341 . . . . 63.02 110.08 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.84 115.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.495 -0.321 . . . . 74.5 111.0 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -75.94 74.47 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 53.24 110.452 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tt -168.01 -69.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.263 -1.014 . . . . 72.34 108.263 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 179.12 94.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.519 -1.219 . . . . 33.11 108.563 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.46 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 27.9 p90 -84.06 115.38 59.76 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.23 0.538 . . . . 72.41 110.625 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.529 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 42.2 Cg_endo -68.57 -1.46 7.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.953 2.435 . . . . 63.34 112.503 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.65 -26.7 68.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 63.31 110.939 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.506 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 10.3 pt-20 -65.78 -25.7 67.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.961 0.41 . . . . 73.12 110.866 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.506 ' HG ' ' HG3' ' A' ' 9' ' ' GLU . 86.6 mt -108.8 9.2 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 55.54 110.132 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER 61.52 30.12 18.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.648 -0.705 . . . . 74.33 110.479 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 7' ' ' PRO . 87.2 mt -102.23 157.14 17.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 74.02 110.579 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 7.8 mp -117.02 -167.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 73.13 109.782 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -86.77 109.62 25.74 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-O 120.584 0.23 . . . . 60.34 110.451 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 13' ' ' LEU . 96.2 Cg_endo -84.23 -161.37 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.797 2.331 . . . . 75.4 111.627 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -66.09 116.72 7.49 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.848 -0.427 . . . . 74.24 109.848 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -56.01 -37.53 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 73.21 112.041 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.05 -45.46 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 71.43 110.371 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -69.63 -23.39 63.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.095 0.474 . . . . 64.35 110.618 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -78.17 -46.24 21.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.605 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' A' ' 38' ' ' ARG . 31.4 m -75.18 -24.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 72.53 111.286 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -73.78 -15.53 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.429 -0.35 . . . . 74.01 110.986 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.62 -54.45 46.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 74.31 110.206 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -163.13 96.13 1.08 Allowed Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.825 -0.625 . . . . 74.11 109.609 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.449 ' HG2' HD22 ' A' ' 36' ' ' LEU . 87.8 Cg_endo -94.71 178.42 0.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.339 2.692 . . . . 64.13 112.556 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -91.95 98.52 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.983 -0.553 . . . . 62.53 109.591 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.48 102.71 4.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.689 -0.486 . . . . 73.43 109.689 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.64 110.3 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.474 -0.33 . . . . 52.33 110.786 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.05 -170.43 30.77 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.233 -0.747 . . . . 72.13 111.233 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.501 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 44.5 p -92.96 171.58 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 117.151 0.475 . . . . 42.22 110.245 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 47.0 Cg_exo -57.95 -45.11 34.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.585 2.19 . . . . 71.4 112.564 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -60.26 -48.51 81.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.468 -0.333 . . . . 70.01 111.297 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tt -114.13 98.68 7.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.895 0.855 . . . . 74.12 110.457 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -98.53 97.47 8.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 72.25 111.017 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.8 mp -83.36 116.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.762 -0.458 . . . . 70.05 109.762 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD22 ' HG2' ' A' ' 25' ' ' PRO . 90.4 mt -114.65 133.6 55.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.297 -0.41 . . . . 72.33 110.59 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.18 145.59 12.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.856 -0.688 . . . . 61.54 111.81 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HB3' HG12 ' A' ' 21' ' ' VAL . 35.8 ttt85 -142.09 139.6 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.599 -0.519 . . . . 74.33 109.599 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.56 111.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.033 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -142.95 168.43 19.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.35 -0.841 . . . . 74.32 109.044 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -70.9 84.97 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 75.43 110.156 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.434 HD11 ' HG3' ' A' ' 83' ' ' MET . 82.3 mt -122.08 -65.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.958 -0.564 . . . . 71.3 109.845 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.15 30.12 74.84 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.941 -0.572 . . . . 63.2 113.178 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 38.3 m80 -134.36 121.37 15.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.949 -0.389 . . . . 75.32 109.949 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 6.8 Cg_exo -72.48 97.44 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.789 2.326 . . . . 55.15 111.381 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -146.09 133.26 20.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.071 -0.513 . . . . 72.45 110.417 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 tt -84.99 117.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.268 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.69 54.26 4.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.06 -0.59 . . . . 72.41 111.912 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.542 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 63.5 tp -62.28 112.95 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.995 0.426 . . . . 43.25 110.68 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -108.81 91.31 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.348 0.594 . . . . 73.13 110.293 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.432 ' HA ' ' ND2' ' A' ' 55' ' ' ASN . 3.1 p -111.08 102.46 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 74.42 110.074 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 174.23 7.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 61.03 111.403 -175.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -57.25 -28.45 62.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.567 -0.742 . . . . 75.12 111.951 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -94.24 2.59 55.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 64.52 111.543 -175.325 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 3.8 m-20 -84.85 -48.23 9.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.297 0.57 . . . . 74.43 109.627 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' HB3' ' A' ' 62' ' ' ARG . 38.8 t -132.47 116.82 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.526 -0.761 . . . . 75.32 109.679 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.99 -35.74 81.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 73.31 110.557 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.09 113.31 9.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.508 . . . . 70.32 109.933 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -63.87 -32.86 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.041 0.448 . . . . 62.24 111.228 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -66.87 -37.46 84.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.156 0.503 . . . . 74.51 110.601 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.51 -18.66 32.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 75.43 112.015 -172.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.521 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 5.8 ptp180 -73.47 -13.97 61.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.275 0.56 . . . . 75.4 109.733 175.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.79 -27.44 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 60.22 109.366 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -59.15 -43.93 92.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.324 -0.853 . . . . 75.52 110.813 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.91 -33.76 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 115.943 -0.571 . . . . 62.54 110.837 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 59.8 mttp -66.89 -45.72 77.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.017 -0.538 . . . . 74.22 110.748 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -70.04 -19.68 63.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 74.33 111.374 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' ' 101' ' ' LEU . 3.0 tm? -85.13 -58.51 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 73.34 110.541 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -67.63 -31.3 71.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.454 . . . . 74.01 112.021 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -71.83 -18.16 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.994 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.57 -37.34 79.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 74.12 110.937 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.427 ' OG ' HD11 ' A' ' 105' ' ' LEU . 4.3 m -79.0 -58.88 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.59 . . . . 64.12 111.895 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -62.36 -27.58 69.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.24 0.459 . . . . 73.14 112.24 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -76.56 -25.83 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.371 . . . . 74.21 111.285 -178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 75' ' ' LEU . 2.0 tm? -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 64.32 110.331 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -95.67 44.53 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.337 0.589 . . . . 74.11 110.002 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -4.79 56.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.878 0.696 . . . . 71.0 112.878 -168.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -110.2 -18.02 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.594 0.59 . . . . 74.32 112.594 -177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HA ' HH21 ' A' ' 117' ' ' ARG . 41.9 tt0 -72.7 -44.73 61.38 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.653 -0.419 . . . . 74.24 110.073 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.2 pp -92.68 154.86 42.28 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 62.3 110.376 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.68 147.61 76.21 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.801 2.334 . . . . 70.03 112.397 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.05 95.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 70.41 111.054 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.434 ' HG3' HD11 ' A' ' 42' ' ' LEU . 41.4 ttm -147.2 154.88 41.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 71.01 109.843 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.48 92.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.866 -0.42 . . . . 72.11 109.866 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -74.97 94.71 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.619 -0.511 . . . . 73.45 109.619 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -72.19 101.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.261 0.553 . . . . 74.13 110.452 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.542 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 58.0 t -86.86 98.0 6.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.663 -0.699 . . . . 73.53 110.1 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.1 t -88.27 102.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.754 -0.657 . . . . 73.21 109.807 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' HB3' HD21 ' A' ' 55' ' ' ASN . . . -84.36 149.34 26.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.836 -0.62 . . . . 74.23 110.375 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -109.53 174.79 5.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.589 -0.523 . . . . 63.14 109.589 175.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -76.35 104.54 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 63.42 108.994 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.75 -5.1 1.09 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.673 -0.775 . . . . 64.01 112.308 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 89' ' ' ALA . 17.3 m -66.08 -19.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 74.44 111.482 177.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.9 3.7 55.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 75.3 110.781 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.11 -16.96 33.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 74.3 110.092 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.01 139.13 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 75.53 111.045 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.58 161.43 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.757 -0.656 . . . . 73.25 110.718 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.08 -43.11 77.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.315 -0.402 . . . . 71.34 111.745 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -82.41 -23.43 34.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 75.33 110.714 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.44 71.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.914 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.563 HD11 ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -72.25 -29.42 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.538 -0.301 . . . . 72.35 111.201 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.478 ' N ' HD12 ' A' ' 101' ' ' LEU . 74.5 p -75.63 -25.91 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 74.21 110.15 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -69.6 -52.54 25.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.869 -0.605 . . . . 75.35 109.563 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -59.17 -30.71 68.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.877 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 7.2 tt -54.57 -52.5 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.426 -0.806 . . . . 65.42 110.912 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.537 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.1 OUTLIER -69.08 -26.6 65.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.702 -0.399 . . . . 45.22 111.037 -176.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.537 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.7 mmmt -66.41 -43.35 86.02 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.864 -0.421 . . . . 63.52 109.864 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -78.24 -29.68 48.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 70.31 110.525 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -62.26 -56.62 16.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.265 . . . . 74.12 110.539 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.3 -30.96 70.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.075 0.464 . . . . 72.32 110.579 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -66.08 -43.83 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.818 -0.628 . . . . 74.05 110.326 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.78 -40.8 83.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.482 -0.326 . . . . 74.0 110.798 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.7 -48.92 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.469 0.481 . . . . 65.2 111.395 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.52 -36.28 71.0 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.522 -0.308 . . . . 75.32 111.263 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.12 -47.7 34.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 -0.274 . . . . 72.42 110.717 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.27 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.171 0.51 . . . . 63.13 111.069 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.44 HH21 ' HA ' ' A' ' 79' ' ' GLU . 77.4 mtt180 -95.65 83.93 3.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.503 0.668 . . . . 65.33 109.491 176.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.45 -24.12 0.51 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.031 -0.986 . . . . 70.32 110.904 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.632 -0.699 . . . . 75.14 110.151 175.785 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtm . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.565 0.222 . . . . 72.4 110.435 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.11 95.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.334 0.588 . . . . 71.14 110.295 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.687 ' HE3' ' HA ' ' A' ' 3' ' ' LYS . 1.2 tpmt? -162.22 128.38 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 72.0 110.682 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 HD12 ' HG ' ' A' ' 39' ' ' LEU . 27.3 tp 76.38 -57.85 0.54 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.952 0.783 . . . . 72.25 111.617 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.03 149.04 26.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.014 0.435 . . . . 74.3 110.947 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.443 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 99.0 m-85 -97.9 165.46 15.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.744 -0.662 . . . . 74.32 109.752 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.443 ' HD2' ' HB3' ' A' ' 6' ' ' PHE . 87.9 Cg_exo -48.16 144.12 13.21 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.746 2.297 . . . . 74.12 113.06 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.779 ' HB3' HD12 ' A' ' 13' ' ' LEU . 62.1 mtt85 -79.15 7.49 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 64.43 110.715 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.44 -18.35 23.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.719 -0.673 . . . . 63.44 110.304 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.98 -61.25 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 60.11 109.874 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -90.24 127.66 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 71.11 110.661 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.45 141.14 58.88 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.227 -0.442 . . . . 70.32 110.17 175.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.779 HD12 ' HB3' ' A' ' 8' ' ' ARG . 6.9 mp -79.02 86.63 4.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.335 0.588 . . . . 75.45 109.936 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -133.93 143.07 45.88 Favored Pre-proline 0 C--O 1.241 0.633 0 CA-C-N 115.472 -0.786 . . . . 71.31 110.148 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.63 86.8 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.65 2.234 . . . . 70.01 112.166 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -147.54 121.57 9.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.617 -0.719 . . . . 72.43 109.945 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 21' ' ' VAL . 79.5 mt-30 -66.28 -47.84 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.692 0.62 . . . . 64.11 111.026 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.63 -43.92 76.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 64.14 110.856 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.09 12.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 74.41 111.763 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.468 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 52.3 t80 -130.36 -47.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.079 -0.388 . . . . 63.41 111.09 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 17' ' ' GLN . 36.0 m -79.95 -23.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.674 0.273 . . . . 74.21 111.617 -177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -79.14 -7.43 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 73.42 110.667 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.468 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 73.9 mt-30 -60.77 -44.53 96.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 54.44 109.91 175.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.85 81.52 14.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 73.34 109.446 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.495 ' HB2' HD22 ' A' ' 36' ' ' LEU . 52.0 Cg_endo -88.9 110.55 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.656 2.237 . . . . 65.22 112.439 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 140.87 41.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.015 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -79.54 97.57 6.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 74.12 111.201 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.81 145.44 48.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 74.51 110.595 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.14 169.74 43.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.944 -0.645 . . . . 73.35 112.691 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.487 HG21 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -60.43 141.75 91.24 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.527 0.331 . . . . 74.11 110.331 178.315 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.487 ' HD2' HG21 ' A' ' 30' ' ' THR . 51.0 Cg_exo -54.73 -31.6 72.31 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.789 2.326 . . . . 54.24 112.839 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -66.85 -20.26 65.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 72.14 111.381 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 tt -140.63 93.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.995 0.903 . . . . 74.42 109.436 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 m -86.43 102.22 13.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.534 -0.757 . . . . 73.34 111.588 -171.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.506 HG13 HG12 ' A' ' 87' ' ' VAL . 4.5 mp -79.7 101.55 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.373 -0.602 . . . . 75.43 109.373 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.723 ' HB2' HG11 ' A' ' 86' ' ' VAL . 98.7 mt -82.17 102.85 11.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.383 -0.599 . . . . 74.52 109.383 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.22 144.69 15.8 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.488 -0.863 . . . . 54.4 112.893 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -150.55 138.9 20.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.926 -0.768 . . . . 75.44 108.926 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.7 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.6 pt? -61.9 130.25 44.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.883 0.373 . . . . 75.25 110.111 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -134.32 -174.42 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 55.13 110.345 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -107.6 15.08 25.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.89 0.376 . . . . 74.13 110.946 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.26 -59.64 2.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 73.43 110.054 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.93 61.91 5.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.211 -0.519 . . . . 74.11 113.149 174.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.519 ' O ' ' HB3' ' A' ' 84' ' ' ASP . 33.7 m80 -137.11 140.78 32.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 122.672 -0.31 . . . . 74.45 110.589 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 10.8 Cg_exo -72.9 40.59 0.5 Allowed 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 123.177 2.585 . . . . 73.13 112.91 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -90.9 86.66 6.36 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.576 -0.527 . . . . 65.24 109.576 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.544 HD12 ' HB ' ' A' ' 69' ' ' THR . 4.2 tt -71.85 116.71 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.383 -0.826 . . . . 74.44 111.098 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.69 109.99 3.73 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.677 -0.773 . . . . 75.15 112.044 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.421 ' HG ' HG23 ' A' ' 51' ' ' VAL . 58.1 tp -99.96 130.86 46.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.833 0.349 . . . . 71.42 110.578 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.8 m -110.52 106.92 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 62.51 110.898 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG23 ' HG ' ' A' ' 49' ' ' LEU . 95.6 t -133.45 124.79 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.481 -0.563 . . . . 70.31 109.481 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' H ' ' HB2' ' A' ' 55' ' ' ASN . . . -131.89 -170.97 2.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.639 -0.255 . . . . 72.14 111.346 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -55.24 -49.77 71.17 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.922 0.764 . . . . 73.23 112.278 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -84.55 -5.86 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.898 -0.321 . . . . 51.23 111.22 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.482 ' HB2' ' H ' ' A' ' 52' ' ' ALA . 1.6 m-20 -84.95 -57.55 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.294 -0.632 . . . . 53.12 109.294 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.694 ' HB ' ' HG2' ' A' ' 62' ' ' ARG . 42.6 t -133.88 116.99 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.923 -0.769 . . . . 74.12 108.923 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' HD2' ' O ' ' A' ' 57' ' ' ARG . 1.9 tmm_? -82.49 -25.67 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.255 -0.429 . . . . 75.41 111.908 -169.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.1 136.66 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.393 . . . . 72.31 111.052 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.06 89.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.715 -0.675 . . . . 75.53 112.736 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -60.3 -35.18 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 74.4 111.217 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.547 ' O ' HG12 ' A' ' 65' ' ' ILE . 10.6 mm-40 -76.36 -26.21 55.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.904 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.694 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 20.5 mtm180 -65.69 -38.66 89.87 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.141 -0.688 . . . . 72.12 109.141 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.4 -30.84 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.281 -0.872 . . . . 73.23 110.48 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -66.68 -36.07 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.42 109.908 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.3 mm -67.4 -31.82 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.262 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -67.1 -12.46 60.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 71.32 111.041 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 60.9 mtp180 -96.12 -46.22 6.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.347 . . . . 71.22 110.461 175.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.56 -44.71 13.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.65 0.594 . . . . 62.41 110.917 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.544 ' HB ' HD12 ' A' ' 47' ' ' ILE . 18.8 p -85.33 -58.18 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.958 -0.564 . . . . 72.15 111.934 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -62.66 -26.84 68.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 74.03 112.583 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.556 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 2.1 tp10 -74.4 -37.63 63.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 73.24 110.284 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 p -91.78 -45.63 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.338 0.495 . . . . 61.3 112.338 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -57.78 -36.54 72.31 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 17.8 ptt-85 -82.0 -23.26 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.795 -0.362 . . . . 73.43 111.034 -177.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.59 4.34 53.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.333 0.587 . . . . 74.12 110.848 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.498 ' HD3' ' CD1' ' A' ' 109' ' ' TRP . 94.2 mtt180 -126.4 26.59 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.985 -0.552 . . . . 60.34 109.971 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -59.49 -26.51 65.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.35 0.87 . . . . 71.24 113.35 -172.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -91.48 1.02 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.23 0.538 . . . . 75.13 110.911 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.479 ' HG2' ' HZ2' ' A' ' 109' ' ' TRP . 7.4 tp10 -132.31 27.72 4.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.515 -0.92 . . . . 71.44 108.515 176.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.42 124.81 15.13 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.806 -1.088 . . . . 65.14 109.923 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.19 121.36 9.87 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.101 1.867 . . . . 72.45 110.727 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.41 83.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 73.54 111.296 -177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.55 ' HE3' ' HA ' ' A' ' 83' ' ' MET . 1.6 mmt -140.76 150.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.654 -0.869 . . . . 74.43 108.654 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.519 ' HB3' ' O ' ' A' ' 44' ' ' HIS . 5.4 p-10 -93.54 134.06 36.2 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.951 0.405 . . . . 74.42 110.333 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 83' ' ' MET . 30.3 m-85 -126.98 163.9 22.67 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.942 -0.572 . . . . 73.11 110.918 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.723 HG11 ' HB2' ' A' ' 36' ' ' LEU . 6.0 p -114.42 112.56 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.543 0.687 . . . . 74.4 109.564 173.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 35' ' ' ILE . 40.6 t -96.8 112.62 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.825 -175.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.5 t -100.57 103.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.999 0.428 . . . . 74.23 110.345 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 125.32 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 73.41 109.781 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -100.19 169.22 9.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.79 0.329 . . . . 65.0 110.579 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.37 110.76 4.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.381 0.61 . . . . 74.22 109.779 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.52 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 149.66 -43.75 0.75 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.765 -0.934 . . . . 45.22 110.765 -176.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.5 p -66.75 -21.56 28.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.515 0.674 . . . . 62.11 110.31 178.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -17.95 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.67 -0.696 . . . . 62.43 110.728 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.37 75.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.619 . . . . 74.31 110.291 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 85.5 mt -142.23 158.73 43.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 71.55 109.647 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.9 149.72 46.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 75.2 110.346 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -61.25 -32.6 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.713 0.768 . . . . 73.33 109.161 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -63.6 -36.21 83.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.614 -1.175 . . . . 73.14 110.417 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.21 52.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 72.13 111.1 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.418 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 91.0 mt -60.37 -38.2 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 74.22 110.045 176.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 t -64.97 -37.15 86.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.84 -0.618 . . . . 72.21 110.328 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 26.1 mm-40 -66.78 -45.77 77.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 71.3 110.609 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.13 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.942 -0.572 . . . . 73.24 111.748 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 101' ' ' LEU . 93.8 mt -59.02 -38.98 80.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.16 -0.473 . . . . 72.12 112.098 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.44 -26.28 23.35 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.755 -0.378 . . . . 73.51 111.653 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 31.1 mmmt -61.89 -40.5 95.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 74.23 110.884 -176.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -84.37 5.51 26.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 75.31 111.351 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.498 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 28.0 t90 -114.44 -47.02 2.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.248 -0.433 . . . . 74.21 111.272 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -57.71 -56.7 18.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.76 0.314 . . . . 72.12 110.481 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -59.56 -27.95 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 71.32 110.715 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -70.2 -55.22 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.438 . . . . 73.52 111.107 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.18 -40.18 62.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 71.45 110.724 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -60.66 -39.73 89.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.473 -0.33 . . . . 75.23 110.886 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.9 -42.49 90.13 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.771 0.32 . . . . 62.12 110.198 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 24.24 111.338 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -80.48 -35.37 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 73.21 111.468 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 155.99 108.6 0.29 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.236 -0.983 . . . . 60.34 113.04 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 C--O 1.248 1.001 0 N-CA-C 109.181 -0.674 . . . . 63.42 109.181 174.317 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.271 -0.27 . . . . 74.45 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.92 126.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.497 . . . . 73.05 110.555 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.576 ' HG3' ' H ' ' A' ' 4' ' ' LEU . 11.4 tppt? -160.35 -179.46 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.274 -0.639 . . . . 64.44 109.274 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.576 ' H ' ' HG3' ' A' ' 3' ' ' LYS . 1.3 tm? -79.97 118.46 21.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.811 -0.44 . . . . 71.42 109.811 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.21 126.74 38.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 75.31 110.221 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -148.97 152.67 37.16 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 75.41 110.86 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.0 143.79 81.52 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.782 2.322 . . . . 60.14 111.48 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.3 mmt-85 -74.52 -13.08 60.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.612 -0.267 . . . . 75.23 111.58 -173.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -80.54 11.02 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 61.42 110.962 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.553 ' O ' HD12 ' A' ' 10' ' ' LEU . 1.1 tm? -64.84 -15.28 61.63 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.387 0.613 . . . . 64.43 109.785 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -61.63 -24.81 66.96 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.667 -0.697 . . . . 72.3 110.874 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -99.14 103.48 15.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.611 -0.515 . . . . 73.15 109.611 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.01 110.95 21.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 75.34 110.251 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.1 p -87.63 135.11 34.48 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.396 -0.365 . . . . 71.41 110.834 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.6 Cg_exo -58.26 -38.86 89.07 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.758 2.305 . . . . 65.03 111.851 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -81.15 101.47 9.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 65.22 109.779 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.98 -20.58 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 75.31 111.385 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.35 -33.3 70.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 70.04 110.282 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -91.48 -26.37 18.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.255 0.55 . . . . 71.32 110.28 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -20.1 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 73.24 110.885 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.509 HG13 ' NE ' ' A' ' 38' ' ' ARG . 30.7 m -95.04 -7.85 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 74.53 110.893 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -85.43 9.3 16.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 72.25 111.406 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.495 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 12.8 mm-40 -75.98 -54.59 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 65.43 110.463 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -156.46 88.8 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.16 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -86.77 131.14 3.24 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.936 2.424 . . . . 73.41 111.757 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 13.5 pt20 -82.53 128.57 34.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 72.33 110.158 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.2 106.24 3.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.622 -0.717 . . . . 72.12 110.659 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.19 66.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 65.43 111.001 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.15 -159.7 9.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.919 -0.658 . . . . 33.41 112.077 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.1 p -120.68 166.81 14.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 110.11 -0.33 . . . . 74.32 110.11 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.2 -22.64 53.55 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.568 2.179 . . . . 74.12 112.204 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -86.64 -38.61 16.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 71.01 110.313 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 tt -148.14 118.24 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.338 0.589 . . . . 73.05 109.954 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -106.26 119.47 39.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 75.41 111.53 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG13 HG13 ' A' ' 87' ' ' VAL . 4.1 mp -95.02 104.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.571 -0.529 . . . . 53.3 109.571 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' HB2' HG21 ' A' ' 86' ' ' VAL . 97.0 mt -92.65 132.05 37.22 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.705 -0.479 . . . . 74.03 109.705 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.497 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.53 161.11 22.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.009 -1.091 . . . . 73.43 112.483 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.509 ' NE ' HG13 ' A' ' 21' ' ' VAL . 23.1 ptt180 -129.44 151.58 49.92 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.846 -0.427 . . . . 72.13 109.846 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.427 ' HB3' HD23 ' A' ' 4' ' ' LEU . 3.3 mm? -74.57 100.93 4.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 71.44 110.588 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -133.18 86.05 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.148 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 m -83.68 36.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 73.22 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.25 7.23 40.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 62.14 110.29 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.82 55.39 11.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.25 -0.5 . . . . 75.31 113.022 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -120.16 90.85 45.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 122.62 -0.341 . . . . 75.45 110.732 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.28 96.44 0.47 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.655 2.236 . . . . 70.31 111.877 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.564 ' HB3' ' HA ' ' A' ' 84' ' ' ASP . 10.9 tpp180 -115.33 112.66 22.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.131 -0.486 . . . . 72.51 110.885 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' HG21 ' A' ' 47' ' ' ILE . 10.6 tt -93.6 80.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 122.096 0.951 . . . . 71.14 108.775 171.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.89 70.35 3.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.288 -0.869 . . . . 74.03 112.316 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HG ' HG23 ' A' ' 51' ' ' VAL . 32.3 tp -65.31 119.72 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.954 0.407 . . . . 74.53 110.232 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -109.83 84.43 1.92 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.276 0.56 . . . . 72.25 110.216 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.631 HG23 ' HG ' ' A' ' 49' ' ' LEU . 86.6 t -113.62 91.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.311 0.577 . . . . 73.41 109.821 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.14 140.41 47.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.568 -0.742 . . . . 64.13 110.026 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -73.85 55.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.846 0.831 . . . . 54.34 111.647 -179.752 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -150.46 -26.95 0.23 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.829 -1.078 . . . . 73.43 109.726 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.464 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -85.14 -30.76 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.799 -0.637 . . . . 74.3 109.693 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -100.02 111.34 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 73.41 108.981 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.98 -42.75 69.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 75.33 111.716 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.607 ' HB3' ' HG2' ' A' ' 61' ' ' GLU . 2.3 tpm_? -94.91 116.04 28.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.244 -0.651 . . . . 75.31 109.244 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -57.81 -40.46 80.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.098 0.777 . . . . 74.51 113.098 -170.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.49 -16.15 63.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.914 0.339 . . . . 75.42 111.914 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.607 ' HG2' ' HB3' ' A' ' 58' ' ' ARG . 12.1 mm-40 -83.01 -17.18 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.915 0.339 . . . . 72.22 111.915 -171.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 27.0 ptt180 -69.91 -14.57 62.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.79 0.329 . . . . 71.41 111.728 -175.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -67.23 -27.55 67.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.408 -0.36 . . . . 75.2 111.782 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 3.9 mpt_? -76.91 -26.55 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 74.32 110.756 -176.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.66 -43.0 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.581 . . . . 71.21 110.67 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.626 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 42.9 pttt -73.57 -30.64 63.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 60.43 110.758 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -69.11 -48.02 63.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 65.01 110.709 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.64 -48.38 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 74.33 110.12 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 p -69.17 -38.41 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.086 -0.506 . . . . 74.14 111.328 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.626 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.9 -52.95 62.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 72.34 110.622 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.04 -32.13 72.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.495 -0.321 . . . . 75.5 111.081 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -71.71 -38.04 70.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 74.11 110.627 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -59.77 -41.99 92.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.108 0.48 . . . . 71.35 110.421 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 5.2 ptm180 -88.33 9.81 21.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 75.35 111.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.7 tp -100.35 -29.83 12.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.741 0.305 . . . . 73.52 111.06 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.615 ' NH2' ' HA ' ' A' ' 113' ' ' CYS . 29.3 ttt180 -113.03 21.97 14.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.143 0.423 . . . . 74.53 112.143 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -12.75 47.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.646 -0.659 . . . . 54.33 111.831 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -85.3 -12.87 51.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.964 0.411 . . . . 55.44 110.48 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.06 9.22 3.0 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.156 0.503 . . . . 73.34 110.571 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 81' ' ' PRO . 34.2 tp -128.75 125.84 23.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 73.02 111.281 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.5 ' HD2' HD12 ' A' ' 80' ' ' LEU . 2.7 Cg_exo -76.33 110.37 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.76 2.307 . . . . 74.43 110.667 169.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 108.5 2.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 74.32 111.291 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.7 mtm -125.39 -166.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.916 -0.584 . . . . 72.55 110.585 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 11.6 t70 -93.35 116.42 28.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.575 -0.739 . . . . 64.14 110.092 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -133.24 140.72 47.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 74.22 110.666 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 HG21 ' HB2' ' A' ' 36' ' ' LEU . 15.5 m -113.99 120.84 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.367 0.604 . . . . 75.02 110.1 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 35' ' ' ILE . 37.2 t -98.01 102.51 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.841 -0.618 . . . . 72.01 110.758 -174.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.17 111.18 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 70.24 110.506 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.475 ' HB3' HG11 ' A' ' 93' ' ' VAL . . . -88.75 135.45 33.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.869 -0.605 . . . . 43.53 110.966 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.27 172.45 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.262 -0.426 . . . . 64.32 110.406 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 44.6 mtpt -65.04 130.89 45.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.032 0.444 . . . . 73.3 110.789 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.92 -6.43 47.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.696 -0.764 . . . . 63.54 112.347 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.475 HG11 ' HB3' ' A' ' 89' ' ' ALA . 11.5 p -60.43 -26.98 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.939 0.4 . . . . 72.04 111.519 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.41 -13.7 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.49 . . . . 75.41 111.136 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.18 56.58 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.872 0.844 . . . . 73.22 109.661 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.7 pp -96.84 169.48 9.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.074 -0.967 . . . . 72.4 111.211 -177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.28 149.65 43.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.739 -0.664 . . . . 72.31 109.516 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -60.59 -33.18 72.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.817 0.342 . . . . 74.55 111.6 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 22.6 ttm180 -80.13 -45.9 17.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.625 -0.509 . . . . 74.32 109.625 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.22 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 74.1 112.53 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 102' ' ' SER . 4.6 pp -64.12 -27.22 68.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.689 0.281 . . . . 74.45 111.202 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.411 ' N ' HD12 ' A' ' 101' ' ' LEU . 14.6 t -80.43 -29.91 37.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.104 0.478 . . . . 73.53 109.815 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 35.7 mt-10 -74.07 -36.62 64.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 73.55 110.087 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.657 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -80.19 -20.73 44.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 74.03 111.053 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.71 -43.19 94.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 72.02 110.385 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.455 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -72.12 -18.74 61.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.33 110.94 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.657 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.2 mmmt -68.26 -46.59 70.04 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.383 -0.599 . . . . 74.52 109.383 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.87 -31.28 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.485 -0.779 . . . . 63.32 110.484 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -63.76 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 74.54 109.9 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.479 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -67.72 -30.17 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 72.15 111.842 -173.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -59.83 -34.61 73.31 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.103 0.478 . . . . 72.24 110.838 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -105.83 15.36 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 71.12 110.269 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.615 ' HA ' ' NH2' ' A' ' 76' ' ' ARG . 42.0 t -99.02 -63.13 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.757 -0.656 . . . . 72.51 110.232 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.04 -45.24 95.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 74.03 111.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 71.13 111.055 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.2 -26.75 42.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.29 -0.413 . . . . 73.42 111.375 -177.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 117' ' ' ARG . 26.0 mmm180 -105.33 4.52 31.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.755 0.279 . . . . 74.53 111.755 -174.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.43 -132.57 4.35 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.584 -0.817 . . . . 53.54 112.171 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.753 -0.642 . . . . 73.24 109.717 -179.321 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.76 0.314 . . . . 65.22 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.12 107.92 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.855 -0.424 . . . . 73.15 109.855 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -141.24 150.21 42.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.11 -0.496 . . . . 73.5 110.304 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.7 38.75 0.58 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.166 0.508 . . . . 75.13 110.126 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.97 115.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.471 -0.786 . . . . 61.12 109.686 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 8' ' ' ARG . 13.9 p90 -121.62 146.99 46.85 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.317 -0.401 . . . . 65.25 110.847 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -66.48 -4.36 10.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.276 2.651 . . . . 73.02 113.27 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 28.4 mmt180 -73.42 -14.29 61.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.819 0.342 . . . . 65.23 110.726 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 6' ' ' PHE . 11.7 pt-20 -66.34 -18.97 65.67 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.071 -0.513 . . . . 75.15 110.944 177.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.12 -17.59 64.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.272 0.558 . . . . 62.2 110.114 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 3.1 mmp_? -101.68 -61.73 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.327 -0.62 . . . . 73.53 109.327 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.1 mt -122.19 105.42 10.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.49 -0.777 . . . . 72.33 109.556 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 13' ' ' LEU . 1.9 pp -68.1 133.62 49.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.13 0.49 . . . . 61.32 110.404 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -120.9 77.54 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 73.43 111.817 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.9 -30.08 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.048 1.832 . . . . 74.13 111.175 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 m -93.42 118.61 31.53 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 72.32 110.343 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -75.32 -28.4 59.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.157 -0.682 . . . . 74.04 109.157 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.5 -25.08 65.81 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.302 -0.863 . . . . 74.25 111.128 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.1 m -77.14 -41.66 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 72.14 110.869 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -83.34 -27.14 29.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.417 -0.356 . . . . 72.31 110.911 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.5 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.148 0.499 . . . . 63.24 110.377 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.85 -22.03 40.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 74.13 109.889 176.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.01 -53.43 10.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 72.13 110.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -147.29 94.78 4.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.869 -0.605 . . . . 73.04 109.899 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.489 ' HB2' HD21 ' A' ' 36' ' ' LEU . 89.8 Cg_endo -86.2 159.96 9.91 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.971 2.447 . . . . 53.31 113.419 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.494 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 40.7 mt-30 -99.23 140.96 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.919 . . . . 72.34 108.517 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.26 103.41 13.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.871 0.367 . . . . 73.33 110.372 -175.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.96 169.39 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 75.33 110.497 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 -145.13 19.53 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.865 -0.683 . . . . 63.43 112.312 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.564 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 55.5 p -123.34 169.59 9.87 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 75.21 110.346 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.564 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 17.6 Cg_endo -60.09 -14.44 28.53 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 72.41 112.314 172.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.12 -53.59 4.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.673 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.521 HD13 HD22 ' A' ' 108' ' ' LEU . 8.6 tt -112.57 100.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.522 0.677 . . . . 70.11 110.028 176.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.504 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 20.8 m -94.25 119.07 32.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.598 -0.728 . . . . 70.14 111.187 -176.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -101.97 132.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.715 -0.675 . . . . 44.55 109.736 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' HA ' ' O ' ' A' ' 26' ' ' GLN . 75.9 mt -103.37 -96.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 73.04 111.078 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.71 121.91 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.938 -0.649 . . . . 33.01 113.063 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -138.68 98.91 3.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.094 0.473 . . . . 74.43 111.032 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.5 tp -82.77 88.45 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 65.21 110.509 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.37 -49.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 63.5 110.422 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -165.59 92.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 74.41 110.497 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 tp -170.42 -66.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.218 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 82' ' ' ALA . . . 70.32 21.63 77.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.986 -0.626 . . . . 53.11 112.89 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.4 t-80 -132.11 116.51 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.653 -0.499 . . . . 75.53 109.653 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' MET . 47.3 Cg_exo -57.12 143.78 92.1 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 123.384 2.723 . . . . 75.13 113.834 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -141.66 118.95 11.43 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.392 -0.822 . . . . 73.44 109.555 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' HG21 ' A' ' 47' ' ' ILE . 9.3 tt -81.77 86.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 122.045 0.926 . . . . 60.03 109.861 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.46 67.33 3.48 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.481 -0.781 . . . . 53.45 112.208 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 55.4 tp -64.81 99.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.214 0.53 . . . . 62.24 110.13 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -105.54 96.77 6.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.714 -0.675 . . . . 70.3 110.391 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.421 HG11 ' HB2' ' A' ' 89' ' ' ALA . 27.2 m -97.33 138.79 21.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.779 -0.646 . . . . 74.42 110.716 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.77 153.91 23.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.15 176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -82.25 7.39 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.317 0.58 . . . . 73.21 110.151 -175.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -115.31 -5.57 12.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.431 -0.804 . . . . 71.41 110.631 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -101.52 -54.19 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 54.14 111.142 -175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -81.8 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 71.42 109.835 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.771 ' HG3' ' HD3' ' A' ' 58' ' ' ARG . 13.2 ptm180 -90.59 -23.72 20.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.045 -0.525 . . . . 75.32 111.699 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.771 ' HD3' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -109.47 137.44 47.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.245 -0.28 . . . . 74.05 110.245 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.94 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 74.14 111.55 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -71.97 -8.79 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.153 0.427 . . . . 72.51 112.153 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 94' ' ' ALA . 0.6 OUTLIER -88.64 -23.39 23.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 73.31 110.468 173.648 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -66.3 -38.13 87.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 63.53 110.296 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -89.17 -0.03 57.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.822 -0.627 . . . . 73.01 110.638 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 23.0 ttt180 -94.23 -43.83 8.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.702 -0.681 . . . . 74.01 110.413 -176.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.17 -36.39 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.931 -0.577 . . . . 73.14 111.473 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.451 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 17.1 ptpt -80.98 10.19 5.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.766 0.317 . . . . 72.41 111.847 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -90.03 -47.57 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 74.54 109.608 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.61 -43.72 79.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 73.22 109.982 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.451 ' OG1' ' HA ' ' A' ' 66' ' ' LYS . 9.5 p -71.95 -25.31 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 55.34 111.773 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -60.06 -38.12 81.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 72.45 111.451 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.0 -37.3 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 71.15 111.961 -173.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -69.7 -12.2 61.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.336 0.495 . . . . 71.23 112.336 -172.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.24 10.39 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.973 0.36 . . . . 72.42 111.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -139.18 -36.07 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.404 -0.519 . . . . 60.5 112.327 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.2 19.67 0.16 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.857 0.688 . . . . 74.31 112.857 -173.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -136.61 27.78 3.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.678 -0.489 . . . . 74.52 109.678 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -13.14 55.32 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.754 1.02 . . . . 62.44 113.754 -169.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -77.88 -42.93 31.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.423 -0.511 . . . . 74.23 110.421 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -122.72 84.44 2.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.192 0.52 . . . . 75.0 109.684 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 tp -171.59 135.12 0.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.159 -0.928 . . . . 63.5 109.556 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.32 111.6 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.349 2.032 . . . . 71.54 111.541 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' O ' ' HA2' ' A' ' 43' ' ' GLY . . . -76.55 98.43 4.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 71.33 111.197 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.514 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 26.5 ptt? -145.02 -165.54 2.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.66 -0.7 . . . . 51.41 109.253 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.574 ' OD2' HG23 ' A' ' 86' ' ' VAL . 2.4 p-10 -76.42 157.31 32.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.403 -0.591 . . . . 65.03 109.403 176.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' ' 45' ' ' PRO . 82.2 m-85 -132.71 75.73 1.65 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.965 -0.383 . . . . 74.42 109.965 176.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.574 HG23 ' OD2' ' A' ' 84' ' ' ASP . 58.7 t -67.93 103.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 75.11 109.528 174.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.5 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 47.1 t -93.49 99.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.682 -0.69 . . . . 74.14 109.775 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.504 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 21.8 t -85.85 96.54 5.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.617 -0.512 . . . . 72.5 109.617 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' HB2' HG11 ' A' ' 51' ' ' VAL . . . -80.95 109.12 15.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.761 -0.654 . . . . 64.51 110.796 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.12 174.42 8.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.444 -0.798 . . . . 73.31 109.295 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.21 158.07 35.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.54 -0.541 . . . . 72.12 109.54 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.24 -23.1 29.62 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.61 -0.805 . . . . 62.44 111.37 -172.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -74.59 -32.08 28.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.838 0.352 . . . . 71.2 110.306 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . . . -80.61 63.9 5.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.374 0.607 . . . . 74.34 109.746 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -175.18 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.927 -1.033 . . . . 62.43 109.468 -173.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.35 115.09 3.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.483 -0.78 . . . . 71.35 111.877 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.85 163.77 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.166 -0.925 . . . . 70.15 110.518 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -50.97 -39.39 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.74 0.305 . . . . 73.2 111.197 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 13.9 ttm180 -65.65 -48.82 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 72.25 110.505 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.27 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 71.33 111.479 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.29 -45.39 94.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.158 0.504 . . . . 73.41 110.75 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -69.83 -38.22 76.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.908 -0.587 . . . . 74.31 110.993 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 29.4 mt-10 -77.15 -17.17 58.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 74.42 111.237 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.75 25.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.48 -0.327 . . . . 71.25 110.788 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 73.41 110.581 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.72 -31.87 73.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 74.44 111.132 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.61 -33.22 75.43 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.989 0.423 . . . . 72.32 110.218 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.521 HD22 HD13 ' A' ' 33' ' ' ILE . 11.3 mp -72.0 -41.05 68.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 72.24 110.152 175.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -65.59 -42.38 91.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 73.1 111.205 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -59.17 -28.73 66.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.187 -0.46 . . . . 72.04 111.185 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -86.3 -37.34 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.887 0.375 . . . . 64.45 110.411 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -63.82 -45.04 91.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.26 -0.427 . . . . 74.21 111.287 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.67 -42.29 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.469 0.48 . . . . 75.32 111.14 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 114' ' ' ARG . 11.2 mmt180 -71.33 -37.73 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 74.34 111.138 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.53 -30.21 68.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.481 . . . . 71.32 110.689 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -17.4 56.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 75.21 112.262 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -116.28 -25.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.983 -0.287 . . . . 73.42 111.632 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.95 109.46 1.43 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.741 -0.742 . . . . 61.34 111.515 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.715 -0.66 . . . . 74.13 110.899 -177.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ttt . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.807 0.337 . . . . 70.33 110.374 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -96.26 98.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.794 0.807 . . . . 74.15 109.834 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -83.89 -15.83 46.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.221 -0.899 . . . . 74.33 110.667 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD22 ' HA ' ' A' ' 40' ' ' ASN . 9.9 tt -74.34 -19.03 60.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.524 -0.762 . . . . 73.35 109.846 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.79 -177.45 3.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.769 -0.65 . . . . 63.45 109.853 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -128.29 128.35 23.68 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.669 -0.241 . . . . 74.32 110.369 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.12 140.97 67.62 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.606 2.204 . . . . 61.21 111.945 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -71.04 -16.64 62.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.136 -0.484 . . . . 71.5 110.834 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.57 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.14 110.372 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -87.42 -55.26 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 72.1 108.886 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.4 tpt180 -149.93 127.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.607 -0.724 . . . . 72.11 109.993 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.28 108.22 7.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.136 -0.69 . . . . 72.42 109.136 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -112.44 172.95 6.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.771 -0.65 . . . . 75.13 110.401 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -81.8 125.17 78.57 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.086 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.28 10.07 1.92 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 123.094 2.53 . . . . 73.05 113.476 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -89.21 136.1 33.21 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.123 -0.325 . . . . 65.44 110.123 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.62 -30.32 42.2 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 64.23 111.668 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HA ' HG21 ' A' ' 86' ' ' VAL . 78.0 m-85 -59.49 -40.58 87.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.198 -0.456 . . . . 73.23 111.108 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -88.56 -21.39 24.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 55.13 110.523 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' HZ ' HD23 ' A' ' 4' ' ' LEU . 88.4 t80 -70.51 -42.08 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 74.24 111.175 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.521 HG11 ' HB3' ' A' ' 38' ' ' ARG . 35.0 m -71.06 -24.13 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.495 -0.321 . . . . 71.21 111.421 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.39 -13.48 61.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 73.13 111.456 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.23 -33.3 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 74.12 110.785 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.91 89.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.26 -1.015 . . . . 74.11 108.26 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -97.16 170.35 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.441 2.761 . . . . 65.41 113.897 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -89.58 126.06 35.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.16 -0.927 . . . . 74.4 108.999 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.07 87.09 6.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 74.44 110.528 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.42 156.04 21.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 63.41 110.663 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.39 -145.61 17.7 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.769 -0.729 . . . . 54.11 112.427 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.46 ' HB ' ' CD ' ' A' ' 31' ' ' PRO . 23.7 p -133.92 173.3 6.0 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.334 -0.247 . . . . 72.24 110.334 -177.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' CD ' ' HB ' ' A' ' 30' ' ' THR . 23.4 Cg_exo -67.02 -11.71 33.31 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 74.54 112.853 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.485 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 21.0 pt20 -95.16 -31.48 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 62.12 110.148 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.8 tt -142.19 105.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.546 0.689 . . . . 70.54 109.728 176.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 m -103.44 125.27 49.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 74.54 111.054 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.521 HG13 HG12 ' A' ' 87' ' ' VAL . 3.6 mp -96.63 110.01 24.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.33 -0.619 . . . . 43.45 109.33 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.98 90.95 7.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.171 0.51 . . . . 75.42 109.969 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.76 162.6 17.48 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.561 -0.745 . . . . 74.13 111.383 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HB3' HG11 ' A' ' 21' ' ' VAL . 20.3 ttt180 -166.72 124.63 1.35 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.281 -0.266 . . . . 65.44 110.281 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.566 HD21 ' H ' ' A' ' 39' ' ' LEU . 1.9 pt? -56.25 126.8 27.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 74.33 109.522 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.598 ' HA ' HD22 ' A' ' 4' ' ' LEU . 9.2 p30 -153.17 155.68 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 74.0 110.443 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 m -84.89 95.42 9.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.233 0.54 . . . . 63.42 110.758 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -166.59 -47.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.224 -0.898 . . . . 73.12 109.094 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.474 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 68.69 48.05 52.21 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.822 -0.626 . . . . 60.14 111.851 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -109.13 89.65 7.05 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-O 120.995 0.426 . . . . 73.54 109.914 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.474 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 72.9 Cg_endo -83.41 84.28 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.346 2.031 . . . . 60.14 112.789 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -136.82 130.78 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 HD11 ' HB ' ' A' ' 69' ' ' THR . 10.0 tt -66.95 122.04 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.289 0.566 . . . . 54.23 110.528 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.51 53.06 0.67 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.768 -0.729 . . . . 63.43 112.606 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 65' ' ' ILE . 33.6 tp -73.28 115.63 12.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.223 -0.288 . . . . 73.44 110.223 177.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -120.68 116.69 25.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.23 -0.441 . . . . 72.42 110.662 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -91.6 127.83 43.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.186 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.49 150.68 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 74.34 110.894 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -80.4 72.86 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 73.41 110.532 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -155.33 17.43 0.41 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.285 -0.87 . . . . 73.32 109.483 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.72 -64.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.888 -1.051 . . . . 75.43 109.577 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.2 t -104.74 116.55 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.656 -0.498 . . . . 72.21 109.656 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -106.59 -68.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 64.51 110.184 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HD3' ' HA ' ' A' ' 58' ' ' ARG . 18.0 mmt180 -131.94 98.35 4.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.312 0.577 . . . . 73.04 110.828 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.63 162.31 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.016 -0.993 . . . . 63.3 108.836 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -71.75 -13.32 61.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 74.14 110.201 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.1 mp0 -75.85 -5.13 44.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.259 -0.882 . . . . 53.11 111.033 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -45.15 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 70.43 109.587 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -87.59 -14.64 39.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 62.54 110.327 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.537 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 17.6 tpp180 -57.04 -48.61 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 73.42 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.487 HG21 HD23 ' A' ' 49' ' ' LEU . 37.4 mm -62.95 -42.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.557 -0.747 . . . . 64.23 111.153 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 66' ' ' LYS . 19.0 ptmt -82.06 -14.76 55.38 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.575 -0.45 . . . . 71.23 111.515 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -73.36 -54.8 7.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.982 0.42 . . . . 73.24 110.134 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -47.27 81.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.258 -0.883 . . . . 60.32 110.643 -176.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.466 ' HB ' HD11 ' A' ' 47' ' ' ILE . 23.3 p -71.62 -37.24 70.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 71.42 112.121 -176.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -66.0 -47.01 75.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 64.22 110.854 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.25 -32.11 68.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.806 -0.634 . . . . 70.14 111.186 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 p -76.84 -39.4 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.688 0.28 . . . . 75.42 110.768 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.37 -39.09 89.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.121 0.486 . . . . 74.21 110.443 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.66 -13.01 61.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.56 -0.746 . . . . 71.14 111.501 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 tp -109.55 -8.08 15.05 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.695 -0.402 . . . . 75.44 110.991 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -124.29 16.93 9.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.118 0.414 . . . . 74.24 112.118 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -19.26 63.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.039 0.385 . . . . 73.45 112.039 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -93.84 -10.71 33.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 71.32 109.969 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.67 2.46 53.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.536 -0.757 . . . . 53.52 109.704 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.54 156.54 60.05 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.272 -0.876 . . . . 64.34 109.993 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.54 148.27 53.49 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.741 2.294 . . . . 61.22 111.709 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.448 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -62.78 102.38 0.34 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.932 0.396 . . . . 54.42 110.748 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.0 ttm -148.98 152.36 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.225 -0.443 . . . . 75.2 110.624 -175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.68 120.4 21.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 74.23 110.288 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -116.5 105.83 12.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.102 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 18' ' ' PHE . 49.6 t -88.24 105.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 54.25 110.053 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.521 HG12 HG13 ' A' ' 35' ' ' ILE . 14.9 t -95.31 113.94 30.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.236 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.3 t -104.46 115.49 46.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.262 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 93' ' ' VAL . . . -74.44 134.7 42.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 73.44 110.514 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -103.49 170.7 7.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.645 -0.502 . . . . 72.52 109.645 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -74.52 113.83 12.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.268 0.556 . . . . 70.1 111.001 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.08 -8.23 8.05 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.393 -0.821 . . . . 52.23 112.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 32' ' ' GLN . 13.5 p -68.73 -35.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.002 0.371 . . . . 74.01 112.002 -177.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.485 ' HB2' ' HB3' ' A' ' 61' ' ' GLU . . . -90.35 9.87 27.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 73.05 111.03 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -122.85 74.76 1.23 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.277 0.56 . . . . 50.41 110.099 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.417 HD21 HE22 ' A' ' 32' ' ' GLN . 1.1 pp -135.97 172.75 12.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.742 -0.663 . . . . 65.32 110.72 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.7 166.46 21.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 74.23 111.156 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.444 ' C ' HD21 ' A' ' 98' ' ' ASN . 0.2 OUTLIER -58.94 -46.05 88.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 72.04 110.149 177.113 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 14.9 ptm180 -63.02 -27.91 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 72.0 111.588 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.63 -20.41 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 73.5 111.455 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.89 -52.27 66.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.99 0.424 . . . . 71.31 110.502 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -70.98 -33.15 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 74.22 110.706 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 44.8 mt-10 -67.9 -50.73 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 72.0 110.823 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.36 -27.04 64.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.484 -0.326 . . . . 74.03 111.403 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.92 -53.4 56.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.53 . . . . 72.04 111.339 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.51 ' HA ' ' HB3' ' A' ' 109' ' ' TRP . 13.3 pt-20 -75.32 -17.99 60.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.657 -0.417 . . . . 61.1 110.988 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 14.4 mmmm -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 72.25 110.359 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.47 -36.87 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.11 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.51 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 25.5 t90 -61.56 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.536 -0.757 . . . . 75.12 111.104 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -57.65 -30.07 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 70.35 111.338 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -62.31 -46.39 88.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 72.54 111.001 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -26.52 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 72.34 110.95 -174.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.54 -42.56 95.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.931 0.396 . . . . 62.32 110.756 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -69.03 -47.15 66.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.939 -0.573 . . . . 72.55 110.379 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.8 tp -67.51 -27.14 66.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.95 -0.568 . . . . 73.4 111.484 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.85 -12.01 61.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 71.55 111.33 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -117.04 6.98 12.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 75.52 109.724 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 76.93 -110.19 2.96 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.331 -0.849 . . . . 63.23 112.298 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.593 -0.718 . . . . 65.34 110.063 179.117 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttm . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.109 -0.33 . . . . 53.23 110.109 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.402 HG21 ' HB2' ' A' ' 6' ' ' PHE . 7.6 p -88.31 118.98 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.53 0.681 . . . . 72.04 111.301 -177.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.518 ' HG2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -125.95 11.5 7.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 74.11 110.195 174.387 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.518 HD11 ' HG2' ' A' ' 3' ' ' LYS . 7.3 mp -109.29 178.89 4.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.1 109.494 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.24 99.14 5.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.194 -0.299 . . . . 71.42 110.194 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' HB2' HG21 ' A' ' 2' ' ' VAL . 56.2 t80 -76.98 117.26 63.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.4 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -79.62 59.55 7.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.952 2.434 . . . . 71.34 112.294 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -28.98 70.31 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.99 0.424 . . . . 71.41 110.959 179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -75.33 -22.97 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.263 0.554 . . . . 64.44 110.295 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 HD13 ' HB3' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -92.48 -31.33 15.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.654 . . . . 73.35 109.274 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 67.48 20.02 9.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.36 -0.836 . . . . 75.34 111.821 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' HB3' HD13 ' A' ' 10' ' ' LEU . 2.0 tm? -136.87 113.43 10.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.279 -0.637 . . . . 73.22 109.279 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.13 117.36 24.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 74.31 109.714 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.48 107.46 53.25 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.919 0.39 . . . . 73.21 110.948 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.4 2.86 8.16 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 123.116 2.544 . . . . 50.33 112.211 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -70.02 123.67 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 30.31 110.858 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' HA ' HD22 ' A' ' 40' ' ' ASN . 3.1 pt20 -52.22 -48.94 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.368 -0.833 . . . . 71.03 112.403 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -67.88 -36.99 81.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 74.52 111.327 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 20.1 m -69.85 -45.5 67.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 54.42 111.579 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.82 -42.15 99.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.34 111.423 -174.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 38' ' ' ARG . 11.7 p -78.39 -20.55 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 62.33 111.232 -176.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.56 -36.48 63.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 74.23 111.503 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.5 mm-40 -61.28 -57.88 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 71.45 111.742 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -133.79 82.8 49.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 61.52 110.613 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.515 ' HB2' HD21 ' A' ' 36' ' ' LEU . 96.0 Cg_endo -82.67 144.05 12.3 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.803 2.336 . . . . 75.14 113.015 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -84.58 127.8 34.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.21 -0.663 . . . . 73.42 109.21 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -85.57 94.0 8.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.903 0.382 . . . . 73.34 110.061 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.46 168.72 9.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 64.41 110.792 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.49 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 90.23 -117.2 4.99 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.872 -0.68 . . . . 72.42 112.31 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.45 HG23 ' HD2' ' A' ' 31' ' ' PRO . 3.6 m -144.58 151.48 50.51 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.303 -0.629 . . . . 71.13 109.303 -177.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 30' ' ' THR . 73.1 Cg_exo -54.81 -29.11 61.28 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.156 1.904 . . . . 74.41 112.521 172.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -79.05 -39.93 32.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.061 0.458 . . . . 71.33 110.783 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 33' ' ' ILE . 12.2 tt -131.29 97.31 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.912 0.863 . . . . 72.42 109.191 174.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -95.34 122.76 38.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.323 -0.853 . . . . 71.21 112.011 -168.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.553 HD12 HD13 ' A' ' 108' ' ' LEU . 53.3 mt -97.04 114.45 34.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.675 -0.693 . . . . 61.44 109.816 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.515 HD21 ' HB2' ' A' ' 25' ' ' PRO . 84.7 mt -100.32 103.75 15.17 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.41 -0.589 . . . . 74.13 109.41 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.03 148.89 18.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.648 -0.787 . . . . 72.24 112.829 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HB2' HG23 ' A' ' 21' ' ' VAL . 17.5 mmt180 -158.39 146.62 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.167 0.587 . . . . 72.15 109.596 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.701 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -67.52 104.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.361 -0.607 . . . . 70.14 109.361 175.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.489 HD22 ' HA ' ' A' ' 17' ' ' GLN . 3.4 t-20 -90.19 159.46 16.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.941 -0.572 . . . . 71.3 111.239 -171.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.81 -19.93 24.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 74.43 110.904 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -64.32 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.838 -0.801 . . . . 75.55 108.838 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.95 46.74 10.2 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.698 -0.763 . . . . 71.12 113.234 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 16.9 t60 -131.67 84.43 54.95 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.594 -0.891 . . . . 73.1 108.594 175.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -31.87 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 124.824 3.683 . . . . 73.43 115.314 -168.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 44' ' ' HIS . 18.3 mmm180 -116.41 111.26 19.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.177 -0.919 . . . . 75.21 108.983 170.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.433 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.8 tt -69.7 100.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.535 0.684 . . . . 62.12 110.143 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.578 ' HA3' HG11 ' A' ' 86' ' ' VAL . . . -77.05 63.69 3.19 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.675 -0.693 . . . . 54.24 112.893 -176.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.73 113.06 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.943 0.401 . . . . 74.2 110.29 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -107.43 94.12 4.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.196 0.522 . . . . 72.53 109.975 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.0 91.0 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.661 0.743 . . . . 71.33 110.319 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.31 139.51 58.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.261 -0.881 . . . . 72.53 111.019 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -80.32 -6.52 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.05 -0.523 . . . . 75.43 111.111 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -86.08 -26.01 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.444 -0.576 . . . . 74.44 109.444 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.54 ' HA ' ' HB3' ' A' ' 91' ' ' LYS . 90.9 m-20 -84.66 -32.33 23.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.618 -0.719 . . . . 64.3 109.881 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.5 t -120.19 99.9 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 71.44 109.728 174.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -76.74 -8.3 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 75.41 110.499 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.658 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 16.4 mmm180 -82.23 -177.07 6.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 63.22 111.016 -177.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.11 -76.54 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 75.21 111.186 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -64.36 -24.59 67.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.189 0.519 . . . . 74.5 110.642 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.658 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 11.5 mp0 -66.43 -19.66 65.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 53.15 110.972 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 54.8 mtp180 -73.81 -33.18 64.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.15 0.5 . . . . 74.11 109.715 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.487 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 13.6 m120 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 71.41 109.916 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -58.11 -45.18 87.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 74.24 110.42 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.39 -39.92 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 61.35 110.322 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 71.32 111.411 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 79.3 mtp180 -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.319 . . . . 75.23 110.846 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.528 HD13 HD23 ' A' ' 105' ' ' LEU . 2.5 tm? -67.7 -48.04 67.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 62.41 110.648 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 p -73.69 -36.47 65.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 71.33 112.329 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.58 -3.45 18.23 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.736 0.303 . . . . 72.41 111.285 -176.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.36 -64.13 1.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.945 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 p -60.58 -40.66 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.812 0.671 . . . . 74.31 112.812 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -72.44 -33.84 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 64.4 111.436 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.802 ' HD3' HD23 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -82.32 -26.62 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.973 -0.558 . . . . 74.41 111.911 -173.545 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.802 HD23 ' HD3' ' A' ' 74' ' ' ARG . 3.2 mm? -79.99 3.75 19.12 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.524 0.564 . . . . 53.22 112.524 -176.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -131.17 24.75 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.138 -0.351 . . . . 73.15 110.682 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -70.96 -2.81 16.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 74.12 111.937 -172.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.02 -28.27 22.72 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.286 -0.259 . . . . 71.13 111.496 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.89 0.376 . . . . 74.1 110.688 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.65 124.82 88.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.664 . . . . 75.33 109.206 174.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HD3' ' HB1' ' A' ' 116' ' ' ALA . 51.3 Cg_exo -54.67 147.94 47.14 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.239 2.626 . . . . 72.31 113.131 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.03 72.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 74.32 110.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -134.86 141.22 46.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.485 -0.779 . . . . 62.45 109.541 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.02 129.93 34.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 74.31 110.605 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -139.36 153.81 47.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 73.25 110.651 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.578 HG11 ' HA3' ' A' ' 48' ' ' GLY . 31.4 m -115.58 144.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 72.54 110.894 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.95 110.89 30.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.442 -0.577 . . . . 75.43 109.442 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.07 115.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 75.44 111.086 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.56 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 41.3 110.03 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -92.85 175.99 6.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.502 . . . . 64.04 111.13 -175.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 55' ' ' ASN . 20.4 pttt -73.0 105.38 4.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 65.32 111.124 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.08 -30.39 0.89 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.396 -0.82 . . . . 74.52 111.808 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.45 -25.85 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 111.845 0.313 . . . . 75.24 111.845 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.96 -18.21 59.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.96 0.409 . . . . 64.24 111.77 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -112.93 22.07 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.761 0.791 . . . . 74.24 110.145 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.58 -0.736 . . . . 63.33 110.682 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.491 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 10.1 t70 -93.69 149.55 21.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 61.43 110.684 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -62.85 -37.29 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.141 0.422 . . . . 72.53 112.141 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -78.31 -30.72 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.4 -0.592 . . . . 75.42 109.4 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.23 71.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.632 -0.713 . . . . 52.42 110.461 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 98.5 mt -65.59 -32.57 74.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 55.21 110.279 176.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 t -71.77 -35.92 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 72.23 109.893 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.67 -37.44 79.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.889 -0.596 . . . . 74.13 110.424 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.83 -22.12 37.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 54.22 111.191 -178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.528 HD23 HD13 ' A' ' 68' ' ' LEU . 3.1 tm? -56.29 -44.76 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 73.35 110.861 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.56 -21.23 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.524 -0.307 . . . . 62.23 111.563 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -72.54 -59.98 2.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.677 0.275 . . . . 74.15 110.84 -173.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.553 HD13 HD12 ' A' ' 35' ' ' ILE . 2.6 pt? -72.73 -28.41 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 74.04 110.669 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -69.17 -50.06 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.446 -0.343 . . . . 72.14 110.522 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.73 -32.12 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 73.23 110.738 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.49 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 21.8 tpp180 -61.76 -35.44 78.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 71.05 109.854 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -81.96 -17.49 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 75.12 110.625 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.99 -39.61 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.559 -0.534 . . . . 71.24 109.559 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -61.56 -55.71 27.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.538 -0.756 . . . . 72.41 109.888 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.83 63.05 4.26 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.844 0.831 . . . . 73.34 109.773 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.415 ' HB1' ' HD3' ' A' ' 81' ' ' PRO . . . -165.01 -35.72 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.466 -1.243 . . . . 40.21 109.239 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 117' ' ' ARG . 4.7 mmp_? -100.86 -17.98 16.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.604 -0.726 . . . . 74.53 110.402 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.3 -171.6 20.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.008 -0.615 . . . . 74.55 112.183 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.554 -0.736 . . . . 74.25 110.069 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HE2' ' HB2' ' A' ' 1' ' ' MET . 4.9 ppp? . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.003 0.43 . . . . 74.1 110.45 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.29 -30.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.71 -0.677 . . . . 72.11 109.66 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -95.16 128.98 42.42 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.014 -0.539 . . . . 73.44 109.801 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 8.7 mp -67.79 125.71 27.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.957 -0.386 . . . . 74.14 109.957 178.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.21 89.36 3.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.965 -0.561 . . . . 75.53 111.631 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -85.27 123.49 73.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.107 -0.701 . . . . 71.12 109.107 171.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.26 111.16 0.47 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.133 2.555 . . . . 63.43 112.729 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -67.57 -11.06 57.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.502 -0.772 . . . . 75.3 110.006 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.43 -39.53 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.88 -1.055 . . . . 61.44 109.245 172.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 52.7 tp -89.25 -68.67 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.683 -0.69 . . . . 74.34 109.92 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 53.2 mtm-85 -141.84 144.1 33.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 71.52 109.735 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.04 130.12 35.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.732 -0.47 . . . . 75.11 109.732 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.19 156.59 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 74.34 110.854 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 5.4 p -115.75 140.02 25.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.401 -0.363 . . . . 73.34 111.129 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 16.4 Cg_exo -69.27 -3.24 11.29 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 74.33 111.998 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -92.71 114.32 26.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.626 -0.716 . . . . 74.11 110.051 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -65.24 -22.48 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.302 . . . . 62.23 111.229 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 93.9 t80 -64.4 -42.98 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.687 177.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 p -86.71 -16.81 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.405 -0.362 . . . . 71.54 111.111 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -66.3 -50.51 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 72.43 110.067 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.42 -9.15 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.876 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.581 ' HA ' ' HG3' ' A' ' 25' ' ' PRO . 17.6 t80 -84.86 -0.7 54.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.521 . . . . 73.0 110.42 -177.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -62.81 -38.88 92.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.223 0.535 . . . . 61.12 109.831 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -155.47 77.44 4.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.643 -0.873 . . . . 64.51 108.643 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.581 ' HG3' ' HA ' ' A' ' 22' ' ' PHE . 11.5 Cg_exo -68.73 118.4 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.833 2.355 . . . . 63.24 113.51 -169.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -85.63 121.71 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 71.43 109.48 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.497 ' HG2' HG21 ' A' ' 34' ' ' THR . 6.0 tmm_? -94.99 100.63 12.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.492 . . . . 73.14 110.428 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -119.45 99.23 6.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 72.05 109.799 175.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.7 -146.3 10.75 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.846 -0.692 . . . . 62.42 111.796 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.53 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 48.5 p -127.36 169.32 12.52 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 110.513 -0.18 . . . . 75.13 110.513 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.53 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 48.4 Cg_endo -71.44 0.68 6.48 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.095 1.864 . . . . 63.51 111.466 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -97.02 -41.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.552 -0.749 . . . . 74.34 109.558 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -144.22 119.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 74.44 109.645 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.497 HG21 ' HG2' ' A' ' 27' ' ' ARG . 32.7 m -110.66 114.26 27.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.098 -0.501 . . . . 75.23 111.449 -172.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.417 HG13 HG11 ' A' ' 87' ' ' VAL . 4.0 mp -93.91 115.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 53.13 109.814 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HB2' HG11 ' A' ' 86' ' ' VAL . 98.0 mt -104.04 112.53 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.283 -0.417 . . . . 72.21 109.971 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.04 116.26 1.36 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.449 -0.882 . . . . 73.45 112.845 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -145.19 82.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.545 -0.539 . . . . 72.22 109.545 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HG ' ' H ' ' A' ' 40' ' ' ASN . 9.5 tp -150.09 -165.54 2.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 74.23 109.272 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.583 ' H ' ' HG ' ' A' ' 39' ' ' LEU . 37.5 t-20 -108.35 136.23 48.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.744 -0.465 . . . . 63.32 109.744 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -76.81 78.98 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.274 0.559 . . . . 73.42 110.494 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.36 -19.13 43.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.696 . . . . 65.44 111.371 -176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.568 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 113.34 -5.03 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.647 -0.787 . . . . 65.24 111.181 -175.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -96.4 98.47 4.26 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.405 -0.591 . . . . 73.4 109.405 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 30.5 Cg_endo -93.14 103.26 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.921 2.414 . . . . 65.1 112.529 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -113.67 108.95 17.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.298 -0.41 . . . . 71.4 110.097 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.529 HD11 ' HB ' ' A' ' 69' ' ' THR . 3.4 tt -87.42 99.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.77 0.795 . . . . 73.42 110.473 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 71.56 2.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.774 -0.727 . . . . 42.11 112.616 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD12 HG22 ' A' ' 69' ' ' THR . 58.7 tp -67.38 118.39 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.839 0.352 . . . . 63.1 110.661 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -114.43 110.09 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.997 0.427 . . . . 63.11 110.768 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.84 143.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 70.04 109.866 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.42 -178.29 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.745 -0.207 . . . . 74.45 110.69 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HG2' HH21 ' A' ' 62' ' ' ARG . 46.7 mtpt -90.1 -15.47 31.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 74.11 110.576 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -74.42 -23.69 58.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.467 -0.333 . . . . 72.42 111.156 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.2 p-10 -105.07 -48.85 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 74.14 110.297 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.91 87.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.279 0.562 . . . . 75.44 109.875 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -93.56 10.76 31.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.509 . . . . 62.04 110.93 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -101.57 104.21 15.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 73.31 109.584 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.59 72.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.947 -0.569 . . . . 71.14 111.657 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -68.2 -25.35 65.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.056 0.455 . . . . 74.55 110.75 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -93.72 9.74 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.223 -0.444 . . . . 61.4 111.172 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.597 HH21 ' HG2' ' A' ' 53' ' ' LYS . 14.7 mmt180 -63.76 -39.58 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.992 0.425 . . . . 71.4 110.656 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.49 -27.08 66.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.545 -0.752 . . . . 71.21 110.336 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -60.64 -52.01 66.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.775 -0.648 . . . . 73.54 110.988 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.3 mm -62.38 -39.62 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.516 -0.765 . . . . 71.02 110.865 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -57.52 -57.08 14.26 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.102 -0.239 . . . . 72.23 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -67.69 -29.55 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 70.31 111.589 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -41.51 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.094 -0.706 . . . . 74.42 109.094 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.529 ' HB ' HD11 ' A' ' 47' ' ' ILE . 31.6 p -91.12 0.19 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 71.43 111.638 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.612 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.3 tpp180 -90.74 -67.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 72.2 110.203 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -15.66 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.77 -0.65 . . . . 72.23 112.154 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 p -84.59 -63.71 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.855 0.36 . . . . 71.04 110.949 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.661 ' HD2' HD21 ' A' ' 80' ' ' LEU . 77.5 m-85 -65.74 -34.01 77.21 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.301 0.852 . . . . 53.23 113.301 -172.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 4.7 ppt_? -92.44 -5.42 51.98 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.333 -0.547 . . . . 72.31 112.172 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.0 mt -107.42 -45.49 4.07 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.844 -0.343 . . . . 73.43 110.77 177.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.682 ' HG3' ' HB2' ' A' ' 79' ' ' GLU . 3.3 tpm_? -95.32 54.22 1.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.666 0.745 . . . . 75.21 109.26 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -19.46 65.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.315 -0.857 . . . . 64.41 111.944 -174.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -81.77 3.34 26.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.664 0.269 . . . . 65.41 111.156 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.682 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -108.84 3.34 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.246 0.546 . . . . 63.32 109.57 174.067 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.661 HD21 ' HD2' ' A' ' 73' ' ' PHE . 54.9 tp -127.51 118.36 21.46 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.617 -0.72 . . . . 74.34 111.45 -174.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.484 ' HD2' ' HE1' ' A' ' 112' ' ' HIS . 19.1 Cg_endo -62.68 110.57 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.249 1.966 . . . . 61.14 110.297 170.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 95.14 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.11 0.481 . . . . 64.24 111.765 -176.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.411 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 25.3 ptt? -150.84 176.69 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.218 -0.901 . . . . 75.41 109.486 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.14 117.46 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 71.43 109.004 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.5 160.99 38.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.666 0.269 . . . . 72.21 110.662 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.429 HG11 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -111.97 134.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.236 0.541 . . . . 75.43 111.122 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.417 HG11 HG13 ' A' ' 35' ' ' ILE . 46.8 t -109.59 107.33 22.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 73.01 109.624 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.8 110.63 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.918 0.39 . . . . 70.42 110.509 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 126.88 33.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.143 -0.481 . . . . 75.22 109.951 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.91 -170.48 2.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.208 -0.664 . . . . 74.24 109.208 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -92.9 104.36 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.426 -0.583 . . . . 74.42 109.426 176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.65 -37.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.46 -0.656 . . . . 73.52 111.46 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.8 8.11 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.628 0.728 . . . . 74.12 110.164 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.34 24.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 65.41 110.969 -177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.92 101.96 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.49 . . . . 65.12 110.543 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.4 mt -144.91 169.68 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.872 -0.603 . . . . 73.31 109.849 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.82 161.63 28.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.376 -0.375 . . . . 73.44 110.144 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -60.68 -41.78 95.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 71.5 111.124 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 13.0 ttm180 -79.18 -32.19 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.912 -0.315 . . . . 53.34 110.685 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.0 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.4 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.57 -17.15 61.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.389 . . . . 71.12 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 t -78.95 -45.05 21.22 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.209 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.531 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 10.8 pt-20 -73.68 -26.51 60.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.596 0.236 . . . . 73.23 110.702 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.415 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -57.56 -31.84 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 64.11 110.654 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.47 -37.79 77.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 72.53 111.09 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -73.08 -23.47 60.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.621 -0.432 . . . . 74.42 110.073 -178.541 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 22.4 mmmt -64.82 -44.41 89.94 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.215 -0.661 . . . . 64.4 109.215 175.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.56 -49.33 63.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.327 -0.851 . . . . 65.3 110.36 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.446 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 32.6 t90 -59.25 -56.16 25.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 73.31 111.96 -176.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -61.29 -32.58 72.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.641 -0.254 . . . . 72.01 111.555 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 25.4 tpt180 -83.03 -39.97 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.801 -0.36 . . . . 71.43 110.548 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.484 ' HE1' ' HD2' ' A' ' 81' ' ' PRO . 21.2 t-80 -66.64 -35.93 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 72.45 110.184 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.18 -51.7 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 72.43 110.741 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.614 ' HB3' ' OXT' ' A' ' 119' ' ' SER . 10.4 mmm180 -60.76 -52.27 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.566 . . . . 60.34 111.131 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.06 -33.63 74.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 74.22 111.969 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.8 64.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 72.33 111.475 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -87.68 -37.5 16.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.517 -0.31 . . . . 75.21 110.659 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.86 -80.23 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.391 -0.909 . . . . 71.14 112.88 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.614 ' OXT' ' HB3' ' A' ' 114' ' ' ARG . 21.1 t . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.658 -0.687 . . . . 71.24 109.534 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.753 0.311 . . . . 63.5 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -78.91 107.07 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 63.21 111.291 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.546 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -102.16 -37.85 7.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.411 -0.589 . . . . 70.44 109.411 171.26 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.2 109.9 15.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 74.54 109.841 174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.91 88.64 7.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.425 . . . . 74.5 110.301 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -109.78 166.16 11.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.571 -0.741 . . . . 73.3 109.571 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.64 102.97 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.525 2.15 . . . . 74.51 112.515 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 8' ' ' ARG . 17.0 ptt180 -71.49 -14.66 62.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 63.41 110.644 -178.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.62 -25.6 45.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.44 -0.8 . . . . 54.03 110.63 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.6 mt -98.83 -36.45 9.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 74.21 110.685 -178.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.88 143.45 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 74.23 110.467 179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -89.87 176.55 6.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.235 -0.439 . . . . 71.42 110.163 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -75.04 88.88 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 73.31 110.993 -177.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 p -112.54 102.02 53.6 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.86 -0.609 . . . . 60.14 110.081 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.76 0.27 9.78 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.708 2.272 . . . . 65.42 112.95 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -67.27 137.47 56.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.656 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -55.28 -35.49 65.11 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.958 0.355 . . . . 75.32 111.958 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -79.65 3.93 17.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.354 0.501 . . . . 74.34 112.354 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.4 m -143.57 -30.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.372 -0.531 . . . . 62.04 112.378 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.12 -46.66 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 75.14 111.049 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 21' ' ' VAL . 10.3 p -96.49 7.06 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.481 0.657 . . . . 72.34 110.602 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -85.5 16.11 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.094 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -70.32 -71.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.178 -0.675 . . . . 74.55 109.178 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -146.28 74.78 12.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.073 -0.967 . . . . 75.12 108.794 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 58.0 Cg_endo -70.83 139.61 36.88 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.36 2.04 . . . . 64.3 112.042 -175.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.43 107.27 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.825 -0.435 . . . . 72.25 109.825 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -71.13 99.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.192 -0.67 . . . . 75.4 109.192 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.06 -176.24 2.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.276 -0.42 . . . . 43.13 110.529 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.688 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 89.64 -130.36 10.17 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.848 -0.691 . . . . 63.45 112.044 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.431 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 40.3 p -133.42 170.49 11.22 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 110.303 -0.258 . . . . 64.44 110.303 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 30.5 Cg_exo -62.86 -26.51 74.62 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.476 2.117 . . . . 73.41 112.395 174.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.0 -55.56 4.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.447 . . . . 74.04 110.616 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.0 tt -121.15 115.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.558 0.694 . . . . 73.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -105.32 128.53 53.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.599 -0.728 . . . . 75.31 111.872 -172.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.3 mp -103.83 126.95 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.356 -0.609 . . . . 75.55 109.356 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.669 ' HB2' HG11 ' A' ' 86' ' ' VAL . 91.2 mt -107.47 124.05 49.31 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.919 -0.4 . . . . 75.11 109.919 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.5 6.45 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.989 -1.1 . . . . 71.34 113.773 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' H ' HD11 ' A' ' 39' ' ' LEU . 21.1 ttm-85 -179.64 73.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.719 0.807 . . . . 73.52 109.323 170.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 5.5 mp -138.45 159.74 41.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.117 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -160.43 165.54 30.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.514 -0.55 . . . . 74.3 109.514 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 65.41 15.75 10.18 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.607 0.567 . . . . 74.25 111.399 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.54 -66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.009 -0.367 . . . . 74.04 110.009 -177.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.514 ' HA2' ' HB2' ' A' ' 82' ' ' ALA . . . 91.86 -12.82 68.46 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.703 -0.76 . . . . 74.41 113.266 177.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -127.93 98.36 27.64 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.962 0.381 . . . . 64.14 110.932 -178.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.532 ' HA ' ' HA ' ' A' ' 84' ' ' ASP . 5.9 Cg_exo -79.18 137.99 13.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.109 2.54 . . . . 73.12 112.158 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -118.55 -171.97 2.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.715 -0.476 . . . . 74.34 109.715 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 70' ' ' ARG . 5.5 tt -124.58 86.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.927 0.87 . . . . 75.44 110.039 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 62.62 4.3 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.659 -0.781 . . . . 74.35 112.565 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.763 HD21 ' HD2' ' A' ' 66' ' ' LYS . 49.8 tp -71.76 109.79 5.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.236 0.541 . . . . 73.32 110.395 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -100.21 103.32 14.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.556 -0.747 . . . . 74.02 110.385 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.89 115.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.841 -0.618 . . . . 74.32 110.28 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.4 178.24 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 71.21 111.278 -176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.53 1.7 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.838 -0.619 . . . . 64.5 111.425 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.92 1.96 15.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.286 0.565 . . . . 73.3 110.174 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -109.93 -28.05 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.768 -0.827 . . . . 74.41 108.768 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 62' ' ' ARG . 8.0 p -128.38 153.48 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.507 -1.224 . . . . 71.45 108.78 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -99.17 -49.12 4.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.666 -0.414 . . . . 73.02 111.437 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.682 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 76.4 mtt180 -99.48 148.54 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.879 0.371 . . . . 74.31 111.031 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.83 85.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 72.03 110.398 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -61.11 -41.17 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 73.32 111.226 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.682 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 61.7 mt-10 -65.72 -36.82 84.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 75.25 110.209 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HB2' HG13 ' A' ' 56' ' ' VAL . 35.6 ttt180 -64.34 -50.27 68.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 72.03 110.592 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.6 -28.32 68.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.934 -0.576 . . . . 74.45 110.556 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 26.8 tpt180 -58.07 -46.69 85.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.621 -0.718 . . . . 65.53 110.268 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.0 mm -73.56 -34.16 41.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.978 -0.555 . . . . 73.44 110.553 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.763 ' HD2' HD21 ' A' ' 49' ' ' LEU . 23.5 mmmt -56.23 -51.58 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.662 -0.699 . . . . 75.13 112.076 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -80.33 -27.75 38.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.008 -0.277 . . . . 75.54 111.326 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.78 -52.38 64.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 65.13 110.005 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -67.28 -44.45 79.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 74.2 111.438 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HA ' HD12 ' A' ' 47' ' ' ILE . 21.9 ttt180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.6 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.3 -45.06 81.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 72.14 111.182 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.2 p -63.71 -33.24 75.2 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.313 -0.403 . . . . 71.03 111.836 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.9 -26.62 68.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 73.44 111.59 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -87.5 -9.43 54.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 74.43 111.088 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -107.99 -47.86 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 70.45 111.476 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 56.0 mtt85 -105.94 50.37 0.78 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.231 0.539 . . . . 75.0 110.813 -172.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -14.49 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.824 . . . . 75.32 111.945 -175.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -79.03 -18.67 53.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.96 -0.296 . . . . 73.21 111.324 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' HG3' ' CH2' ' A' ' 109' ' ' TRP . 19.5 mm-40 -97.0 24.4 6.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.404 . . . . 74.31 111.434 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.531 ' HB3' ' NE2' ' A' ' 112' ' ' HIS . 4.1 pp -137.97 149.92 65.69 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.466 -0.334 . . . . 71.25 110.851 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.548 ' HG2' ' HG2' ' A' ' 83' ' ' MET . 74.4 Cg_endo -76.97 164.94 29.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.655 2.237 . . . . 74.21 111.567 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.514 ' HB2' ' HA2' ' A' ' 43' ' ' GLY . . . -77.51 61.78 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.373 0.606 . . . . 75.24 111.514 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.556 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 24.6 ptt? -132.72 167.33 20.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.744 -0.662 . . . . 72.31 109.369 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.532 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 45.5 t0 -85.83 157.72 20.14 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 123.144 0.278 . . . . 73.54 110.394 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -132.75 118.93 19.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.076 0.465 . . . . 74.42 111.614 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.669 HG11 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -103.25 124.43 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 74.21 109.581 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -117.73 113.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.124 -0.489 . . . . 71.45 110.32 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 123.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.857 0.361 . . . . 72.3 110.643 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.13 137.56 32.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.102 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.595 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.0 mmpt? -91.68 171.38 9.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.779 0.323 . . . . 65.01 110.797 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -67.4 118.77 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.99 -0.55 . . . . 75.54 110.15 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.82 -0.36 21.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.434 -0.889 . . . . 51.33 112.474 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.11 -18.88 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.303 0.573 . . . . 64.14 110.921 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 56' ' ' VAL . . . -72.64 -22.56 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 72.23 111.574 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.74 72.97 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.196 0.522 . . . . 55.24 110.617 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -139.99 122.27 15.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 74.53 110.566 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.481 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 28.5 t70 -74.32 152.19 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.901 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -54.12 -36.46 63.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.092 -0.504 . . . . 73.31 111.811 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.3 -44.31 53.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 73.12 110.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.7 -16.45 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 74.4 111.778 -176.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 70.6 mt -55.97 -47.95 76.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.669 0.271 . . . . 75.34 111.026 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.9 t -72.36 -27.28 62.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.409 . . . . 63.13 110.567 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -70.82 -46.3 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 75.12 110.012 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.31 62.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 61.43 111.155 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.417 ' O ' HD11 ' A' ' 105' ' ' LEU . 2.5 tm? -63.19 -37.35 86.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 73.52 110.898 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.492 ' OE2' ' HD2' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -67.75 -20.37 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.876 -0.329 . . . . 71.24 110.684 -176.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.492 ' HD2' ' OE2' ' A' ' 106' ' ' GLU . 22.5 mmmt -65.96 -39.66 90.6 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.231 -0.655 . . . . 72.43 109.231 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.57 -40.6 80.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.444 -0.798 . . . . 74.34 110.126 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.485 ' CH2' ' HG3' ' A' ' 79' ' ' GLU . 47.2 t-105 -57.41 -52.1 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 74.45 111.11 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -62.74 -39.64 94.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 73.34 111.38 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.688 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 24.7 tpp180 -66.55 -46.08 77.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.094 0.473 . . . . 73.52 110.184 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . 0.531 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t-80 -63.84 -42.13 97.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.21 -0.904 . . . . 71.13 111.524 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.13 -33.9 77.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 64.35 111.436 -175.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -92.92 -14.35 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.783 0.29 . . . . 54.11 111.783 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.8 -42.9 97.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.982 0.42 . . . . 75.11 110.943 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.42 7.66 9.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 51.34 111.388 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -137.16 21.44 3.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.775 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.84 116.83 4.41 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.51 111.765 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.326 -0.845 . . . . 70.24 109.825 -179.593 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.706 0.289 . . . . 72.04 110.428 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.88 136.36 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.421 . . . . 73.34 110.309 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -144.92 -157.0 0.75 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.049 -0.352 . . . . 74.22 110.049 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.468 HD21 ' H ' ' A' ' 4' ' ' LEU . 2.8 mm? -63.56 -17.3 62.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.904 0.383 . . . . 73.44 111.528 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.04 149.74 47.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.567 -0.531 . . . . 64.22 109.567 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.589 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 82.1 m-85 -92.28 146.15 32.05 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.861 0.363 . . . . 74.41 110.816 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.04 -26.57 73.64 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.602 2.201 . . . . 72.21 112.196 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -96.07 11.67 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.069 0.461 . . . . 74.32 110.206 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.589 ' HB2' ' HB2' ' A' ' 6' ' ' PHE . 20.7 tt0 -108.6 -18.11 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 71.41 111.04 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.43 25.64 0.5 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.213 0.53 . . . . 73.23 112.105 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -111.82 107.71 16.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.98 0.419 . . . . 75.41 110.396 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.5 162.3 36.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.899 -0.591 . . . . 65.33 110.017 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.92 138.11 51.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.519 -0.309 . . . . 74.32 110.41 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.9 p 60.27 164.13 0.1 OUTLIER Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.248 1.019 . . . . 73.04 112.321 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.16 91.89 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.246 1.964 . . . . 73.23 112.114 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 t -139.31 116.78 11.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.502 . . . . 71.22 110.464 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -99.07 -14.13 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.943 -0.571 . . . . 75.1 109.507 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' HD1' HG23 ' A' ' 86' ' ' VAL . 85.5 t80 -60.14 -52.68 64.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 75.02 110.891 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -74.3 -16.48 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.197 0.522 . . . . 63.25 110.844 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -82.72 -42.31 18.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.275 -0.421 . . . . 73.51 110.432 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.37 -18.85 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.987 0.422 . . . . 72.12 110.34 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.28 -12.99 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.607 . . . . 73.43 111.127 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.74 -36.04 82.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.184 0.516 . . . . 75.33 110.109 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -153.88 81.47 4.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.063 -0.717 . . . . 73.12 109.063 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -85.94 122.54 2.25 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.652 2.235 . . . . 73.14 112.581 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -99.44 114.28 27.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.534 -0.543 . . . . 71.23 109.534 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -88.07 109.6 19.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.639 . . . . 74.02 109.865 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.96 13.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 61.43 110.335 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.18 -159.9 27.96 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.681 -0.771 . . . . 63.45 112.275 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.454 HG21 ' HD2' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -74.25 145.32 82.83 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.451 0.3 . . . . 65.31 110.357 -179.143 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HD2' HG21 ' A' ' 30' ' ' THR . 28.4 Cg_exo -62.89 -45.44 13.16 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.62 2.213 . . . . 74.35 112.692 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.591 HE21 HD12 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -59.46 -47.01 87.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.979 0.419 . . . . 75.2 111.154 -178.378 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 tt -108.73 94.83 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 63.45 109.287 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -85.79 109.49 18.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.717 -0.674 . . . . 74.51 111.825 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.77 106.14 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 74.14 109.827 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.96 111.78 23.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 74.14 109.525 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.66 164.79 20.96 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.274 -0.965 . . . . 62.14 112.553 -177.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -151.67 139.6 20.0 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.712 -0.477 . . . . 73.34 109.712 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.3 tp -83.48 88.24 7.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.289 -0.634 . . . . 70.03 109.289 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -102.72 170.12 8.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 64.04 110.237 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -74.37 -13.27 60.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 74.32 110.315 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.79 -59.83 2.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 75.03 110.044 173.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.528 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 58.17 54.1 40.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.133 -0.555 . . . . 64.11 112.059 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -95.33 101.97 8.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.239 . . . . 75.0 110.382 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.6 Cg_exo -72.67 89.54 0.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.847 2.365 . . . . 74.44 112.032 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -153.48 142.45 21.23 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.103 -0.703 . . . . 72.23 109.103 177.326 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.461 HD11 ' HB ' ' A' ' 69' ' ' THR . 13.7 tt -87.25 136.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.067 0.46 . . . . 54.34 110.863 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.84 99.39 0.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.941 -0.647 . . . . 64.32 111.504 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD13 HG21 ' A' ' 69' ' ' THR . 59.9 tp -87.53 109.51 19.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.181 0.515 . . . . 73.31 111.245 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -103.24 87.17 2.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.11 -0.7 . . . . 75.33 109.11 174.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 p -94.62 120.17 43.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.591 -0.731 . . . . 54.32 110.924 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.74 116.84 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.943 -0.571 . . . . 62.51 109.701 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -65.66 -12.75 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 63.21 111.829 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.577 ' HB2' ' HZ2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -87.37 -11.38 49.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.771 0.319 . . . . 75.35 110.757 179.374 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -93.72 -9.88 36.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 62.32 110.981 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.564 HG13 ' HB2' ' A' ' 62' ' ' ARG . 44.2 t -100.69 151.69 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.943 -0.571 . . . . 70.53 110.012 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.4 ttt-85 -56.83 -64.57 0.83 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.484 0.49 . . . . 63.21 111.94 -177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 58' ' ' ARG . 28.0 mmt180 -137.88 -69.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.076 0.398 . . . . 72.43 112.076 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.01 -50.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.505 -0.316 . . . . 71.13 111.332 -171.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.26 -30.98 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.449 0.642 . . . . 74.03 109.951 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' HB3' ' HB2' ' A' ' 94' ' ' ALA . 20.4 mp0 -76.64 -24.97 53.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.009 -0.996 . . . . 73.31 110.38 -176.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.564 ' HB2' HG13 ' A' ' 56' ' ' VAL . 38.3 ttp180 -76.07 -35.82 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.556 . . . . 72.01 110.501 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.35 -30.9 69.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 72.34 110.085 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.8 -37.11 80.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 72.0 110.111 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.36 -40.44 82.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.928 -0.578 . . . . 74.01 110.462 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.42 -27.41 68.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 74.41 110.71 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -74.3 -52.95 10.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 72.21 110.612 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.99 -50.77 65.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.002 -0.544 . . . . 73.05 110.731 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.522 HG21 HD13 ' A' ' 49' ' ' LEU . 13.6 p -62.67 -54.87 32.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 71.22 112.035 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -78.61 9.97 3.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.747 0.647 . . . . 74.23 112.747 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -111.25 -45.53 3.41 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.872 -0.418 . . . . 62.54 109.872 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 p -68.91 -48.25 63.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 74.54 110.9 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.35 15.78 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 73.22 111.129 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -111.25 -32.04 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.085 0.469 . . . . 65.02 109.882 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.06 -30.15 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 65.21 109.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 4.4 mmp_? -110.31 142.46 41.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.875 -0.787 . . . . 64.23 108.875 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 177.98 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 72.42 111.191 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.3 -36.75 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.696 . . . . 72.43 110.642 -173.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -72.07 -23.96 61.43 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.512 -177.451 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.8 pp -91.27 146.98 34.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.739 0.304 . . . . 75.55 110.535 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 3.3 Cg_exo -81.76 -164.63 0.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.088 2.525 . . . . 73.0 111.782 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.508 ' HB3' ' HA3' ' A' ' 43' ' ' GLY . . . -63.92 111.12 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.834 0.349 . . . . 75.53 110.93 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.9 ttm -148.79 111.81 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.269 -0.423 . . . . 64.33 110.502 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -95.56 138.2 33.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.623 -0.51 . . . . 72.21 109.623 173.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.8 169.12 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.3 111.064 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.559 HG23 ' HD1' ' A' ' 18' ' ' PHE . 9.1 p -132.26 141.23 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.688 -0.687 . . . . 74.33 109.758 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.59 121.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.274 -0.269 . . . . 72.13 110.274 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.88 131.73 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 71.44 110.412 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.4 125.31 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 71.51 111.213 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.07 179.58 6.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.901 -0.591 . . . . 64.31 110.216 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -84.16 128.33 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.89 0.376 . . . . 71.34 110.659 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.88 -11.72 24.97 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.912 -0.661 . . . . 42.51 112.029 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -22.7 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 61.14 110.84 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.494 ' HB2' ' HB3' ' A' ' 61' ' ' GLU . . . -87.95 15.06 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.883 -0.599 . . . . 60.25 111.734 -176.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.35 -8.89 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.459 . . . . 73.14 110.821 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.591 HD12 HE21 ' A' ' 32' ' ' GLN . 90.9 mt -77.42 133.34 38.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.16 -0.473 . . . . 75.0 110.621 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.45 -179.66 6.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.167 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HA ' ' HG ' ' A' ' 101' ' ' LEU . 3.8 m-20 -61.57 -36.31 80.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.585 -0.279 . . . . 74.3 111.471 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.595 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 4.4 tpm_? -62.44 -50.81 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.699 -0.482 . . . . 75.42 109.699 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.53 -49.65 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 72.43 111.653 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.414 ' HG ' ' HA ' ' A' ' 98' ' ' ASN . 4.6 pp -70.04 -25.17 63.44 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.822 -0.351 . . . . 73.42 111.228 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t -72.71 -36.29 67.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.046 0.451 . . . . 74.23 109.948 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 13.7 mm-40 -74.02 -41.0 62.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 176.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.727 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -63.25 -23.99 67.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.712 -0.676 . . . . 63.42 111.199 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.18 -45.18 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 63.22 110.524 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -20.84 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 75.01 110.349 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.727 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.7 mmmt -66.58 -54.28 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.697 -0.483 . . . . 74.01 109.697 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 109' ' ' TRP . 4.0 pp -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 62.53 111.349 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TRP . . . . . 0.405 ' N ' HD11 ' A' ' 108' ' ' LEU . 37.0 t-105 -65.78 -58.68 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 73.42 110.886 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.13 -23.59 65.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 73.32 110.657 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 4.7 tpp180 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.345 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.76 -21.43 28.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.2 t -58.13 -46.79 85.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 75.04 110.414 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -87.68 5.55 39.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.074 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.21 -45.49 4.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.949 0.404 . . . . 72.34 110.158 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.55 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 74.25 110.794 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.68 86.2 2.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.177 0.513 . . . . 70.24 109.825 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.92 -162.71 30.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.484 -0.78 . . . . 73.41 111.395 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.755 -0.641 . . . . 74.1 110.771 -177.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.9 pp0? . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.243 0.068 . . . . 72.2 111.104 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.26 -40.33 97.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.162 0.506 . . . . 73.14 110.278 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 23.9 m -72.55 -44.68 61.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.942 -0.572 . . . . 62.42 110.06 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -58.58 -44.28 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.407 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.89 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 9.4 p -69.73 -37.75 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.573 0.225 . . . . 72.13 110.917 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -72.92 -21.19 60.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.551 -0.295 . . . . 71.51 111.351 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.6 mm100 -70.32 -48.36 56.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.603 0.24 . . . . 73.23 110.74 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.54 79.66 24.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-O 121.191 0.519 . . . . 63.1 110.977 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.545 ' HB2' HD12 ' A' ' 36' ' ' LEU . 95.6 Cg_endo -98.84 128.2 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 123.141 2.561 . . . . 75.13 112.61 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.32 106.86 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.497 -0.557 . . . . 73.33 109.497 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -77.51 115.15 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 75.1 110.674 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' HB3' ' ND1' ' A' ' 112' ' ' HIS . . . -148.04 101.11 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.776 -0.647 . . . . 65.35 110.147 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.62 177.79 40.9 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.894 -0.594 . . . . 65.22 111.824 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.428 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -65.63 140.58 97.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 122.334 0.254 . . . . 74.42 110.342 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 10.7 Cg_endo -53.87 -22.99 25.69 Favored 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 123.343 2.695 . . . . 65.42 113.799 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -97.19 -4.27 39.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 73.33 111.649 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 tt -152.39 100.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.601 0.715 . . . . 74.42 109.425 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.5 m -90.66 107.05 18.92 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.748 -0.66 . . . . 74.33 111.943 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.2 mp -87.38 105.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.346 -0.612 . . . . 64.11 109.346 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -85.32 158.65 20.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 63.23 110.414 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.5 117.01 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.727 -0.749 . . . . 44.34 111.979 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.89 ' HD2' ' HA ' ' A' ' 21' ' ' VAL . 3.8 tpm_? -100.15 112.63 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.229 -0.285 . . . . 74.55 110.229 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.37 94.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 74.04 109.833 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -152.14 104.38 2.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.559 -0.746 . . . . 73.11 110.121 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 t -82.12 83.81 7.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.493 0.663 . . . . 63.13 109.608 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -94.13 -36.27 12.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.443 -0.798 . . . . 74.13 109.343 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.18 54.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.832 -0.699 . . . . 75.21 111.441 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -119.35 95.55 49.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.66 -0.496 . . . . 71.12 109.66 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 1.1 Cg_endo -82.17 117.44 2.84 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.984 2.456 . . . . 52.11 111.563 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HE ' ' HB2' ' A' ' 46' ' ' ARG . 4.6 ptm180 -127.32 152.25 47.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.451 -0.34 . . . . 74.12 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -110.04 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.631 . . . . 71.41 109.688 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.08 70.46 0.21 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.399 -0.905 . . . . 61.52 112.414 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' A' ' 66' ' ' LYS . 60.6 tp -69.53 114.17 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.492 . . . . 54.12 110.759 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 m -108.78 129.87 55.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.508 -0.769 . . . . 73.34 109.774 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.4 138.9 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 32.51 110.57 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.89 157.77 15.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.53 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.51 -16.26 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.294 0.569 . . . . 74.14 110.742 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 19.7 ptmt -83.89 -21.76 31.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 63.12 110.469 176.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.509 ' OD1' ' HG3' ' A' ' 54' ' ' LYS . 4.1 m-20 -84.11 -51.33 7.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.542 . . . . 64.55 110.039 -177.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -111.97 99.53 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.858 -0.794 . . . . 65.33 108.858 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 26.3 tpt180 -82.36 -20.63 36.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.94 -0.573 . . . . 71.32 111.583 -172.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 58' ' ' ARG . 13.8 tpt180 -86.99 112.25 21.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.743 -0.466 . . . . 73.31 109.743 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.59 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.691 -0.686 . . . . 50.23 112.792 -173.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.22 -33.47 73.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.852 0.358 . . . . 72.31 111.27 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.529 ' O ' HG12 ' A' ' 65' ' ' ILE . 24.4 mm-40 -76.91 -11.82 59.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.499 -0.318 . . . . 71.34 110.858 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -61.73 -43.8 98.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.067 -0.716 . . . . 71.25 109.067 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.56 -31.88 71.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.119 -0.946 . . . . 65.12 109.634 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 14.9 tpp180 -62.12 -44.55 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.472 -0.785 . . . . 73.14 110.373 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 61' ' ' GLU . 50.1 mm -65.05 -45.33 94.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.809 -0.632 . . . . 73.22 111.081 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.637 ' HG2' HD23 ' A' ' 49' ' ' LEU . 36.8 mtmt -69.2 -29.96 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.714 0.292 . . . . 61.44 110.756 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -60.25 -59.53 5.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.02 0.438 . . . . 52.33 110.17 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -49.72 67.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.084 -0.962 . . . . 72.25 110.92 -174.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.422 ' OG1' HD22 ' A' ' 49' ' ' LEU . 17.0 p -68.14 -57.68 5.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.472 . . . . 74.04 111.96 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.94 -37.7 88.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.555 -0.293 . . . . 64.35 111.689 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 1.2 tt0 -70.61 -26.13 63.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 73.03 110.66 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.1 m -75.57 -42.69 51.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.817 0.341 . . . . 54.21 110.372 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.75 -17.63 64.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 72.42 111.77 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 7.2 ptm180 -89.76 -13.48 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 61.34 110.828 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -110.17 -23.12 11.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.94 0.4 . . . . 72.13 111.189 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.03 40.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.272 0.558 . . . . 73.14 109.978 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -69.19 -17.04 63.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.278 -0.874 . . . . 72.2 111.462 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -77.19 -38.45 51.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.285 0.564 . . . . 70.43 110.584 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -82.28 -36.8 26.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 72.12 111.704 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.0 pp -84.27 140.66 39.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.372 . . . . 60.43 111.559 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 1.7 Cg_endo -85.76 174.51 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.5 2.8 . . . . 74.23 112.02 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . . . -86.69 71.25 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.229 0.538 . . . . 74.04 111.05 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 66.5 mtt -127.89 -176.27 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.666 -0.697 . . . . 70.42 110.513 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -96.14 120.92 37.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.964 -0.562 . . . . 75.14 109.737 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -122.94 88.94 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.357 0.599 . . . . 73.21 111.233 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.438 ' CG2' HG11 ' A' ' 21' ' ' VAL . 78.2 t -86.71 104.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.759 -0.655 . . . . 74.42 109.555 172.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 61.7 t -91.99 130.81 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.799 -0.637 . . . . 61.22 109.984 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.57 107.15 22.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.054 0.454 . . . . 44.3 110.49 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -72.43 123.86 23.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.605 . . . . 74.3 109.769 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.571 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 10.8 mmpt? -85.64 172.51 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.978 0.418 . . . . 74.32 110.421 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.72 105.89 6.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.829 -0.804 . . . . 75.3 108.829 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.18 -20.61 2.1 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.587 -0.816 . . . . 72.05 112.556 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 89' ' ' ALA . 13.5 p -65.05 -27.63 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.27 0.557 . . . . 74.24 110.915 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.46 14.35 13.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 54.41 111.054 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.09 -9.21 31.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.526 0.679 . . . . 74.55 109.617 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.12 171.95 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.327 -0.851 . . . . 63.22 111.686 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 15.9 t70 -89.71 158.61 17.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 74.33 109.293 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -56.54 -34.65 67.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.249 0.547 . . . . 74.03 110.477 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 18.4 ttp180 -68.43 -45.0 73.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.665 . . . . 71.12 110.154 175.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.1 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.589 -0.732 . . . . 54.31 111.832 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.2 mt -61.41 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.03 0.443 . . . . 50.44 110.145 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.6 m -72.84 -31.06 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 62.14 110.324 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 11.3 mm-40 -66.54 -29.83 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 73.11 111.16 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.4 -13.27 38.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 73.33 111.071 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.13 -51.76 65.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.537 . . . . 75.11 110.932 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.535 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -65.29 -25.29 67.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.497 -0.32 . . . . 73.53 110.706 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.535 ' HD2' ' OE1' ' A' ' 106' ' ' GLU . 28.6 mmmt -66.17 -52.54 47.27 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.319 -0.4 . . . . 74.43 110.189 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' HB2' HD13 ' A' ' 35' ' ' ILE . 4.3 pp -73.76 -31.61 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 64.32 110.898 -178.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -60.82 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.474 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.38 -37.39 85.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 54.32 110.815 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -55.1 -53.67 52.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 74.54 111.202 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.445 ' ND1' ' HB3' ' A' ' 28' ' ' ALA . 2.2 t60 -80.45 -27.25 37.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.629 -0.428 . . . . 72.33 110.668 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 49.6 t -63.27 -42.34 99.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 64.32 110.349 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.04 -34.74 75.34 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.413 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.8 tp -81.27 -31.37 33.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.887 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.42 -23.98 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.994 0.426 . . . . 73.45 111.034 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 25.4 mmm180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 44.3 110.134 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.409 HE21 ' CG ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 109.827 -0.435 . . . . 64.53 109.827 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -73.99 -20.19 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.939 -0.573 . . . . 72.11 110.735 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -85.01 -39.59 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.32 0.581 . . . . 72.22 109.661 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.11 -35.63 76.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 71.24 110.899 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.793 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 7.3 p -70.97 -18.54 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.12 111.37 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -75.19 -23.49 57.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.379 -0.373 . . . . 65.22 111.27 -175.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.45 -68.41 0.3 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.014 0.435 . . . . 64.22 110.927 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.622 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 53.3 tt0 -151.34 88.07 4.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.947 -0.569 . . . . 55.31 109.498 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.518 ' HB3' HG22 ' A' ' 21' ' ' VAL . 92.9 Cg_endo -83.54 148.58 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.808 2.339 . . . . 73.44 113.319 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -74.54 110.11 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.855 -0.794 . . . . 64.45 108.855 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 27' ' ' ARG . 21.7 ttm180 -74.2 101.03 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.417 0.448 . . . . 73.4 110.463 -176.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -107.95 147.12 31.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.335 -0.393 . . . . 74.31 110.353 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.455 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 97.14 -131.36 10.58 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.505 -0.855 . . . . 4.42 112.607 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -133.9 168.89 15.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.058 -0.349 . . . . 61.21 110.058 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 43.3 Cg_endo -69.98 0.13 6.26 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 74.01 112.548 174.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.41 -49.59 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.472 0.654 . . . . 42.42 109.461 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -120.54 99.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.644 0.735 . . . . 73.22 109.088 172.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 m -101.8 112.66 25.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.354 -0.839 . . . . 74.12 111.459 -172.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.597 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 4.6 mp -92.58 115.09 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.207 -0.664 . . . . 63.45 109.207 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.692 ' HB2' HG13 ' A' ' 86' ' ' VAL . 83.8 mt -96.32 119.63 35.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.372 . . . . 73.44 110.228 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.81 136.71 13.19 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.272 -0.965 . . . . 73.34 112.969 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.793 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mmm180 -143.97 112.74 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.238 -0.282 . . . . 74.33 110.238 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.29 125.92 27.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.093 -0.503 . . . . 64.54 110.409 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -126.17 146.74 49.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.63 32.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 73.43 112.627 -173.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -107.01 -20.22 13.38 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.057 -0.349 . . . . 64.02 110.057 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.4 25.44 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 111.31 -0.716 . . . . 72.41 111.31 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -106.66 104.05 49.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.623 0.249 . . . . 71.43 110.509 -171.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -88.72 95.82 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.483 2.122 . . . . 72.53 112.841 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 21.3 mmt180 -141.96 167.61 21.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.966 -0.561 . . . . 74.52 110.456 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 tt -122.02 137.43 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 75.43 109.543 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.6 77.85 0.36 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.549 -0.834 . . . . 64.32 112.201 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -70.89 108.14 4.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.035 0.445 . . . . 54.41 110.36 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -98.97 111.01 23.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.825 -0.625 . . . . 73.21 110.485 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.754 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 30.6 m -128.65 135.62 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.073 -0.512 . . . . 73.42 110.783 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.97 146.14 23.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.693 -0.484 . . . . 64.24 109.693 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.27 5.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.485 0.55 . . . . 64.42 112.485 -174.203 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -101.96 -31.37 10.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.118 -0.233 . . . . 75.05 111.048 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 6.7 p-10 -105.44 -28.05 11.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 63.25 110.867 -178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.754 ' HB ' ' HB ' ' A' ' 51' ' ' VAL . 52.1 t -136.64 98.67 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 172.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -118.78 -33.09 4.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.426 0.528 . . . . 73.44 112.426 -167.237 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.717 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 60.3 mtt180 -85.39 148.41 26.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.759 0.314 . . . . 75.14 110.654 -174.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.4 87.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 60.0 110.387 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.98 -31.87 71.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.736 -0.666 . . . . 75.13 110.636 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.717 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 55.2 mt-10 -73.63 -44.7 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 70.55 110.151 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.01 -12.24 60.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.384 -0.371 . . . . 65.15 111.596 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.0 -48.98 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.414 -0.588 . . . . 71.34 109.414 170.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -54.62 -51.44 65.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.874 -1.057 . . . . 75.24 111.899 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 61' ' ' GLU . 35.8 mm -66.42 -28.25 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 75.22 110.974 -175.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 50.9 mttp -66.35 -46.41 76.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.693 0.283 . . . . 72.05 110.936 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -65.87 -32.1 73.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.848 0.356 . . . . 71.32 110.63 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.55 -45.7 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.957 -0.565 . . . . 44.11 110.045 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -81.63 -51.96 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.287 0.477 . . . . 61.14 112.287 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -66.84 -31.31 71.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.021 0.378 . . . . 62.43 112.021 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -65.57 -35.66 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.525 -0.546 . . . . 74.54 109.525 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -70.38 -33.91 71.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.839 -0.618 . . . . 55.04 110.376 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.597 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 45.1 m-85 -93.32 17.31 11.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 72.31 111.201 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -128.52 -50.21 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 61.54 110.362 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.21 -26.38 42.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.932 -0.576 . . . . 65.21 111.101 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.3 44.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.265 0.555 . . . . 72.3 109.593 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' CD ' ' H ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -76.27 -29.79 57.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.114 -0.948 . . . . 54.03 112.831 -170.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -84.27 22.55 1.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.046 0.45 . . . . 75.5 111.276 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -143.96 30.15 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.552 -0.749 . . . . 64.01 109.926 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.9 pp -145.01 154.65 54.99 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.098 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.7 Cg_endo -86.15 163.55 10.02 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.214 2.61 . . . . 64.45 112.044 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.59 88.39 7.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 64.2 110.977 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -151.74 163.74 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.934 -0.576 . . . . 74.31 110.375 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 6.8 m-20 -73.6 118.59 16.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.303 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -91.75 93.83 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.314 -0.403 . . . . 74.31 110.642 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.9 p -84.56 112.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.581 0.705 . . . . 55.04 109.773 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.7 114.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 72.35 110.233 -176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.3 108.04 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.351 -0.386 . . . . 54.13 110.007 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB1' HG21 ' A' ' 93' ' ' VAL . . . -87.68 113.99 23.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.037 -0.528 . . . . 51.35 110.188 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.2 mmpt? -85.26 173.03 10.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 70.5 110.192 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 20.3 pttp -68.37 113.2 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.372 0.606 . . . . 60.12 110.541 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.521 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 143.11 -31.26 1.97 Allowed Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.549 -0.75 . . . . 72.33 112.415 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.548 HG21 ' HB1' ' A' ' 89' ' ' ALA . 35.5 m -60.97 -30.51 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.71 0.291 . . . . 73.13 111.683 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.93 -4.23 56.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 63.22 110.814 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.63 -29.49 13.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.507 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 97.4 mt -53.95 137.35 39.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.664 -0.698 . . . . 74.21 111.454 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.569 ' OD2' ' HG2' ' A' ' 99' ' ' ARG . 24.5 t70 -76.06 168.95 19.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.717 -0.674 . . . . 74.44 110.327 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -56.06 -40.42 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.328 . . . . 64.25 110.835 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.569 ' HG2' ' OD2' ' A' ' 97' ' ' ASP . 30.0 ptt180 -75.32 -30.23 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.909 0.385 . . . . 65.43 110.702 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.79 74.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.912 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.01 -26.1 61.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.318 . . . . 62.34 110.402 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.0 t -68.67 -37.97 80.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.686 -0.487 . . . . 62.31 109.686 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -80.29 7.46 9.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 74.44 110.942 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.593 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -115.04 -35.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.098 -0.501 . . . . 64.54 110.421 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.1 -45.49 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 64.02 111.477 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -72.18 -16.07 61.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.951 -0.3 . . . . 55.13 111.101 -175.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.7 mmmt -73.97 -35.05 64.46 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.41 -0.589 . . . . 71.23 109.41 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 104' ' ' ALA . 1.8 mm? -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.038 -0.528 . . . . 64.01 110.236 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.594 . . . . 74.35 112.122 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.6 mtt-85 -65.9 -42.27 90.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.654 -0.418 . . . . 72.03 110.254 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 22.1 tpp180 -69.87 -39.17 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.705 -0.48 . . . . 74.24 109.705 175.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 25.9 t60 -54.88 -46.34 74.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.474 -0.785 . . . . 74.41 111.056 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 7.4 t -73.02 -24.83 60.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 63.45 111.299 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -88.55 -38.56 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 52.41 111.702 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 28' ' ' ALA . 47.9 tp -66.14 -43.56 86.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.409 . . . . 74.31 111.741 -174.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.19 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.177 0.436 . . . . 73.45 112.177 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.759 0.314 . . . . 73.22 110.854 -178.874 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' NE2' ' HB3' ' A' ' 84' ' ' ASP . 18.4 mt-30 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 120.193 0.044 . . . . 62.24 111.094 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -52.76 -38.07 60.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.293 0.37 . . . . 71.53 111.518 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -77.06 -30.49 55.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 52.53 111.049 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -82.67 -43.16 17.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.071 0.462 . . . . 75.1 110.914 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG22 ' HB3' ' A' ' 25' ' ' PRO . 9.5 p -70.11 -19.3 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.564 . . . . 73.23 110.219 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.13 -23.79 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 71.44 110.36 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -81.59 -63.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 73.54 110.106 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -140.0 101.87 6.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.604 . . . . 71.44 110.553 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.575 ' HB3' HG22 ' A' ' 21' ' ' VAL . 65.7 Cg_endo -96.64 156.68 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.478 2.785 . . . . 62.33 113.389 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -83.68 98.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.825 -1.176 . . . . 74.11 107.825 167.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -73.54 113.84 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.653 -172.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.31 -176.48 3.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.676 -0.693 . . . . 74.01 110.166 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.11 -145.76 17.8 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.683 -0.77 . . . . 70.35 112.301 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.0 p -138.14 170.59 10.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.129 -0.323 . . . . 70.4 110.129 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 34.6 Cg_exo -62.27 -16.68 52.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.588 2.192 . . . . 33.44 112.606 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -85.16 -40.64 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.046 0.45 . . . . 73.41 110.411 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.503 HD13 HD21 ' A' ' 108' ' ' LEU . 11.4 tt -144.76 119.33 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.794 -0.639 . . . . 62.21 110.012 -177.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 m -102.37 132.52 48.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.934 -0.576 . . . . 72.34 111.446 -172.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 87' ' ' VAL . 3.0 mp -110.81 123.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.917 0.389 . . . . 74.23 110.228 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 111.8 24.03 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.313 -0.625 . . . . 64.45 109.313 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.471 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -109.77 138.65 14.96 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.193 -1.003 . . . . 64.35 114.046 -174.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 21.5 mmt180 -147.99 156.94 43.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.427 -0.953 . . . . 75.21 108.427 169.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -122.52 136.24 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.302 0.572 . . . . 61.22 111.823 -171.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -157.68 134.03 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 74.23 108.7 173.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.95 82.05 6.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.276 0.56 . . . . 71.04 109.933 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.1 tp -99.61 -12.86 19.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 73.31 110.301 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.87 -75.42 2.37 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.722 -0.672 . . . . 74.32 111.816 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.4 p-80 -86.88 116.03 64.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 73.21 110.198 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 76.1 Cg_endo -90.51 173.75 3.09 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.107 2.538 . . . . 62.11 113.772 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.524 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 3.0 mmp_? -123.91 174.88 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.473 -0.936 . . . . 64.32 108.473 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 47' ' ' ILE . 11.2 tt -135.45 103.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.741 0.781 . . . . 74.4 110.175 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.72 134.59 13.52 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.484 -0.78 . . . . 73.32 111.769 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 51' ' ' VAL . 41.1 tp -143.54 89.17 2.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.126 0.489 . . . . 44.25 110.037 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -89.45 91.03 8.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 40.53 110.211 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' HG ' ' A' ' 49' ' ' LEU . 83.9 t -96.65 111.86 27.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.528 -0.76 . . . . 53.34 109.959 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HB1' ' HG2' ' A' ' 54' ' ' LYS . . . -78.18 126.12 30.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.258 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -77.91 4.83 11.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.132 0.491 . . . . 74.23 110.894 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG2' ' HB1' ' A' ' 52' ' ' ALA . 21.6 ptmt -93.6 -21.42 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 74.33 110.261 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 33.7 p30 -116.07 -26.35 7.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.377 -0.374 . . . . 61.44 110.775 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 94' ' ' ALA . 45.8 t -122.5 85.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.507 0.67 . . . . 64.2 109.2 171.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -101.42 41.36 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.715 0.769 . . . . 73.41 109.64 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 3.1 mmp_? -108.84 162.69 13.95 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.793 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.45 -58.45 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.022 0.439 . . . . 74.45 111.445 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -92.1 -24.65 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.328 0.585 . . . . 73.44 109.867 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.608 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 22.0 mp0 -69.81 -26.69 64.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.314 -0.857 . . . . 70.33 109.16 175.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.14 -0.936 . . . . 71.04 108.859 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.416 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 86.1 m-20 -71.75 -32.27 67.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.315 -0.857 . . . . 73.44 110.368 177.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -59.14 -50.22 74.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.703 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -63.35 -38.55 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.348 0.594 . . . . 72.41 110.242 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 63' ' ' ASN . 37.0 ttpt -67.69 -39.26 84.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 62.01 111.531 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -80.98 -37.22 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.485 -0.325 . . . . 74.41 111.607 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -46.54 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.984 -0.376 . . . . 53.32 109.984 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 p -65.15 -48.18 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 71.25 111.388 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -64.01 -33.14 75.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 75.42 111.798 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.01 -57.91 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.496 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 17.5 p -64.66 -41.01 96.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 72.25 111.812 -175.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -55.11 -47.22 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.348 -0.387 . . . . 54.25 111.533 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 50.7 ttt180 -89.11 -21.06 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.358 -0.383 . . . . 55.33 111.173 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.08 -26.88 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 51.51 110.402 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 72' ' ' SER . 7.7 mmm180 -109.34 23.95 13.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 71.42 109.936 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 tp60 -68.82 -3.26 11.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.099 -0.5 . . . . 73.23 112.182 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -88.46 -27.54 21.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.919 0.39 . . . . 72.11 110.276 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -112.09 -13.3 13.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.882 -0.599 . . . . 74.03 110.152 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tt -105.23 111.53 65.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.724 -0.671 . . . . 72.23 109.232 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.12 139.35 89.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.882 2.388 . . . . 72.11 112.524 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.6 97.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.641 . . . . 74.33 111.282 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -154.05 162.46 41.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.696 . . . . 73.44 109.642 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.524 ' OD1' ' HB2' ' A' ' 46' ' ' ARG . 11.6 t70 -77.93 143.9 37.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.418 . . . . 74.45 111.955 -172.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.471 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 80.3 m-85 -141.38 139.49 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 75.15 109.602 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.61 111.53 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.023 0.44 . . . . 64.32 110.782 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.49 HG22 HG13 ' A' ' 35' ' ' ILE . 54.6 t -96.96 130.7 45.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.116 -0.493 . . . . 53.41 110.249 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 63.1 t -116.49 129.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.491 -0.322 . . . . 74.25 110.16 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.03 129.95 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.837 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -99.07 172.02 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.977 -0.556 . . . . 73.42 110.089 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 18.5 pttp -82.55 59.12 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.387 0.613 . . . . 74.3 111.331 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -164.41 14.64 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.567 -0.742 . . . . 74.25 112.382 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.54 5.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 121.252 0.549 . . . . 74.02 110.455 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.512 ' HB2' HG22 ' A' ' 56' ' ' VAL . . . -81.56 -30.65 32.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.273 0.559 . . . . 72.14 110.659 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -116.55 106.59 13.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.536 -0.756 . . . . 62.42 109.757 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.2 158.25 42.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.148 0.499 . . . . 72.34 111.932 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.83 162.4 14.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.394 -0.821 . . . . 75.44 109.921 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -62.07 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.738 -0.21 . . . . 70.23 111.478 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.88 -29.35 19.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 71.33 110.418 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.99 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 43.31 111.168 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.63 -24.39 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 74.22 110.861 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -79.69 -36.89 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.709 -0.478 . . . . 75.11 109.709 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.37 -44.61 94.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 74.15 110.287 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -73.53 -23.05 59.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.906 -0.588 . . . . 73.14 110.994 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.71 -43.89 90.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 74.4 110.61 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.502 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -71.29 -25.76 62.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.669 -0.412 . . . . 73.02 110.405 -177.729 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.502 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.502 . . . . 62.22 109.981 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 11.2 mp -74.53 -8.45 56.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.525 -0.761 . . . . 73.21 111.437 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -108.1 -45.79 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.336 . . . . 64.51 111.124 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 12.3 ttt180 -60.25 -48.02 83.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.459 -0.337 . . . . 63.11 111.086 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.93 -18.54 60.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.385 0.612 . . . . 74.45 110.182 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.1 t-160 -81.09 -47.88 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 74.45 110.621 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.28 -44.56 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 53.24 111.61 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.79 -19.94 64.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.888 0.375 . . . . 72.2 111.316 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -100.36 -46.26 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.781 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.74 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.372 0.508 . . . . 55.32 112.372 -173.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.614 0.245 . . . . 74.03 111.57 -179.77 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.659 0.266 . . . . 74.34 110.851 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -56.7 -24.93 52.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.69 -0.686 . . . . 72.13 112.165 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -89.06 -36.63 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 64.24 110.867 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -80.45 -48.82 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 71.23 112.086 -176.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 17' ' ' GLN . 17.3 m -73.41 -5.64 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 73.12 110.96 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -89.12 -17.89 28.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.146 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.65 -52.36 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.061 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -120.4 80.0 29.2 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.09 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HB2' HD12 ' A' ' 36' ' ' LEU . 90.3 Cg_endo -94.89 140.7 1.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.154 2.57 . . . . 50.3 113.012 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -104.83 139.35 39.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 74.23 109.948 171.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HG2' HG23 ' A' ' 34' ' ' THR . 4.2 tmm_? -87.14 100.15 12.45 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.386 -0.598 . . . . 73.42 109.386 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.25 144.89 30.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.466 . . . . 53.11 111.497 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 108' ' ' LEU . . . 89.21 -104.67 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.852 -0.613 . . . . 73.44 113.309 173.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.494 HG21 ' HB1' ' A' ' 104' ' ' ALA . 17.7 p -128.33 163.3 45.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.336 0.112 . . . . 75.01 111.132 -175.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -87.22 -10.29 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.816 2.344 . . . . 70.14 113.086 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -89.35 -35.38 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.123 0.487 . . . . 73.03 110.207 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tt -129.19 108.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.429 -0.952 . . . . 72.1 108.429 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 27' ' ' ARG . 7.1 m -96.1 123.95 39.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 73.24 112.04 -167.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.588 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 3.6 mp -99.98 119.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.294 -0.632 . . . . 72.2 109.294 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.642 ' HB2' HG13 ' A' ' 86' ' ' VAL . 2.9 mm? -106.65 135.72 47.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.828 0.347 . . . . 62.12 110.267 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . 174.0 -174.73 46.43 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.671 -0.776 . . . . 45.03 112.025 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 tpm_? -170.47 -71.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.765 0.426 . . . . 62.35 109.86 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.44 109.97 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.449 -0.575 . . . . 65.43 109.449 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -140.15 113.84 8.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.287 -0.415 . . . . 74.34 110.126 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -80.01 67.2 5.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 72.24 111.196 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.9 tp -78.97 -31.9 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 74.02 109.95 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 -16.13 60.08 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.915 -0.66 . . . . 71.42 112.01 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -126.24 113.81 23.69 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.893 -0.41 . . . . 65.44 109.893 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -61.65 106.56 0.44 Allowed 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.47 2.113 . . . . 73.02 110.712 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -130.84 145.06 51.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.026 0.441 . . . . 75.43 111.148 -173.401 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.49 HD11 ' HB ' ' A' ' 69' ' ' THR . 5.5 tt -98.28 110.65 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.713 -0.676 . . . . 64.14 110.256 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 62.92 3.48 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.841 -0.695 . . . . 73.24 111.93 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD13 HG21 ' A' ' 69' ' ' THR . 63.4 tp -63.04 116.08 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.92 0.391 . . . . 53.03 110.414 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 m -118.27 109.47 16.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 42.22 109.886 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.0 141.59 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 63.21 110.315 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.78 169.07 8.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.208 -0.451 . . . . 64.31 110.668 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -86.78 -2.52 58.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.156 0.503 . . . . 72.54 110.191 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -95.81 -29.89 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.104 -0.498 . . . . 73.22 111.655 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.51 ' ND2' HG23 ' A' ' 56' ' ' VAL . 2.6 p-10 -93.77 -25.0 17.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.805 0.336 . . . . 71.41 111.186 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' ND2' ' A' ' 55' ' ' ASN . 85.5 t -122.17 107.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.357 -0.609 . . . . 72.33 109.357 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -93.42 -29.52 15.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.776 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -97.22 136.27 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.153 0.501 . . . . 74.43 111.272 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.36 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 74.01 112.164 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 84.4 m-70 -70.62 -21.32 62.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.877 0.37 . . . . 53.01 111.222 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' ILE . 52.8 mm-40 -72.75 -33.62 66.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.848 -0.427 . . . . 74.4 109.848 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HB2' HG11 ' A' ' 56' ' ' VAL . 53.1 ttp180 -66.71 -28.74 68.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 74.11 109.739 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 15.9 m120 -61.79 -49.57 75.82 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.83 -0.623 . . . . 65.42 109.402 172.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.74 -40.56 97.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.392 -0.822 . . . . 72.15 111.224 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.5 mm -60.57 -43.3 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 71.33 111.142 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -74.04 -18.73 60.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 61.5 111.416 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 40.5 mtp85 -81.1 -36.28 30.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 71.23 110.692 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -73.0 -44.23 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 52.4 110.221 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.49 ' HB ' HD11 ' A' ' 47' ' ' ILE . 12.4 p -65.32 -49.56 68.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 75.24 111.535 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -81.19 11.48 4.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 71.33 110.842 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -99.38 -52.34 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.144 -0.687 . . . . 73.12 109.144 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -67.65 -46.04 73.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.518 -0.765 . . . . 70.41 111.034 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 81.0 m-85 -79.56 5.21 13.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 72.34 111.687 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -109.78 -51.17 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.389 -0.226 . . . . 75.25 110.389 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.95 -26.68 65.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 64.4 111.032 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.47 ' HG2' ' CD1' ' A' ' 109' ' ' TRP . 9.1 mpt_? -103.16 46.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 65.21 109.643 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -71.36 -18.03 62.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.259 -0.882 . . . . 62.41 111.369 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.24 10.54 41.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.603 -0.271 . . . . 74.41 110.749 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -98.4 12.46 34.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 75.21 110.723 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 2.5 pt? -153.95 150.95 23.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.388 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.8 Cg_exo -76.65 -157.42 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.031 2.487 . . . . 70.45 111.609 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.54 45.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 71.42 111.149 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.8 mmt -115.1 148.59 38.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.906 -0.588 . . . . 54.45 109.845 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -112.54 156.67 22.25 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.625 -0.509 . . . . 75.32 109.625 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 95.2 m-85 -138.37 137.58 37.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 74.1 110.65 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.8 p -88.74 128.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 75.24 109.849 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 35' ' ' ILE . 41.0 t -111.9 112.39 40.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.473 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.66 118.38 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.151 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -91.95 148.79 21.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.982 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 8.9 mmpt? -90.89 173.88 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.23 -0.441 . . . . 61.21 110.614 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 6.2 ttpm? -77.13 120.87 22.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.662 -0.496 . . . . 65.24 109.662 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.502 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 126.51 -23.72 5.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.33 -0.938 . . . . 72.42 112.253 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.593 HG11 ' HB1' ' A' ' 89' ' ' ALA . 10.2 p -61.1 -27.77 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.335 0.588 . . . . 60.13 110.667 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -82.91 3.1 31.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.548 -0.751 . . . . 63.15 110.921 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -133.4 26.3 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.421 0.629 . . . . 73.14 110.32 -176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 89.7 mt -103.57 156.91 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.921 -0.581 . . . . 73.34 111.387 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.79 142.69 57.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.142 173.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.83 -32.13 73.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.459 0.647 . . . . 72.42 109.36 173.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.9 ttp180 -58.5 -43.71 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.894 -1.048 . . . . 75.31 110.796 174.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.08 89.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 72.53 110.754 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.42 -40.19 96.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.879 -0.6 . . . . 64.24 110.365 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -61.08 -44.58 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.795 -0.639 . . . . 65.11 110.687 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 40.6 mm-40 -63.58 -41.51 98.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 73.4 110.84 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 30' ' ' THR . . . -72.32 -24.52 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 41.13 111.926 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tt -56.95 -46.48 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 74.11 111.092 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.591 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -71.75 -25.44 62.05 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.922 -0.311 . . . . 71.01 111.223 -176.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.591 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 18.9 mmmt -71.79 -41.74 67.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.959 -0.756 . . . . 71.41 108.959 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.52 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 32.6 tp -64.86 -47.71 76.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.205 -0.907 . . . . 74.21 110.43 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 40.1 t90 -53.03 -53.45 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 72.15 112.246 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -67.15 -40.77 86.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 74.3 112.204 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 111' ' ' ARG . 8.5 tpp180 -72.43 -32.79 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.044 -0.354 . . . . 74.13 110.044 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -58.58 -42.34 87.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 52.44 110.03 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.7 -55.21 14.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 63.53 110.956 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.88 -26.87 68.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 62.14 112.212 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.41 -46.79 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.801 -0.36 . . . . 74.54 111.097 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.13 71.15 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.041 0.385 . . . . 72.43 112.041 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 117' ' ' ARG . 24.0 mtt180 . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.729 -0.389 . . . . 74.55 110.944 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.2 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.482 0.182 . . . . 63.15 111.264 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -55.8 -29.9 60.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 74.23 111.456 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -105.15 -28.67 10.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.23 0.538 . . . . 71.34 110.392 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB3' ' HA ' ' A' ' 17' ' ' GLN . 5.6 t80 -69.35 -34.03 73.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 64.34 111.442 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 17' ' ' GLN . 16.3 m -89.75 -13.2 9.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.148 0.499 . . . . 71.52 110.435 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -77.39 -5.67 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 64.35 110.609 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -59.61 -40.75 88.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.203 0.525 . . . . 72.01 109.732 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -151.34 81.4 6.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.602 -0.726 . . . . 71.0 109.25 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.32 101.67 1.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.299 1.999 . . . . 73.54 112.346 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -77.81 118.59 20.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 63.44 110.164 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.411 ' HA ' HD23 ' A' ' 36' ' ' LEU . 2.2 tmt_? -83.47 117.01 22.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.492 -0.776 . . . . 75.11 110.874 -172.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.61 174.65 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.558 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA3' HD13 ' A' ' 35' ' ' ILE . . . 94.58 -142.32 15.98 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.69 -0.767 . . . . 62.43 112.838 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -109.66 151.99 42.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.053 -0.351 . . . . 73.4 110.053 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 9.7 Cg_endo -54.8 -39.73 88.37 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.249 1.966 . . . . 63.53 111.841 170.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -73.81 -38.4 64.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.186 -0.461 . . . . 65.42 111.023 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.458 HD11 HG22 ' A' ' 69' ' ' THR . 5.5 tt -128.63 108.56 17.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 50.52 110.059 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.553 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 22.2 m -93.07 129.96 38.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 62.41 111.738 -171.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' HA3' ' A' ' 29' ' ' GLY . 4.1 mp -109.69 118.2 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.27 -0.641 . . . . 64.44 109.27 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.756 ' HB2' HG13 ' A' ' 86' ' ' VAL . 96.8 mt -112.39 146.61 38.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 70.33 110.583 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.73 -178.32 37.26 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.253 -0.739 . . . . 53.5 111.253 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -147.24 -82.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.539 -0.541 . . . . 75.34 109.539 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 38' ' ' ARG . 37.0 tp 170.33 90.94 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.136 -1.061 . . . . 73.15 108.136 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 83' ' ' MET . 9.8 m120 -135.45 151.86 50.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.096 -0.502 . . . . 71.42 110.107 -169.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -96.53 94.69 7.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.765 0.317 . . . . 64.12 111.026 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.686 HD23 ' HA ' ' A' ' 83' ' ' MET . 4.4 mm? -99.41 -27.38 13.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.044 0.449 . . . . 73.44 110.614 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.54 -48.29 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.928 -0.653 . . . . 75.34 112.293 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -126.2 153.42 74.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.923 -0.399 . . . . 72.12 109.923 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.89 136.61 74.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.068 2.512 . . . . 73.14 112.995 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 47' ' ' ILE . 3.7 tmt_? -144.47 143.14 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.49 -0.93 . . . . 73.42 108.49 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.496 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 11.2 tt -136.78 140.4 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 52.41 110.849 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.13 106.57 0.69 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.288 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.8 tp -77.72 122.8 25.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 74.55 110.586 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.521 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 28.4 m -94.39 109.54 21.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.954 -0.566 . . . . 74.22 110.139 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.482 ' HA ' HD21 ' A' ' 55' ' ' ASN . 12.2 p -142.41 145.56 23.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.965 -0.561 . . . . 70.53 109.952 -179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.22 -175.19 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.458 -0.337 . . . . 74.24 110.496 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -82.7 13.73 3.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 74.31 110.849 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -114.76 -30.65 6.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.782 0.29 . . . . 63.35 111.782 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.482 HD21 ' HA ' ' A' ' 51' ' ' VAL . 24.3 p-10 -99.2 -37.07 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.14 -0.224 . . . . 65.11 111.401 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -129.6 100.96 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 71.44 109.963 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 57' ' ' ARG . 51.8 mtm180 -102.44 13.53 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.14 -0.482 . . . . 63.13 111.159 -178.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.46 124.57 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 70.51 110.107 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 62' ' ' ARG . . . -72.19 -34.29 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.732 0.641 . . . . 73.11 112.732 -170.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -68.89 -46.14 69.15 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.336 0.588 . . . . 73.21 109.947 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 65' ' ' ILE . 3.3 mp0 -58.87 -33.39 70.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.11 -0.95 . . . . 71.45 110.799 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 24.1 ttp180 -49.8 -44.39 49.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.819 -0.628 . . . . 74.22 111.21 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -88.57 0.99 55.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.412 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -103.17 -34.22 8.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.615 -0.266 . . . . 75.21 110.747 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 61' ' ' GLU . 47.3 mm -66.37 -41.74 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.13 110.823 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -75.96 3.09 10.93 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.821 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -77.7 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 72.32 109.854 174.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 68' ' ' LEU . 3.0 tm? -66.12 -38.01 87.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 75.2 110.719 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 33' ' ' ILE . 36.9 p -58.02 -49.79 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.399 . . . . 64.03 111.378 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -74.8 -31.91 61.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.843 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.31 -53.42 44.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.408 -0.36 . . . . 74.13 110.619 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -63.31 -36.87 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.371 . . . . 51.51 110.769 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.98 -45.03 96.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.545 -0.752 . . . . 73.21 111.031 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.01 -38.42 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.33 111.985 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.15 -22.06 66.87 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.856 0.688 . . . . 51.45 112.856 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 19.6 mmt180 -111.84 35.25 3.77 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.287 -0.258 . . . . 74.31 111.289 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -25.68 65.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.731 -0.668 . . . . 73.2 111.494 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -74.7 -20.15 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.357 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -118.12 41.68 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 64.52 111.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.1 pp -155.53 145.3 15.52 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 73.43 111.971 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.9 Cg_exo -81.13 162.6 20.31 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.001 2.467 . . . . 73.2 110.561 167.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.99 95.79 10.26 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.339 0.496 . . . . 75.31 112.339 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.686 ' HA ' HD23 ' A' ' 42' ' ' LEU . 3.8 mpp? -129.66 179.23 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.716 -0.674 . . . . 71.3 109.987 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.487 ' CG ' ' HD2' ' A' ' 46' ' ' ARG . 44.2 t0 -93.59 107.57 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.986 -0.746 . . . . 63.3 108.986 171.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.5 100.6 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.869 -0.605 . . . . 75.14 110.868 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.756 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.2 p -78.37 113.3 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.392 -0.822 . . . . 53.52 110.032 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.38 112.19 37.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.38 -0.827 . . . . 62.31 110.543 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.553 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 47.6 t -94.52 109.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.047 -0.524 . . . . 70.11 110.304 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -84.8 121.25 27.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.966 -0.561 . . . . 74.44 110.238 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.51 156.55 22.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.409 -0.359 . . . . 64.31 110.566 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -57.67 136.42 56.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 63.12 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.546 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 111.33 -24.51 15.69 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.923 -0.656 . . . . 74.4 111.781 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.544 HG11 ' HB1' ' A' ' 89' ' ' ALA . 8.2 p -59.22 -29.99 42.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 121.02 0.438 . . . . 74.45 111.356 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.28 17.53 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 64.12 111.239 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -147.26 32.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.773 0.797 . . . . 64.33 109.882 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 94.0 mt -105.21 167.45 9.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 74.02 111.146 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.41 160.27 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.622 -0.717 . . . . 65.44 110.236 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 27.6 t-20 -59.07 -27.87 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 63.34 110.972 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -66.66 -18.89 65.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.593 -0.276 . . . . 62.4 111.028 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.69 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.626 -0.261 . . . . 54.43 111.453 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 98' ' ' ASN . 4.3 pp -73.9 -22.19 59.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 61.51 110.607 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 t -76.33 -38.98 55.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 65.22 109.769 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -67.91 -49.33 62.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 64.31 110.246 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.67 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -62.28 -23.37 66.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.742 -0.663 . . . . 70.05 111.684 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 tp -58.49 -43.9 89.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 65.53 110.917 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.612 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -77.03 -29.79 55.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.638 -0.425 . . . . 73.2 110.009 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.67 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.8 mmmt -64.58 -30.31 71.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.161 0.505 . . . . 71.52 109.638 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 4.2 mm? -80.92 -61.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 65.1 110.687 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -57.91 -56.47 21.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.572 0.582 . . . . 73.03 112.572 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.17 -37.63 83.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.78 . . . . 72.33 111.075 -173.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -82.86 -35.57 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.906 -0.588 . . . . 72.25 111.164 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.569 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.0 t-160 -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.941 -174.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.2 t -64.21 -41.45 97.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.721 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -70.5 -22.7 62.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.02 111.103 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -85.15 -46.61 10.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.278 -0.419 . . . . 65.34 110.668 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -30.17 71.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 75.42 111.196 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.493 . . . . 64.14 110.069 177.393 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.4 pm0 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.816 -0.439 . . . . 72.25 109.816 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -62.74 -33.1 74.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.246 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.88 -0.6 . . . . 72.33 110.304 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 24.7 t80 -79.63 -36.01 38.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.026 -0.534 . . . . 63.52 110.442 -178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.904 ' HB ' ' HA2' ' A' ' 37' ' ' GLY . 18.9 m -74.75 -25.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 63.22 110.582 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -70.07 -16.65 63.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.174 0.511 . . . . 61.34 110.463 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.571 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 60.4 mt-30 -65.13 -29.36 70.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.677 -0.692 . . . . 72.13 111.326 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . 59.9 tt0 -169.59 77.65 0.68 Allowed Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.698 -0.482 . . . . 75.5 109.698 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -88.53 131.27 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.785 2.324 . . . . 73.24 113.174 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -84.29 139.16 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.775 -0.454 . . . . 70.52 109.775 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HA ' HD23 ' A' ' 36' ' ' LEU . 2.3 tmm_? -96.74 113.02 24.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.447 -173.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.91 141.07 44.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.429 -0.35 . . . . 70.41 110.654 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.01 -137.13 10.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.599 -0.81 . . . . 74.13 112.612 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.6 p -130.18 163.52 47.15 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.364 . . . . 70.53 110.019 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 37.7 Cg_endo -66.83 -8.15 20.56 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 74.52 113.154 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.472 ' HG3' HG23 ' A' ' 93' ' ' VAL . 8.2 tp-100 -99.07 -31.34 11.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 74.4 110.167 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 tt -144.14 108.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.573 0.702 . . . . 44.23 109.463 174.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -111.04 131.46 55.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.505 -0.77 . . . . 62.52 111.247 -173.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.4 mp -101.01 118.64 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.304 -0.628 . . . . 70.1 109.304 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 27' ' ' ARG . 80.2 mt -120.72 164.38 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.947 -0.57 . . . . 51.4 110.045 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.904 ' HA2' ' HB ' ' A' ' 21' ' ' VAL . . . 147.57 167.73 13.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 119.884 -1.15 . . . . 61.2 113.448 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.629 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 17.4 ptt180 -163.1 143.85 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.497 -0.927 . . . . 73.31 108.497 174.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 40' ' ' ASN . 16.2 tp -169.92 -104.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.773 -0.455 . . . . 54.35 109.773 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 61.1 t30 178.18 157.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.8 -0.815 . . . . 73.42 108.8 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -71.7 84.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.218 0.532 . . . . 64.11 109.91 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.51 -7.17 32.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.956 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.07 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.451 -0.881 . . . . 40.25 112.06 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -135.94 86.8 25.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.745 0.307 . . . . 73.44 110.434 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' A' ' 82' ' ' ALA . 73.1 Cg_endo -90.48 142.81 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.923 2.415 . . . . 72.35 113.077 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 12.7 tpt180 -157.37 143.24 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.726 -0.472 . . . . 71.14 109.726 176.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 tt -87.5 116.26 29.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.373 0.606 . . . . 71.21 110.957 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.66 69.74 0.61 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.024 -0.608 . . . . 45.3 111.787 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.27 109.88 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.151 0.5 . . . . 73.12 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.0 m -101.8 100.05 10.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.868 -0.606 . . . . 74.41 110.06 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.78 115.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.399 -0.818 . . . . 55.21 110.665 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.81 158.11 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.654 -0.703 . . . . 51.34 110.786 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.42 -10.29 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 74.5 111.631 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 21.0 ptmt -93.7 -12.64 28.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.997 0.427 . . . . 71.31 110.311 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.0 m-20 -102.25 -50.48 3.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 64.04 110.203 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 62' ' ' ARG . 45.5 t -126.07 126.74 70.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.508 -0.923 . . . . 63.41 108.508 174.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.632 ' HB2' ' HD2' ' A' ' 58' ' ' ARG . 81.1 mtt180 -101.06 -63.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 63.5 111.955 -165.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.73 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 4.7 mpt_? -68.38 145.52 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.573 -168.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.83 81.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 72.43 110.731 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.42 -36.84 85.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.225 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.73 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 60.5 mt-10 -65.28 -56.04 14.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.208 0.528 . . . . 60.33 110.19 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 62' ' ' ARG . 50.4 mtm180 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.42 -0.809 . . . . 74.43 111.595 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 27.1 t-20 -69.6 -45.69 68.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.157 -0.312 . . . . 75.04 110.157 174.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -64.09 -40.12 95.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 75.55 111.16 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.2 mm -60.91 -37.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.25 110.754 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -78.06 -1.02 30.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.375 . . . . 70.31 111.565 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 51.7 mtt180 -99.66 -37.0 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 75.42 109.947 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.98 -58.06 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.314 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.5 p -68.02 -32.75 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 75.14 111.693 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -72.96 -20.33 61.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.677 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -97.66 -28.83 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 65.13 110.924 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.2 p -67.44 -45.27 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 64.23 110.881 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HA ' ' CH2' ' A' ' 109' ' ' TRP . 55.1 m-85 -72.59 -11.56 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.448 . . . . 74.1 110.863 177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -102.1 -5.93 23.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 75.11 110.354 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HG ' ' HG3' ' A' ' 76' ' ' ARG . 62.6 tp -77.62 -58.47 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 64.15 110.398 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HB3' ' HG2' ' A' ' 79' ' ' GLU . 28.4 mtp85 -129.9 77.03 1.76 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 64.51 110.575 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.23 2.52 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 63.24 111.869 -177.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.6 -11.65 42.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.715 -0.476 . . . . 75.54 109.715 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 76' ' ' ARG . 35.1 mm-40 -94.19 11.27 30.75 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.081 -0.711 . . . . 74.44 109.081 173.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 112' ' ' HIS . 22.9 tp -132.2 125.22 19.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.027 -0.988 . . . . 72.14 110.307 -173.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.45 137.97 62.92 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.243 1.962 . . . . 72.01 110.772 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -75.94 86.93 2.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.089 0.471 . . . . 72.05 111.937 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ptp -157.5 -178.7 7.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.376 -0.829 . . . . 54.24 109.478 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 46' ' ' ARG . 4.8 m-20 -82.39 119.46 24.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.762 0.315 . . . . 61.14 110.866 177.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -112.14 133.25 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.32 -0.4 . . . . 72.43 110.595 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.7 t -94.73 118.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.099 -0.501 . . . . 62.42 110.726 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.82 105.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.056 -0.52 . . . . 65.13 110.021 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.5 t -89.96 106.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 70.03 110.657 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 74.21 109.948 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.0 mmpt? -80.23 176.65 9.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 71.54 111.524 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 48.2 mtmt -67.87 126.87 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.496 -0.774 . . . . 74.32 111.358 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.92 29.82 66.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.604 -0.726 . . . . 54.41 112.884 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 8.1 p -69.76 -21.53 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.922 0.392 . . . . 70.32 110.87 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 65' ' ' ILE . . . -90.54 -2.31 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 65.24 110.994 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.83 35.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.188 0.994 . . . . 63.12 110.082 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.3 153.86 35.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.285 -0.87 . . . . 74.34 109.589 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.81 151.25 47.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.756 -0.461 . . . . 63.35 109.756 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -63.67 -24.47 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.719 0.295 . . . . 71.15 111.132 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 99' ' ' ARG . 12.1 ttm180 -68.01 -51.07 51.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 72.53 109.325 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.2 88.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.427 -0.806 . . . . 74.44 111.01 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.13 -45.2 87.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 74.51 110.624 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 t -66.59 -41.69 88.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.126 -0.488 . . . . 64.35 110.26 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.45 5.56 10.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 70.33 111.491 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.74 -35.83 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 33.03 109.697 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 2.8 tm? -66.0 -43.82 86.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.29 -0.868 . . . . 74.23 110.034 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 2.9 pt-20 -61.8 -31.85 72.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 70.32 110.934 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 29.5 mmmt -61.81 -51.9 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 72.22 110.424 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -71.97 -30.52 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.875 -0.602 . . . . 75.14 111.374 -175.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 73' ' ' PHE . 23.5 t-105 -81.02 -39.06 26.44 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.669 -0.412 . . . . 73.43 110.458 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.87 -34.94 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.288 -0.634 . . . . 51.23 109.288 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.466 -0.788 . . . . 70.24 109.995 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.501 ' CE1' HD12 ' A' ' 80' ' ' LEU . 22.0 t-80 -71.25 -39.9 71.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.894 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.66 -47.64 84.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.155 0.502 . . . . 72.42 110.138 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -79.96 15.39 1.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 61.22 111.306 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 tp -125.62 -50.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.873 0.368 . . . . 74.5 110.591 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.62 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 73.2 111.487 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 117' ' ' ARG . 67.7 mtt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 61.32 110.928 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.851 0.358 . . . . 63.55 110.207 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 21' ' ' VAL . 89.4 m-85 -84.58 -45.42 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 63.43 110.004 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.689 ' HA ' ' HD2' ' A' ' 22' ' ' PHE . 23.7 m -66.51 -12.59 58.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.251 0.548 . . . . 62.33 110.961 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.5 -39.56 80.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.818 -0.628 . . . . 74.13 110.509 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 18' ' ' PHE . 13.4 m -85.89 -7.25 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 53.23 110.863 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.689 ' HD2' ' HA ' ' A' ' 19' ' ' THR . 24.7 m-85 -77.18 3.72 12.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.075 0.464 . . . . 63.4 110.936 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -87.25 -69.76 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.991 -0.744 . . . . 71.42 108.991 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -143.37 99.01 5.38 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 72.4 109.796 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -93.81 170.93 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.052 2.501 . . . . 74.24 113.627 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -117.14 99.46 7.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.784 -0.644 . . . . 64.3 109.386 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' HG3' HG23 ' A' ' 34' ' ' THR . 40.1 ttt-85 -75.79 118.8 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.108 -0.496 . . . . 64.41 111.458 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.08 91.7 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.871 -0.604 . . . . 74.25 110.272 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.15 -158.03 17.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.103 -0.57 . . . . 50.34 111.828 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 68.3 p -114.96 173.78 2.72 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.426 -0.213 . . . . 50.11 110.426 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 31.6 Cg_exo -61.09 -27.63 84.58 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.683 2.255 . . . . 61.54 113.269 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -91.52 -35.7 14.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.807 -0.357 . . . . 74.34 111.474 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 tt -128.11 104.39 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.658 0.742 . . . . 73.21 110.22 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' HG3' ' A' ' 27' ' ' ARG . 52.9 m -101.06 112.29 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.449 -0.796 . . . . 51.41 111.323 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.4 mt -94.65 115.13 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 71.24 110.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.718 ' HB2' HG13 ' A' ' 86' ' ' VAL . 3.1 mm? -86.57 105.08 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.221 -0.659 . . . . 74.15 109.221 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.618 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -96.13 160.98 22.37 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.563 -0.827 . . . . 64.44 112.836 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -141.54 138.45 32.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.026 -0.361 . . . . 65.12 110.026 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.36 4.55 45.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.002 0.43 . . . . 62.13 110.534 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.08 98.79 0.61 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.557 -0.905 . . . . 72.3 108.557 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 12.4 t -82.44 107.09 14.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.22 0.534 . . . . 53.44 111.111 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.67 -1.9 29.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 72.21 110.41 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.92 37.61 94.07 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.724 -0.751 . . . . 70.33 111.457 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -127.67 86.8 57.51 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.96 -0.385 . . . . 53.24 109.96 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.534 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 4.0 Cg_exo -75.5 102.26 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.87 2.38 . . . . 74.24 111.959 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -146.14 150.81 36.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.839 0.352 . . . . 75.23 110.373 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.39 108.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.358 0.599 . . . . 72.15 110.0 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.06 91.32 1.44 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.944 -0.646 . . . . 50.45 112.28 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 69' ' ' THR . 59.8 tp -72.96 110.7 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 72.1 109.93 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 104.57 13.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.942 -0.572 . . . . 73.34 109.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.12 136.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.001 -0.545 . . . . 43.23 110.053 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.69 146.42 36.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.341 -0.614 . . . . 72.14 109.341 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 61.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.642 0.734 . . . . 65.24 111.586 -175.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 4.2 ptpp? -130.06 -36.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 71.3 110.158 174.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.9 p-10 -90.05 -35.54 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.681 -0.488 . . . . 73.31 109.681 177.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -117.35 89.18 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.759 -0.655 . . . . 65.52 109.657 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -108.34 74.97 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.207 0.527 . . . . 75.34 110.362 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.7 tpm_? -161.1 -149.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 64.41 109.032 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.477 ' H ' ' HG3' ' A' ' 58' ' ' ARG . . . -134.21 -47.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.509 0.559 . . . . 64.52 112.509 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -69.38 -30.58 68.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.378 0.609 . . . . 75.01 110.613 -172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.605 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 22.5 mp0 -71.74 -15.89 62.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.111 -0.95 . . . . 75.15 111.503 -174.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.91 -42.72 94.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.097 0.475 . . . . 72.53 110.592 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.75 -34.43 60.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 74.43 110.312 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 98.5 mtt180 -58.44 -51.49 69.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.702 -0.681 . . . . 72.01 111.449 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.48 -39.76 86.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.073 -0.512 . . . . 71.11 111.1 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 66.4 mttm -69.58 -36.35 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 74.35 111.69 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -64.75 -47.12 79.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.748 -0.381 . . . . 73.43 111.304 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.3 -48.05 81.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.337 . . . . 73.45 110.651 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.42 HG21 HD13 ' A' ' 49' ' ' LEU . 6.1 p -62.32 -56.86 14.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 74.1 112.212 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 58.5 mtm180 -57.71 -43.03 84.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.785 0.326 . . . . 74.15 111.421 -177.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.65 -40.01 92.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 73.13 111.289 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.562 ' CB ' HD11 ' A' ' 105' ' ' LEU . 38.9 t -75.5 -36.76 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.986 -0.286 . . . . 72.45 110.649 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 77.9 t80 -62.75 -32.44 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.137 0.494 . . . . 70.23 110.248 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -75.3 -43.4 51.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.485 -0.779 . . . . 64.44 111.21 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.87 -32.0 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 65.24 111.524 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -93.49 7.94 42.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.096 0.474 . . . . 55.13 110.094 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 8.1 tp-100 -79.96 79.67 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 73.32 111.891 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 77' ' ' GLN . 8.9 t-80 167.08 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.376 -0.829 . . . . 72.13 109.132 174.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.45 -38.04 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.718 -0.674 . . . . 51.43 110.289 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 3.5 pp -104.37 158.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 64.34 109.967 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 80' ' ' LEU . 23.6 Cg_endo -61.81 127.33 21.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.558 2.172 . . . . 73.33 112.161 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 45' ' ' PRO . . . -72.7 90.8 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 65.11 111.154 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 20.6 mmt -124.29 179.7 4.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 71.33 109.844 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.73 107.29 19.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.16 -0.681 . . . . 70.24 109.16 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.618 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 71.3 m-85 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.243 -0.435 . . . . 65.11 111.305 -174.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.5 p -94.78 123.44 46.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.572 . . . . 73.12 109.542 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.39 113.71 45.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.01 -0.541 . . . . 72.13 110.565 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.5 t -102.95 117.91 49.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.089 0.471 . . . . 62.3 110.429 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -80.63 136.48 36.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.695 . . . . 74.23 110.313 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.608 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.4 mmpt? -103.93 -171.82 2.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.222 -0.445 . . . . 75.51 110.366 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 58.1 pttt -73.12 143.42 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.428 -0.351 . . . . 72.33 110.911 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.38 4.18 71.23 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.785 -0.721 . . . . 74.22 113.24 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.4 p -82.44 -21.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 63.01 110.989 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.49 -25.28 31.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 54.35 111.063 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -124.13 104.38 8.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.099 -0.5 . . . . 43.43 110.003 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.44 168.08 20.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.985 -0.552 . . . . 42.55 110.805 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 24.7 m-20 -74.58 165.42 25.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.528 . . . . 71.13 110.246 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -64.01 -45.83 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.426 -0.352 . . . . 71.11 111.723 -173.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -85.7 -15.61 41.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 75.03 110.48 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . . . -65.77 -24.01 66.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 74.32 111.948 -174.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 102' ' ' SER . 4.2 pp -65.66 -33.59 76.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.839 0.352 . . . . 73.04 110.315 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.513 ' N ' HD12 ' A' ' 101' ' ' LEU . 8.7 t -78.87 -33.04 46.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.909 -0.774 . . . . 33.51 108.909 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 51.9 mt-10 -72.31 2.17 6.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.308 -0.86 . . . . 72.44 111.616 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.53 -38.17 3.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.294 0.569 . . . . 63.44 109.795 173.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 21.3 tp -68.31 -57.88 5.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.689 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.726 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 1.5 pt-20 -65.34 -16.07 63.2 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.844 0.313 . . . . 73.55 111.844 -173.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.726 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.2 mmmt -75.76 -43.8 44.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.915 -0.402 . . . . 74.31 109.915 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.5 pp -71.25 -19.87 62.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 75.15 110.124 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.552 ' O ' ' HB2' ' A' ' 113' ' ' CYS . 10.9 m0 -60.65 -32.13 71.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.372 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 7.5 mpt_? -91.28 -45.08 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.52 110.854 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -57.81 -40.36 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 64.42 110.802 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -87.28 -0.06 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 75.42 110.652 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 109' ' ' TRP . 34.8 t -92.31 -34.08 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.955 0.407 . . . . 72.33 110.024 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -70.22 -21.55 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 73.34 109.331 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.1 tp -95.31 9.99 37.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.759 . . . . 50.53 109.71 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.09 -47.01 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.664 . . . . 71.1 110.868 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 74.34 111.307 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.717 ' HG2' ' HB3' ' A' ' 84' ' ' ASP . 1.1 mp0 . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 110.337 -0.245 . . . . 62.11 110.337 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -55.85 -55.47 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 70.1 110.803 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -66.48 -32.26 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 73.31 111.008 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.41 -50.44 52.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 73.1 111.161 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -77.73 -16.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 71.13 111.402 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -75.04 -21.85 58.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 55.24 110.995 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -60.4 -42.82 96.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 50.32 110.942 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 2.9 tm0? -155.12 86.79 3.35 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.629 -0.878 . . . . 72.31 108.629 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.54 ' HB2' HD22 ' A' ' 36' ' ' LEU . 2.3 Cg_endo -81.65 126.76 5.41 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.162 2.575 . . . . 72.03 113.316 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -78.35 122.03 25.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.605 -0.887 . . . . 73.11 108.605 171.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -98.49 127.87 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.21 0.529 . . . . 73.1 111.818 -173.562 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -140.96 162.41 35.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.634 -0.712 . . . . 72.44 109.625 172.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.95 167.35 27.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.279 -0.962 . . . . 13.43 113.234 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.635 HG22 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -61.26 149.72 81.88 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 123.338 0.655 . . . . 74.51 110.697 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.635 ' HD2' HG22 ' A' ' 30' ' ' THR . 50.4 Cg_exo -55.74 -17.57 18.4 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.79 2.327 . . . . 71.23 114.036 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 90' ' ' LYS . 27.5 mp0 -94.41 -11.52 29.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 71.51 111.264 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.26 94.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.686 0.755 . . . . 75.14 109.689 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -97.26 108.89 21.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.731 -0.668 . . . . 60.23 111.437 -171.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.67 116.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.235 -0.654 . . . . 71.3 109.235 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 25' ' ' PRO . 95.6 mt -117.32 143.21 46.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 61.24 110.107 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.725 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -173.07 -179.01 43.47 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.162 -1.018 . . . . 40.44 112.578 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.726 ' HG3' HD23 ' A' ' 39' ' ' LEU . 6.4 tpt180 -152.75 153.91 34.16 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.228 -0.656 . . . . 74.22 109.228 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.726 HD23 ' HG3' ' A' ' 38' ' ' ARG . 1.7 pt? -62.99 122.65 16.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.017 0.437 . . . . 75.34 110.506 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -145.41 140.01 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 73.03 110.444 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -98.78 103.1 15.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.064 -0.517 . . . . 74.24 110.23 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -149.31 -49.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.703 0.287 . . . . 51.43 110.344 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.638 ' HA2' ' HB1' ' A' ' 82' ' ' ALA . . . 93.73 40.27 4.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.297 -0.954 . . . . 73.22 110.901 -173.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' HD12 ' A' ' 42' ' ' LEU . 54.0 t-80 -131.67 85.75 50.99 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.282 -0.459 . . . . 75.24 110.086 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -96.19 94.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.107 2.538 . . . . 51.41 112.243 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 46' ' ' ARG . 11.5 mmt180 -110.29 -169.69 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.078 0.466 . . . . 73.24 110.573 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 tt -121.45 88.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.765 0.793 . . . . 63.11 109.747 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.45 61.16 4.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 32.22 112.601 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.24 109.02 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.094 0.473 . . . . 72.11 110.374 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 19.9 m -100.26 98.69 9.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.929 -0.578 . . . . 71.45 110.312 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -103.26 93.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 74.44 111.425 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . . . -70.32 134.93 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.98 -0.555 . . . . 70.43 110.363 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HB3' ' HD3' ' A' ' 58' ' ' ARG . 56.6 pttt -78.45 7.73 6.19 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.256 0.465 . . . . 73.34 112.256 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -91.68 -24.7 19.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.213 0.53 . . . . 72.41 110.091 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 4.9 p-10 -116.99 -26.62 6.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 73.45 110.598 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 58' ' ' ARG . 18.4 t -98.08 136.67 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.47 -0.937 . . . . 70.05 108.47 171.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.548 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 73.7 mtp180 -66.51 -14.44 62.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 74.2 111.263 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' H ' HG12 ' A' ' 56' ' ' VAL . 16.5 tpt180 74.13 25.06 1.85 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.669 -0.696 . . . . 61.15 111.552 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 -88.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.555 -0.458 . . . . 72.34 111.983 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -106.46 -20.64 13.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.391 0.615 . . . . 73.54 110.691 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.75 ' H ' ' CD ' ' A' ' 61' ' ' GLU . 3.8 mp0 -58.91 -45.95 89.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.02 -0.991 . . . . 53.2 110.441 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -20.26 65.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.684 -0.689 . . . . 74.43 110.887 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.599 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 56.0 t30 -70.46 -40.45 73.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.438 -0.346 . . . . 54.42 110.162 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HD3' HH11 ' A' ' 64' ' ' ARG . 17.9 ttm180 -70.83 -40.42 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.187 0.518 . . . . 73.32 109.889 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.7 mm -60.98 -42.8 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.71 . . . . 71.5 111.108 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.599 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 22.7 pttp -79.29 5.0 13.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.634 -0.257 . . . . 54.23 111.303 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -103.58 -42.46 5.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 75.24 110.533 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 68' ' ' LEU . 2.2 tm? -65.3 -49.68 68.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.737 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 64.1 110.824 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 29.1 ttt180 -48.04 -52.62 19.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.44 -0.8 . . . . 64.24 111.418 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.25 -48.43 70.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.961 -0.563 . . . . 72.12 110.88 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 p -69.25 -24.66 64.01 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.518 0.562 . . . . 73.35 112.518 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -96.15 -15.54 22.04 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.553 0.575 . . . . 75.25 112.553 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.7 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.4 mmp_? -104.88 -32.67 8.68 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.394 -0.522 . . . . 72.33 112.076 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.3 mm? -80.42 -12.18 59.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 74.33 110.9 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.669 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 82.8 mtm180 -115.53 82.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.286 -0.416 . . . . 75.23 109.986 175.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -93.75 10.11 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.52 -0.309 . . . . 71.23 111.645 -175.783 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -127.91 9.46 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.742 0.782 . . . . 74.23 109.202 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.669 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 19.8 tp10 -81.71 -27.6 33.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.149 -0.932 . . . . 72.12 110.049 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.3 pt? -136.15 154.85 77.65 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.626 -0.716 . . . . 70.12 109.794 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 16.5 Cg_exo -68.66 179.65 2.99 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.633 2.222 . . . . 75.21 111.74 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.638 ' HB1' ' HA2' ' A' ' 43' ' ' GLY . . . -80.08 44.31 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.338 0.59 . . . . 45.23 111.188 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.6 ' SD ' ' HA ' ' A' ' 39' ' ' LEU . 56.0 mtt -108.08 166.16 10.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.454 -0.794 . . . . 75.41 109.525 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.717 ' HB3' ' HG2' ' A' ' 17' ' ' GLN . 22.5 t70 -111.48 126.92 55.47 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.787 -0.449 . . . . 73.02 109.787 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.725 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 97.2 m-85 -122.44 139.71 53.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.797 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.21 123.76 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.443 0.64 . . . . 74.44 110.118 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.97 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.776 -0.647 . . . . 73.22 109.726 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.409 ' HA ' ' HB ' ' A' ' 50' ' ' THR . 38.7 t -88.49 116.22 29.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.921 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -73.32 133.74 43.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.785 -0.643 . . . . 74.43 109.881 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 75.4 mmtt -111.83 177.77 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 73.24 111.19 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 55.1 tptt -66.14 115.0 5.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.772 -0.649 . . . . 65.12 110.777 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.89 -24.98 5.36 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.767 -0.73 . . . . 70.33 112.459 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.587 HG11 ' HB1' ' A' ' 89' ' ' ALA . 9.8 p -71.27 -20.57 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.043 0.449 . . . . 71.34 111.468 -175.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.02 3.1 47.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.141 0.496 . . . . 42.21 110.796 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.9 87.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 75.23 109.675 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.69 165.1 22.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.912 -0.585 . . . . 55.4 110.122 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 29.6 t70 -70.45 140.46 51.97 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.485 -0.561 . . . . 75.53 109.485 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.136 0.493 . . . . 61.04 111.096 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 1.4 ttp180 -86.1 -21.75 27.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 73.11 110.765 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 97' ' ' ASP . . . -71.75 -5.19 32.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 61.3 112.615 -173.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 102' ' ' SER . 4.3 pp -68.22 -24.8 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 74.21 110.204 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.429 ' N ' HD12 ' A' ' 101' ' ' LEU . 16.2 m -72.78 -22.07 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.877 -0.601 . . . . 71.32 110.429 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.72 -46.5 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 54.1 109.758 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.65 74.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 73.14 110.748 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.1 -37.29 87.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 61.42 111.38 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.607 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -72.29 -31.21 65.52 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 120.707 -0.397 . . . . 75.51 110.225 -177.689 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.607 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -69.94 -37.48 75.87 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.844 -0.798 . . . . 75.11 108.844 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.652 ' HG ' HH22 ' A' ' 76' ' ' ARG . 44.5 tp -77.89 4.04 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.13 -0.941 . . . . 72.3 110.703 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -116.02 -63.11 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.989 -0.55 . . . . 71.23 109.995 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -64.15 -51.91 61.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 64.24 111.972 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -72.5 -22.93 60.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.003 0.43 . . . . 72.34 110.38 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.45 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 58.1 t-80 -77.83 -48.66 15.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 74.11 110.784 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 31.2 t -62.05 -37.94 86.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.192 0.52 . . . . 74.01 110.27 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -84.69 6.59 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.33 111.066 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 28' ' ' ALA . 46.2 tp -95.01 -33.09 12.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 75.11 110.049 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.74 60.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 74.12 110.565 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.909 -0.587 . . . . 70.24 109.654 178.125 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 11.1 mm-40 . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.577 0.227 . . . . 74.12 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -66.23 -28.29 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.221 0.534 . . . . 74.31 110.38 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -93.8 -29.88 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 64.33 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -70.14 -35.79 74.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 75.12 110.745 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.832 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 10.6 p -76.63 -23.24 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 43.12 110.619 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -70.53 -21.12 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.252 0.548 . . . . 72.42 110.56 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.99 -62.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 74.33 111.722 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -159.79 89.26 1.91 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 73.24 110.114 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -97.75 148.98 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.367 2.711 . . . . 70.43 113.232 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' HB3' HD21 ' A' ' 115' ' ' LEU . 87.2 mm-40 -88.29 97.31 10.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.819 -0.808 . . . . 55.3 108.819 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.763 ' HE ' HG23 ' A' ' 34' ' ' THR . 2.6 tmt_? -82.52 116.62 22.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.692 -0.686 . . . . 70.44 110.642 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.43 129.44 31.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.711 -0.677 . . . . 60.24 109.774 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.65 -164.06 31.96 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.437 -0.887 . . . . 74.21 112.412 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 46.2 p -123.63 176.23 2.33 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.071 -0.344 . . . . 73.31 110.071 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_exo -62.94 -14.35 40.7 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.482 2.121 . . . . 52.33 112.398 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -87.64 -41.65 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 73.53 110.399 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.8 tt -143.18 127.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 71.21 110.951 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.763 HG23 ' HE ' ' A' ' 27' ' ' ARG . 52.1 m -117.33 121.48 41.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.011 0.434 . . . . 44.51 111.353 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.516 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 60.4 mt -104.45 118.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 60.53 110.134 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.643 ' HB2' HG13 ' A' ' 86' ' ' VAL . 89.2 mt -101.28 105.69 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.36 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.54 2.69 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.475 -0.869 . . . . 53.35 112.169 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.832 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 2.0 tmt_? -91.43 136.5 33.07 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.132 -0.692 . . . . 64.35 109.132 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.529 HD13 ' HG2' ' A' ' 83' ' ' MET . 3.3 mm? -66.35 87.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.394 -0.366 . . . . 73.3 110.191 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.793 ' HB3' ' HB2' ' A' ' 84' ' ' ASP . 36.5 t30 -125.44 115.94 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.228 -0.656 . . . . 73.41 109.228 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 t -80.39 86.08 5.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.315 0.579 . . . . 74.12 110.484 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD22 ' HD2' ' A' ' 46' ' ' ARG . 36.4 tp -94.93 -11.96 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.635 -0.711 . . . . 72.32 109.726 175.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.85 15.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.734 -0.666 . . . . 74.12 112.199 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -133.49 148.7 69.85 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.565 -0.531 . . . . 65.55 109.565 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 77' ' ' GLN . 31.6 Cg_exo -62.46 110.13 1.01 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.728 2.285 . . . . 75.21 111.689 177.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.551 ' HD2' HD22 ' A' ' 42' ' ' LEU . 45.2 ttt180 -95.41 134.47 38.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.855 -0.611 . . . . 64.13 110.356 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 tt -121.59 127.52 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.223 0.535 . . . . 74.4 110.676 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.02 127.68 4.66 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.275 -0.73 . . . . 71.14 111.275 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 66' ' ' LYS . 33.8 tp -100.54 121.41 41.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 117.223 0.512 . . . . 74.14 110.654 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -119.8 100.91 7.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.045 -0.525 . . . . 75.32 110.124 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.459 HG23 ' HG ' ' A' ' 49' ' ' LEU . 50.9 t -129.04 127.99 66.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 61.3 110.473 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.76 160.59 19.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.345 -0.389 . . . . 51.12 110.423 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -73.14 -11.15 60.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.335 0.588 . . . . 74.13 110.43 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 35.1 mmtp -81.19 -22.91 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 73.24 110.263 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.66 -55.58 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.707 -0.678 . . . . 63.41 109.63 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 62' ' ' ARG . 61.9 t -109.52 109.73 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.373 -0.83 . . . . 34.24 109.509 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -73.57 2.1 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 71.1 111.854 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' H ' HG12 ' A' ' 56' ' ' VAL . 4.1 mmp_? -123.96 175.05 7.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.912 0.387 . . . . 74.24 110.981 -175.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.69 -46.8 2.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.16 -0.473 . . . . 70.31 110.747 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -67.04 -45.83 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 71.53 110.191 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 19.3 mp0 -59.74 -35.9 75.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.581 -0.736 . . . . 74.35 110.318 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.61 ' HB2' HG11 ' A' ' 56' ' ' VAL . 2.6 ttp180 -70.1 -29.71 66.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 74.21 111.094 -178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.29 -38.7 84.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.666 -0.243 . . . . 72.3 110.832 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -75.82 -17.96 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.657 -0.247 . . . . 73.44 111.16 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mm -63.89 -43.68 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 71.55 110.515 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HB3' HD22 ' A' ' 49' ' ' LEU . 23.5 pttm -78.79 -17.66 55.39 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.634 -0.426 . . . . 73.22 110.223 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.4 mmp_? -71.75 -41.13 68.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.208 0.528 . . . . 75.14 109.972 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 68' ' ' LEU . 3.1 tm? -66.78 -36.61 82.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 62.31 110.414 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.407 HG21 HG11 ' A' ' 87' ' ' VAL . 4.1 p -86.87 -40.72 14.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.728 0.64 . . . . 72.14 112.728 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -72.28 -36.47 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.786 -0.366 . . . . 73.15 111.03 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -15.64 59.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 71.3 111.683 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.457 ' HB3' HD11 ' A' ' 105' ' ' LEU . 19.3 p -95.26 -45.39 7.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.772 -0.371 . . . . 63.42 111.321 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 20.9 m-85 -59.83 -48.97 79.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.887 0.375 . . . . 72.31 111.193 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -86.94 23.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 72.05 111.509 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.85 -15.42 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.562 0.696 . . . . 71.21 109.513 172.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HD3' ' OE1' ' A' ' 79' ' ' GLU . 12.8 tpp180 -118.99 26.9 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 72.04 109.893 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' HB2' ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -76.59 9.46 2.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.746 -0.661 . . . . 72.31 112.014 -174.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -95.28 -49.47 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.831 -0.433 . . . . 74.52 109.831 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.438 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 29.5 mp0 -84.12 2.22 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 73.13 110.524 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 52.0 tp -117.16 121.95 31.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.784 -0.644 . . . . 51.02 109.951 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 22.3 Cg_exo -65.92 168.24 15.87 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.039 2.493 . . . . 65.45 112.24 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.76 97.97 11.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.123 -0.489 . . . . 74.24 112.133 -173.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 81' ' ' PRO . 4.3 mpp? -133.6 -174.0 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.493 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.793 ' HB2' ' HB3' ' A' ' 40' ' ' ASN . 3.8 t0 -103.71 118.16 36.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.942 -0.762 . . . . 74.51 108.942 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -117.48 109.07 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.003 0.43 . . . . 72.23 111.324 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.643 HG13 ' HB2' ' A' ' 36' ' ' LEU . 4.8 p -95.84 115.68 35.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.668 0.746 . . . . 64.04 109.668 173.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.442 HG22 HG23 ' A' ' 35' ' ' ILE . 44.8 t -98.12 119.38 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.516 -0.766 . . . . 65.32 110.318 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.74 103.95 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.897 -0.592 . . . . 73.31 110.232 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -74.29 132.89 42.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.436 -0.579 . . . . 61.33 109.436 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.623 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -94.48 -171.91 2.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.81 0.338 . . . . 64.11 110.713 -175.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 54' ' ' LYS . 39.2 ttmt -80.4 130.49 35.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.167 -0.469 . . . . 75.01 110.985 -174.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.56 -9.99 55.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.655 -0.783 . . . . 72.23 112.995 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.541 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.8 p -63.59 -24.03 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.94 0.4 . . . . 60.22 111.388 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 1.86 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 71.0 111.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -108.18 17.01 22.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 61.32 110.448 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.54 156.65 29.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 73.4 111.734 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.46 157.93 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.703 -0.68 . . . . 73.1 110.108 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.94 -26.44 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 64.1 110.87 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -90.57 -32.57 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 72.21 110.677 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.39 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.737 -0.665 . . . . 63.21 112.184 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 4.1 pp -64.2 -22.72 67.05 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.584 0.23 . . . . 70.54 111.491 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 t -94.2 -37.98 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 43.42 109.885 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 15.8 mm-40 -62.38 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.472 -0.785 . . . . 60.44 111.28 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.37 -21.66 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 75.03 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 72' ' ' SER . 45.2 tp -65.6 -45.18 84.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.077 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.46 -29.29 68.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 61.5 110.873 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 32.2 mmmt -66.23 -42.4 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 74.44 110.129 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 99.1 mt -59.68 -52.53 65.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.699 . . . . 52.33 110.7 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -57.37 -54.41 47.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.963 0.411 . . . . 72.21 111.459 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -58.71 -47.14 85.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.409 -0.814 . . . . 75.14 111.747 -171.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -77.77 -37.33 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.77 -0.372 . . . . 73.42 111.357 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.5 t-80 -67.95 -28.16 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.628 0.251 . . . . 73.21 110.57 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 42.1 t -68.56 -49.11 61.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.277 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -58.56 -41.2 85.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.911 0.386 . . . . 74.21 110.903 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 26' ' ' GLN . 50.4 tp -62.66 -31.82 72.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 74.1 110.863 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.99 -9.98 57.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 74.43 111.204 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 11.2 mmm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.26 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 112.067 0.395 . . . . 71.32 112.067 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.03 -37.54 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.024 0.44 . . . . 75.22 110.73 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.0 -14.22 61.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 45.33 110.578 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 74.5 t80 -99.22 -49.68 4.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.436 . . . . 54.51 111.022 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 33.4 m -70.48 -23.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.051 0.389 . . . . 75.5 112.051 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -81.61 -9.78 59.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 74.23 111.138 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 78.5 mt-30 -64.25 -65.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 43.43 111.1 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.486 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 49.0 mt-30 -127.42 77.93 75.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.537 -0.301 . . . . 63.1 110.555 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.432 ' HB2' HD12 ' A' ' 36' ' ' LEU . 93.2 Cg_endo -96.27 165.58 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.184 2.589 . . . . 72.42 113.083 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -101.39 125.7 48.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 71.14 110.01 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -72.26 103.7 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.774 -0.648 . . . . 74.35 110.488 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.15 177.06 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.246 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.747 ' HA2' ' HG ' ' A' ' 108' ' ' LEU . . . 78.39 -131.22 10.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.599 -0.81 . . . . 70.3 111.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -132.65 169.53 13.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.29 -0.263 . . . . 74.31 110.29 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_endo -67.78 -6.55 17.12 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.258 1.972 . . . . 60.34 112.118 171.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -92.87 -52.17 4.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 65.31 109.624 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -124.01 103.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.746 -0.661 . . . . 74.43 109.474 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 m -97.41 130.11 44.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 75.52 111.23 -173.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.428 HD11 HD23 ' A' ' 108' ' ' LEU . 65.5 mt -107.69 122.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 71.34 109.971 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -110.54 117.47 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.006 -0.368 . . . . 54.54 110.006 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.678 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -128.57 143.18 14.22 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.075 -1.06 . . . . 70.01 112.831 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.594 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 3.2 mmp_? -132.52 -177.07 4.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.28 -0.267 . . . . 41.22 110.28 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.86 98.4 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 72.54 110.038 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 83' ' ' MET . 24.6 t-20 -78.56 118.04 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.065 -0.516 . . . . 75.02 110.197 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -93.67 1.69 56.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.855 0.359 . . . . 70.35 111.41 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.87 -33.01 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 71.31 110.514 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.65 82.78 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.912 -0.661 . . . . 71.34 112.289 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -149.01 102.67 3.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.849 0.357 . . . . 73.12 110.066 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HB1' ' A' ' 82' ' ' ALA . 90.1 Cg_endo -84.87 158.58 11.83 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.703 2.269 . . . . 71.13 113.572 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -129.41 105.72 8.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.648 -0.871 . . . . 72.11 108.648 171.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.478 HD12 ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -81.61 123.38 37.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.618 0.723 . . . . 51.03 110.576 -173.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.15 154.72 22.07 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.461 -0.791 . . . . 73.44 111.731 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 tp -105.79 117.15 33.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.844 0.354 . . . . 62.21 110.521 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -92.66 95.18 9.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.26 -0.427 . . . . 73.22 109.981 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 89' ' ' ALA . 7.4 p -136.6 129.5 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.905 -0.589 . . . . 72.23 109.427 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.14 163.3 25.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.232 -0.285 . . . . 63.12 110.232 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -43.26 76.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 54.41 111.748 -172.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -103.22 16.33 26.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.182 0.438 . . . . 65.44 112.182 -172.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 10.0 m120 -79.87 -23.7 41.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 75.34 109.874 174.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.0 137.75 21.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 74.02 109.708 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.8 -38.62 46.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.277 0.56 . . . . 74.23 110.059 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.6 mmp_? -114.67 114.58 25.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.183 -0.673 . . . . 74.43 109.183 174.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.65 -58.27 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.661 0.985 . . . . 75.24 113.661 -168.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -65.26 -8.81 19.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.69 0.996 . . . . 72.14 113.69 -171.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -74.61 -6.57 49.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.701 0.63 . . . . 54.34 112.701 -175.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.447 ' HD3' ' H ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -69.34 -27.0 64.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.115 -0.634 . . . . 72.15 109.551 176.02 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.58 -20.66 56.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 71.43 109.915 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -71.64 -52.01 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.635 -0.711 . . . . 72.22 109.435 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.5 -43.14 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.139 -0.937 . . . . 74.15 111.833 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -70.41 -29.21 65.76 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 43.55 111.385 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -76.44 -33.39 58.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 74.41 110.915 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.22 -45.0 78.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.275 0.56 . . . . 72.02 109.835 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.4 p -77.94 -56.99 4.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.74 -0.663 . . . . 71.15 112.43 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.478 ' HG2' HD12 ' A' ' 47' ' ' ILE . 42.4 mtp180 -65.74 -22.3 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.509 0.559 . . . . 73.14 112.509 -170.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -79.88 -44.51 20.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.971 0.415 . . . . 72.32 110.515 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.8 m -60.38 -34.23 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.748 -0.66 . . . . 64.53 111.997 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CD1' HG13 ' A' ' 47' ' ' ILE . 21.7 m-85 -64.3 -23.84 67.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 72.2 111.81 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 74' ' ' ARG . 42.3 mtp180 -106.4 14.67 27.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.366 0.603 . . . . 74.22 110.293 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.49 -49.8 2.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.722 -0.672 . . . . 70.21 109.518 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -97.71 38.07 1.32 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.735 -0.666 . . . . 73.45 109.557 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -14.57 62.69 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.966 0.728 . . . . 63.13 112.966 -168.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -80.33 -27.83 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 74.44 110.794 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' CG ' ' HG3' ' A' ' 76' ' ' ARG . 4.7 mm-40 -87.0 -22.61 25.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.679 -0.691 . . . . 74.53 111.861 -168.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.2 pt? -116.99 152.6 48.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.698 -0.401 . . . . 63.04 110.606 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.16 151.04 60.67 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.612 2.208 . . . . 71.04 111.602 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' ' HD3' ' A' ' 45' ' ' PRO . . . -75.44 78.8 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 63.33 110.936 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.505 ' HA ' ' HB3' ' A' ' 40' ' ' ASN . 65.3 mtt -130.07 153.35 48.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 73.0 109.251 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.2 106.1 17.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.928 0.871 . . . . 41.34 110.805 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.678 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 80.5 m-85 -101.38 100.06 10.49 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.997 -1.002 . . . . 74.43 109.006 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.94 124.68 33.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.465 0.65 . . . . 71.0 110.494 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.1 t -94.38 120.93 44.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.62 -0.718 . . . . 75.33 110.07 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.6 t -113.12 119.95 61.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.431 . . . . 72.23 109.899 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB3' ' HB ' ' A' ' 51' ' ' VAL . . . -92.72 128.06 38.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.124 -0.489 . . . . 62.01 110.579 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.8 mmpt? -91.81 156.31 17.61 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.52 -0.548 . . . . 63.13 109.52 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 14.6 ptmm? -65.06 136.21 56.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 72.25 110.438 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.93 -9.56 40.06 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.617 -0.802 . . . . 72.3 112.257 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.2 -23.52 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.198 0.523 . . . . 64.01 110.812 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.77 9.74 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 61.31 111.357 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.98 13.2 33.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.737 0.779 . . . . 65.43 109.897 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.38 154.5 20.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 71.2 110.664 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.563 ' OD2' ' HB3' ' A' ' 99' ' ' ARG . 5.1 t70 -71.16 143.74 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 75.2 110.209 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.31 -41.01 88.04 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 71.0 111.063 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.563 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 20.7 ttp180 -66.48 -42.54 87.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.181 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -21.97 66.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 73.31 111.995 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.4 mt -60.61 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 73.21 110.651 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.0 t -69.42 -32.43 71.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 55.2 110.148 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.43 -21.38 61.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 43.32 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.02 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.489 . . . . 64.01 110.564 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.11 -45.71 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 70.41 109.989 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 3.1 pt-20 -61.93 -38.33 88.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 65.35 110.671 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.554 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 13.7 mmmm -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.372 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.747 ' HG ' ' HA2' ' A' ' 29' ' ' GLY . 11.0 mp -64.72 -40.01 94.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 74.43 110.552 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.45 -48.82 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.558 -0.292 . . . . 72.41 111.213 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -57.47 -43.81 84.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 73.15 110.374 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.54 -44.32 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.737 -0.665 . . . . 74.34 110.142 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -68.82 -39.75 79.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.475 -0.784 . . . . 73.54 111.672 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.57 -47.46 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.762 0.315 . . . . 65.05 110.84 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -61.45 -39.43 90.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.26 -0.427 . . . . 62.11 110.717 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.33 -36.34 81.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.815 -0.629 . . . . 42.3 110.737 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.0 62.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.396 . . . . 72.04 111.428 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.607 176.595 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 21.0 tt0 . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.907 0.384 . . . . 71.12 111.048 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -59.63 -39.67 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.392 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -73.43 -25.69 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.066 0.46 . . . . 53.11 110.972 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -85.82 -39.27 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 72.01 110.934 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 25' ' ' PRO . 9.8 p -76.62 -27.12 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 61.52 110.917 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.29 -23.93 67.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 74.02 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -67.15 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.913 -0.585 . . . . 62.35 111.262 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -144.47 90.18 6.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.592 -0.276 . . . . 63.04 111.199 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.485 ' HB3' HG22 ' A' ' 21' ' ' VAL . 59.7 Cg_endo -95.98 165.42 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.061 2.507 . . . . 72.14 111.913 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 4.1 pt20 -86.05 106.8 17.46 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.235 -0.654 . . . . 64.25 109.235 173.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -81.76 90.76 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.512 . . . . 71.03 109.774 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB1' ' HG3' ' A' ' 111' ' ' ARG . . . -130.08 106.64 8.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.822 -0.626 . . . . 71.24 110.094 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.0 -160.9 32.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.846 -0.902 . . . . 55.41 110.846 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.9 p -108.62 167.49 9.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.863 0.332 . . . . 54.51 110.171 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 14.7 Cg_exo -69.99 -9.81 26.91 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.636 2.224 . . . . 74.0 111.852 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -89.33 -48.8 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 73.05 109.726 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.63 102.91 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.686 0.755 . . . . 64.4 109.724 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -99.28 110.06 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.541 -0.754 . . . . 63.02 110.926 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.404 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 49.8 mt -92.48 109.62 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 75.15 110.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.93 107.17 16.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.367 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -121.26 150.38 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.43 -0.89 . . . . 71.13 112.491 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -144.07 130.59 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.035 0.445 . . . . 70.33 110.415 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.74 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.2 pt? -72.87 135.59 45.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 62.43 110.77 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -140.21 161.82 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.301 -0.629 . . . . 74.32 109.301 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -60.31 -29.84 69.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.727 0.269 . . . . 63.32 111.727 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.4 -65.01 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.737 -0.468 . . . . 74.31 109.737 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 83' ' ' MET . . . 59.73 54.58 36.39 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.574 -0.739 . . . . 43.15 113.205 174.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.418 ' HB3' HH21 ' A' ' 46' ' ' ARG . 2.5 m-70 -125.13 83.49 60.55 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.007 -0.738 . . . . 74.2 109.007 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.616 ' HG3' HE22 ' A' ' 77' ' ' GLN . 1.3 Cg_endo -41.59 95.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.724 3.616 . . . . 72.21 114.781 -166.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' HB3' HE22 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -94.1 86.27 4.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.169 -1.048 . . . . 75.54 108.169 172.274 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 tt -59.64 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.845 0.831 . . . . 64.23 111.434 -174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.07 74.71 1.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.491 -0.777 . . . . 62.22 112.488 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 66' ' ' LYS . 66.9 tp -76.22 115.56 16.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.925 0.393 . . . . 64.41 110.052 177.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.079 -0.509 . . . . 71.02 110.484 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.45 139.23 32.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.887 -0.597 . . . . 55.13 110.162 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.68 -173.84 3.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.397 -0.365 . . . . 74.33 110.264 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -95.43 1.14 54.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.008 0.433 . . . . 74.1 110.854 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -91.49 -20.68 21.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.331 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.8 p-10 -110.18 -29.43 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.895 -0.593 . . . . 71.34 110.009 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.5 t -126.3 94.07 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.802 -0.635 . . . . 64.42 109.698 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -85.97 38.88 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.651 0.738 . . . . 75.22 109.614 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.654 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 21.9 mmt180 -137.75 134.04 34.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 72.2 111.007 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -50.77 16.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 70.14 111.548 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -49.87 51.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.369 0.604 . . . . 73.21 110.045 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.654 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 16.0 mp0 -59.03 -35.13 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.933 -1.03 . . . . 72.54 111.263 -175.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 62' ' ' ARG . 11.8 ttm180 -59.55 -45.73 90.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.221 0.534 . . . . 74.51 110.167 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -70.59 -32.3 69.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.612 -0.722 . . . . 75.33 111.184 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' NH2' ' HA ' ' A' ' 97' ' ' ASP . 25.8 mtm180 -60.87 -41.61 96.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.727 0.299 . . . . 72.41 110.259 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.9 mm -65.15 -43.12 95.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 74.3 110.383 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.554 ' HG2' HD23 ' A' ' 49' ' ' LEU . 58.7 mtpt -65.16 -40.55 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 64.03 110.887 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.25 -50.1 64.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 111.241 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 101' ' ' LEU . 3.2 tm? -56.57 -48.8 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.083 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 p -68.91 -54.17 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.487 -0.324 . . . . 72.02 111.241 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -59.61 -31.69 69.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.518 . . . . 72.22 111.859 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -81.14 -21.95 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.8 0.333 . . . . 75.54 111.294 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 m -98.68 -44.68 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.009 0.374 . . . . 61.22 112.009 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.404 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 40.6 m-85 -59.84 -37.34 78.98 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.872 0.368 . . . . 73.44 111.643 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -71.45 -32.54 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.004 0.43 . . . . 73.44 111.41 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.9 1.82 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.459 0.54 . . . . 71.12 112.459 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.457 HH21 ' CD ' ' A' ' 79' ' ' GLU . 23.7 mmm180 -114.15 21.75 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.512 -0.551 . . . . 70.44 109.512 176.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.616 HE22 ' HG3' ' A' ' 45' ' ' PRO . 7.4 tp60 -61.95 -21.18 64.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.174 -0.921 . . . . 73.42 112.171 -175.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.36 -45.31 32.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.847 0.356 . . . . 61.1 111.126 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' CD ' HH21 ' A' ' 76' ' ' ARG . 13.4 pt-20 -89.09 -33.97 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 64.11 110.885 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 81' ' ' PRO . 46.3 tp -95.21 111.2 54.12 Favored Pre-proline 0 N--CA 1.448 -0.532 0 N-CA-C 109.011 -0.737 . . . . 52.24 109.011 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 80' ' ' LEU . 10.0 Cg_endo -52.64 137.53 58.78 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.081 2.521 . . . . 75.23 112.412 -176.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.81 104.84 0.21 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.787 -0.642 . . . . 53.32 110.668 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.498 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 26.0 ptt? -147.89 168.62 21.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 52.33 109.431 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.566 ' HB3' ' HG3' ' A' ' 17' ' ' GLN . 3.3 m-20 -96.67 141.53 29.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.01 0.433 . . . . 64.13 110.527 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.06 148.41 26.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 72.1 111.64 -173.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.89 133.69 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 71.51 109.439 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 t -110.52 108.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.86 -0.422 . . . . 73.12 109.86 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.34 104.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.691 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -94.53 125.85 39.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.28 -0.637 . . . . 73.3 109.28 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 31' ' ' PRO . 85.7 mttt -101.98 -161.92 0.89 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.387 . . . . 70.13 111.635 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -78.85 113.28 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.84 -173.684 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 -10.68 8.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.621 -0.799 . . . . 72.23 112.791 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.9 p -61.5 -22.69 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.087 0.47 . . . . 71.1 111.593 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.9 -6.47 49.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 63.31 111.463 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.81 -16.02 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 72.25 110.469 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.32 114.29 14.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 75.03 110.215 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' HA ' ' NH2' ' A' ' 64' ' ' ARG . 53.4 m-20 -97.13 -169.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.063 -0.517 . . . . 73.34 111.14 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -47.45 -46.4 26.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.661 0.785 . . . . 64.03 113.093 -172.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -84.95 -37.5 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 75.23 110.602 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.12 98.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.722 -0.672 . . . . 64.21 111.415 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -67.69 -19.89 65.22 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.639 -0.255 . . . . 70.32 111.485 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 m -80.9 -42.93 20.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 72.22 110.289 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.98 -23.08 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.959 -0.564 . . . . 72.23 111.063 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.25 -30.28 30.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.382 . . . . 64.55 110.687 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 108' ' ' LEU . 3.2 tm? -63.49 -47.83 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.761 -0.654 . . . . 72.44 110.298 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -26.36 66.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.507 -177.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -68.45 -60.12 2.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.187 0.517 . . . . 64.31 110.109 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 105' ' ' LEU . 4.2 pp -67.95 -29.67 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 70.42 110.86 -176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -59.83 -60.52 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.51 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -68.3 -25.75 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.563 -0.289 . . . . 75.12 111.552 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HG3' ' HB1' ' A' ' 28' ' ' ALA . 21.2 tpp180 -62.76 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 74.41 110.465 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -85.43 -34.7 21.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 64.42 110.685 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 39.3 t -62.82 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 71.44 110.989 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 114' ' ' ARG . 15.5 mmt180 -98.59 17.05 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 71.41 111.245 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 54.1 tp -117.81 -32.2 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.214 0.531 . . . . 71.31 110.128 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.21 -2.86 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 61.54 111.72 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 70.2 110.423 179.025 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 112.041 0.386 . . . . 73.21 112.041 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.05 -45.46 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 71.43 110.371 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -69.63 -23.39 63.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.095 0.474 . . . . 64.35 110.618 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -78.17 -46.24 21.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.605 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 38' ' ' ARG . 31.4 m -75.18 -24.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 53.22 111.286 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -73.78 -15.53 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.429 -0.35 . . . . 74.01 110.986 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.62 -54.45 46.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 74.31 110.206 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -163.13 96.13 1.08 Allowed Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.825 -0.625 . . . . 74.11 109.609 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.488 ' HG2' HD22 ' A' ' 36' ' ' LEU . 87.8 Cg_endo -94.71 178.42 0.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.339 2.692 . . . . 53.33 112.556 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -91.95 98.52 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.983 -0.553 . . . . 62.53 109.591 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -74.48 102.71 4.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.689 -0.486 . . . . 73.43 109.689 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.64 110.3 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.474 -0.33 . . . . 51.52 110.786 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.05 -170.43 30.77 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.233 -0.747 . . . . 72.13 111.233 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 44.5 p -92.96 171.58 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 117.151 0.475 . . . . 42.22 110.245 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 47.0 Cg_exo -57.95 -45.11 34.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.585 2.19 . . . . 71.4 112.564 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -60.26 -48.51 81.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.468 -0.333 . . . . 70.01 111.297 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tt -114.13 98.68 7.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.895 0.855 . . . . 74.12 110.457 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -98.53 97.47 8.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 72.25 111.017 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.416 ' H ' HD12 ' A' ' 35' ' ' ILE . 4.8 mp -83.36 116.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.762 -0.458 . . . . 64.01 109.762 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 25' ' ' PRO . 90.4 mt -114.65 133.6 55.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.297 -0.41 . . . . 62.25 110.59 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.18 145.59 12.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.856 -0.688 . . . . 61.54 111.81 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HB3' HG12 ' A' ' 21' ' ' VAL . 35.8 ttt85 -142.09 139.6 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.599 -0.519 . . . . 74.33 109.599 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.56 111.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.033 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -142.95 168.43 19.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.35 -0.841 . . . . 74.32 109.044 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -70.9 84.97 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 75.43 110.156 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' ' 83' ' ' MET . 82.3 mt -122.08 -65.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.958 -0.564 . . . . 71.3 109.845 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.15 30.12 74.84 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.941 -0.572 . . . . 63.2 113.178 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 38.3 m80 -134.36 121.37 15.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.949 -0.389 . . . . 75.32 109.949 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 6.8 Cg_exo -72.48 97.44 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.789 2.326 . . . . 55.15 111.381 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -146.09 133.26 20.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.071 -0.513 . . . . 72.45 110.417 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 tt -84.99 117.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.268 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.69 54.26 4.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.06 -0.59 . . . . 72.41 111.912 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.559 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 63.5 tp -62.28 112.95 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.995 0.426 . . . . 40.12 110.68 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -108.81 91.31 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.348 0.594 . . . . 72.44 110.293 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.439 ' HA ' ' ND2' ' A' ' 55' ' ' ASN . 3.1 p -111.08 102.46 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 74.42 110.074 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 174.23 7.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 61.03 111.403 -175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -57.25 -28.45 62.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.567 -0.742 . . . . 72.21 111.951 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -94.24 2.59 55.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 64.52 111.543 -175.325 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.468 HD22 ' HB3' ' A' ' 89' ' ' ALA . 3.8 m-20 -84.85 -48.23 9.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.297 0.57 . . . . 63.24 109.627 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 62' ' ' ARG . 38.8 t -132.47 116.82 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.526 -0.761 . . . . 75.32 109.679 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.99 -35.74 81.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 65.52 110.557 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.09 113.31 9.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.508 . . . . 70.32 109.933 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -63.87 -32.86 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.041 0.448 . . . . 62.24 111.228 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -66.87 -37.46 84.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.156 0.503 . . . . 71.31 110.601 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.51 -18.66 32.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 75.43 112.015 -172.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 5.8 ptp180 -73.47 -13.97 61.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.275 0.56 . . . . 75.4 109.733 175.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.79 -27.44 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 60.22 109.366 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -59.15 -43.93 92.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.324 -0.853 . . . . 75.52 110.813 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.91 -33.76 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 115.943 -0.571 . . . . 62.54 110.837 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 59.8 mttp -66.89 -45.72 77.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.017 -0.538 . . . . 64.14 110.748 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -70.04 -19.68 63.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 74.33 111.374 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 101' ' ' LEU . 3.0 tm? -85.13 -58.51 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 73.34 110.541 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -67.63 -31.3 71.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.454 . . . . 74.01 112.021 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -71.83 -18.16 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.994 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.57 -37.34 79.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 74.12 110.937 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.437 ' OG ' HD11 ' A' ' 105' ' ' LEU . 4.3 m -79.0 -58.88 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.59 . . . . 64.12 111.895 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -62.36 -27.58 69.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.24 0.459 . . . . 73.14 112.24 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 74' ' ' ARG . 20.6 ttt180 -76.56 -25.83 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.371 . . . . 74.21 111.285 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 75' ' ' LEU . 2.0 tm? -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 63.4 110.331 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -95.67 44.53 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.337 0.589 . . . . 74.11 110.002 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -81.27 -4.79 56.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.878 0.696 . . . . 71.0 112.878 -168.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -110.2 -18.02 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.594 0.59 . . . . 74.32 112.594 -177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' HA ' HH21 ' A' ' 117' ' ' ARG . 41.9 tt0 -72.7 -44.73 61.38 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.653 -0.419 . . . . 74.24 110.073 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.2 pp -92.68 154.86 42.28 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 62.3 110.376 178.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 17.4 Cg_exo -67.68 147.61 76.21 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.801 2.334 . . . . 70.03 112.397 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.05 95.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 70.41 111.054 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.463 ' HG3' HD12 ' A' ' 42' ' ' LEU . 41.4 ttm -147.2 154.88 41.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 71.01 109.843 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.48 92.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.866 -0.42 . . . . 72.11 109.866 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -74.97 94.71 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.619 -0.511 . . . . 73.45 109.619 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -72.19 101.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.261 0.553 . . . . 74.13 110.452 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 58.0 t -86.86 98.0 6.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.663 -0.699 . . . . 73.53 110.1 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.1 t -88.27 102.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.754 -0.657 . . . . 73.21 109.807 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB3' HD22 ' A' ' 55' ' ' ASN . . . -84.36 149.34 26.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.836 -0.62 . . . . 70.4 110.375 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.629 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -109.53 174.79 5.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.589 -0.523 . . . . 63.14 109.589 175.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -76.35 104.54 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 63.42 108.994 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.75 -5.1 1.09 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.673 -0.775 . . . . 61.14 112.308 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.08 -19.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 71.42 111.482 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.9 3.7 55.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 73.44 110.781 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.11 -16.96 33.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 74.3 110.092 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.01 139.13 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 75.53 111.045 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.58 161.43 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.757 -0.656 . . . . 73.25 110.718 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.08 -43.11 77.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.315 -0.402 . . . . 71.34 111.745 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -82.41 -23.43 34.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 75.33 110.714 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.44 71.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.914 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD13 ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -72.25 -29.42 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.538 -0.301 . . . . 70.4 111.201 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.484 ' N ' HD12 ' A' ' 101' ' ' LEU . 74.5 p -75.63 -25.91 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 63.21 110.15 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -69.6 -52.54 25.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.869 -0.605 . . . . 75.35 109.563 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -59.17 -30.71 68.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.877 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 7.2 tt -54.57 -52.5 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.426 -0.806 . . . . 65.42 110.912 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.554 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.1 OUTLIER -69.08 -26.6 65.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.702 -0.399 . . . . 45.22 111.037 -176.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.554 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.7 mmmt -66.41 -43.35 86.02 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.864 -0.421 . . . . 63.52 109.864 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -78.24 -29.68 48.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 70.31 110.525 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -62.26 -56.62 16.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.265 . . . . 74.12 110.539 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.3 -30.96 70.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.075 0.464 . . . . 72.32 110.579 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -66.08 -43.83 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.818 -0.628 . . . . 74.05 110.326 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.78 -40.8 83.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.482 -0.326 . . . . 74.0 110.798 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.7 -48.92 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.469 0.481 . . . . 65.2 111.395 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.52 -36.28 71.0 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.522 -0.308 . . . . 75.32 111.263 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.12 -47.7 34.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 -0.274 . . . . 72.42 110.717 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.27 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.171 0.51 . . . . 63.13 111.069 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.447 HH21 ' HA ' ' A' ' 79' ' ' GLU . 77.4 mtt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.503 0.668 . . . . 65.33 109.491 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' VAL . 79.5 mt-30 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 64.11 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.63 -43.92 76.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 64.14 110.856 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.09 12.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.763 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 52.3 t80 -130.36 -47.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.079 -0.388 . . . . 63.41 111.09 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 17' ' ' GLN . 36.0 m -79.95 -23.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.674 0.273 . . . . 74.21 111.617 -177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -79.14 -7.43 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 73.42 110.667 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 73.9 mt-30 -60.77 -44.53 96.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 54.44 109.91 175.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.85 81.52 14.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 73.34 109.446 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HB2' HD22 ' A' ' 36' ' ' LEU . 52.0 Cg_endo -88.9 110.55 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.656 2.237 . . . . 65.22 112.439 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 140.87 41.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.015 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -79.54 97.57 6.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 65.42 111.201 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.81 145.44 48.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 74.51 110.595 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.14 169.74 43.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.944 -0.645 . . . . 73.35 112.691 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -60.43 141.75 91.24 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.527 0.331 . . . . 74.11 110.331 178.315 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 30' ' ' THR . 51.0 Cg_exo -54.73 -31.6 72.31 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.789 2.326 . . . . 54.24 112.839 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -66.85 -20.26 65.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 72.14 111.381 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 tt -140.63 93.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.995 0.903 . . . . 74.42 109.436 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 m -86.43 102.22 13.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.534 -0.757 . . . . 73.34 111.588 -171.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.5 HG13 HG13 ' A' ' 87' ' ' VAL . 4.5 mp -79.7 101.55 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.373 -0.602 . . . . 75.43 109.373 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.741 ' HB2' HG13 ' A' ' 86' ' ' VAL . 98.7 mt -82.17 102.85 11.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.383 -0.599 . . . . 74.52 109.383 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.22 144.69 15.8 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.488 -0.863 . . . . 54.4 112.893 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -150.55 138.9 20.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.926 -0.768 . . . . 75.44 108.926 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.6 pt? -61.9 130.25 44.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.883 0.373 . . . . 75.25 110.111 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -134.32 -174.42 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 54.11 110.345 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -107.6 15.08 25.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.89 0.376 . . . . 74.13 110.946 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.26 -59.64 2.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 73.43 110.054 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.93 61.91 5.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.211 -0.519 . . . . 74.11 113.149 174.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' HB3' ' A' ' 84' ' ' ASP . 33.7 m80 -137.11 140.78 32.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 122.672 -0.31 . . . . 74.45 110.589 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 10.8 Cg_exo -72.9 40.59 0.5 Allowed 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 123.177 2.585 . . . . 73.13 112.91 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -90.9 86.66 6.36 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.576 -0.527 . . . . 65.24 109.576 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.56 HD11 ' HB ' ' A' ' 69' ' ' THR . 4.2 tt -71.85 116.71 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.383 -0.826 . . . . 74.44 111.098 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.69 109.99 3.73 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.677 -0.773 . . . . 65.3 112.044 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HG ' HG23 ' A' ' 51' ' ' VAL . 58.1 tp -99.96 130.86 46.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.833 0.349 . . . . 71.42 110.578 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.411 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 24.8 m -110.52 106.92 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 62.51 110.898 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG23 ' HG ' ' A' ' 49' ' ' LEU . 95.6 t -133.45 124.79 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.481 -0.563 . . . . 70.31 109.481 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.509 ' H ' ' HB2' ' A' ' 55' ' ' ASN . . . -131.89 -170.97 2.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.639 -0.255 . . . . 72.14 111.346 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -55.24 -49.77 71.17 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.922 0.764 . . . . 73.23 112.278 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -84.55 -5.86 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.898 -0.321 . . . . 50.15 111.22 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.509 ' HB2' ' H ' ' A' ' 52' ' ' ALA . 1.6 m-20 -84.95 -57.55 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.294 -0.632 . . . . 53.12 109.294 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.687 ' HB ' ' HG2' ' A' ' 62' ' ' ARG . 42.6 t -133.88 116.99 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.923 -0.769 . . . . 74.12 108.923 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -82.49 -25.67 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.255 -0.429 . . . . 75.41 111.908 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.1 136.66 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.393 . . . . 72.31 111.052 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.06 89.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.715 -0.675 . . . . 62.53 112.736 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -60.3 -35.18 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 74.4 111.217 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' ILE . 10.6 mm-40 -76.36 -26.21 55.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.904 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.687 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 20.5 mtm180 -65.69 -38.66 89.87 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.141 -0.688 . . . . 72.12 109.141 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.4 -30.84 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.281 -0.872 . . . . 73.23 110.48 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -66.68 -36.07 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.42 109.908 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.3 mm -67.4 -31.82 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.262 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HG2' HD23 ' A' ' 49' ' ' LEU . 94.1 mttt -67.1 -12.46 60.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 71.32 111.041 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 60.9 mtp180 -96.12 -46.22 6.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.347 . . . . 71.22 110.461 175.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.56 -44.71 13.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.65 0.594 . . . . 62.41 110.917 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.56 ' HB ' HD11 ' A' ' 47' ' ' ILE . 18.8 p -85.33 -58.18 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.958 -0.564 . . . . 72.15 111.934 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -62.66 -26.84 68.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 74.03 112.583 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 2.1 tp10 -74.4 -37.63 63.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 71.33 110.284 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 p -91.78 -45.63 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.338 0.495 . . . . 61.3 112.338 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -57.78 -36.54 72.31 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 71' ' ' GLU . 17.8 ptt-85 -82.0 -23.26 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.795 -0.362 . . . . 73.43 111.034 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.59 4.34 53.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.333 0.587 . . . . 74.12 110.848 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.509 ' HD3' ' CD1' ' A' ' 109' ' ' TRP . 94.2 mtt180 -126.4 26.59 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.985 -0.552 . . . . 60.34 109.971 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -59.49 -26.51 65.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.35 0.87 . . . . 71.24 113.35 -172.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -91.48 1.02 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.23 0.538 . . . . 75.13 110.911 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG2' ' HZ2' ' A' ' 109' ' ' TRP . 7.4 tp10 -132.31 27.72 4.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.515 -0.92 . . . . 71.44 108.515 176.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.42 124.81 15.13 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.806 -1.088 . . . . 65.14 109.923 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.19 121.36 9.87 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.101 1.867 . . . . 72.45 110.727 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' HE3' ' A' ' 83' ' ' MET . . . -68.41 83.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 72.22 111.296 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 1.6 mmt -140.76 150.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.654 -0.869 . . . . 74.43 108.654 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.525 ' HB3' ' O ' ' A' ' 44' ' ' HIS . 5.4 p-10 -93.54 134.06 36.2 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.951 0.405 . . . . 74.42 110.333 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 83' ' ' MET . 30.3 m-85 -126.98 163.9 22.67 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.942 -0.572 . . . . 61.01 110.918 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.741 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.0 p -114.42 112.56 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.543 0.687 . . . . 72.01 109.564 173.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.5 HG13 HG13 ' A' ' 35' ' ' ILE . 40.6 t -96.8 112.62 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.825 -175.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' HA ' ' HB ' ' A' ' 50' ' ' THR . 39.5 t -100.57 103.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.999 0.428 . . . . 74.23 110.345 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 125.32 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 73.41 109.781 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.7 mmmm -100.19 169.22 9.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.79 0.329 . . . . 65.0 110.579 -175.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.37 110.76 4.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.381 0.61 . . . . 74.22 109.779 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.522 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 149.66 -43.75 0.75 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.765 -0.934 . . . . 45.22 110.765 -176.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 90' ' ' LYS . 13.5 p -66.75 -21.56 28.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.515 0.674 . . . . 62.11 110.31 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -17.95 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.67 -0.696 . . . . 62.43 110.728 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.37 75.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.619 . . . . 74.31 110.291 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 85.5 mt -142.23 158.73 43.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 71.55 109.647 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.9 149.72 46.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 75.2 110.346 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -61.25 -32.6 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.713 0.768 . . . . 73.33 109.161 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -63.6 -36.21 83.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.614 -1.175 . . . . 73.14 110.417 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.21 52.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 50.31 111.1 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 91.0 mt -60.37 -38.2 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 74.22 110.045 176.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 t -64.97 -37.15 86.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.84 -0.618 . . . . 62.32 110.328 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 26.1 mm-40 -66.78 -45.77 77.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 34.14 110.609 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.13 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.942 -0.572 . . . . 64.24 111.748 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 101' ' ' LEU . 93.8 mt -59.02 -38.98 80.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.16 -0.473 . . . . 61.12 112.098 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.44 -26.28 23.35 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.755 -0.378 . . . . 73.51 111.653 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 31.1 mmmt -61.89 -40.5 95.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 74.23 110.884 -176.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -84.37 5.51 26.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 75.31 111.351 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.509 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 28.0 t90 -114.44 -47.02 2.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.248 -0.433 . . . . 74.21 111.272 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -57.71 -56.7 18.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.76 0.314 . . . . 72.12 110.481 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -59.56 -27.95 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 71.32 110.715 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -70.2 -55.22 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.438 . . . . 73.52 111.107 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.18 -40.18 62.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 71.45 110.724 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -60.66 -39.73 89.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.473 -0.33 . . . . 75.23 110.886 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.9 -42.49 90.13 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.771 0.32 . . . . 44.42 110.198 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 24.24 111.338 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 62.34 111.468 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 . . . . . 0 C--O 1.227 -0.091 0 N-CA-C 111.385 0.143 . . . . 75.31 111.385 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.35 -33.3 70.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 70.04 110.282 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -91.48 -26.37 18.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.255 0.55 . . . . 71.32 110.28 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -20.1 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 73.24 110.885 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.512 HG12 ' NE ' ' A' ' 38' ' ' ARG . 30.7 m -95.04 -7.85 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 74.53 110.893 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -85.43 9.3 16.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 72.25 111.406 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 12.8 mm-40 -75.98 -54.59 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 65.43 110.463 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -156.46 88.8 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.16 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -86.77 131.14 3.24 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.936 2.424 . . . . 73.41 111.757 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 13.5 pt20 -82.53 128.57 34.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 72.33 110.158 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.2 106.24 3.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.622 -0.717 . . . . 72.12 110.659 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.19 66.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 31.42 111.001 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.15 -159.7 9.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.919 -0.658 . . . . 33.41 112.077 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.1 p -120.68 166.81 14.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 110.11 -0.33 . . . . 74.32 110.11 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.2 -22.64 53.55 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.568 2.179 . . . . 74.12 112.204 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -86.64 -38.61 16.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 71.01 110.313 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 tt -148.14 118.24 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.338 0.589 . . . . 73.05 109.954 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -106.26 119.47 39.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 75.41 111.53 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.525 HG13 HG13 ' A' ' 87' ' ' VAL . 4.1 mp -95.02 104.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.571 -0.529 . . . . 53.3 109.571 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 86' ' ' VAL . 97.0 mt -92.65 132.05 37.22 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.705 -0.479 . . . . 74.03 109.705 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.53 161.11 22.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.009 -1.091 . . . . 73.43 112.483 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NE ' HG12 ' A' ' 21' ' ' VAL . 23.1 ptt180 -129.44 151.58 49.92 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.846 -0.427 . . . . 71.24 109.846 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.57 100.93 4.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 63.04 110.588 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -133.18 86.05 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.148 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 m -83.68 36.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 73.22 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.25 7.23 40.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 62.14 110.29 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.82 55.39 11.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.25 -0.5 . . . . 62.51 113.022 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -120.16 90.85 45.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 122.62 -0.341 . . . . 75.45 110.732 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.28 96.44 0.47 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.655 2.236 . . . . 70.31 111.877 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.596 ' HB3' ' HA ' ' A' ' 84' ' ' ASP . 10.9 tpp180 -115.33 112.66 22.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.885 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.6 tt -93.6 80.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 122.096 0.951 . . . . 71.14 108.775 171.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.89 70.35 3.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.288 -0.869 . . . . 74.03 112.316 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.634 ' HG ' HG23 ' A' ' 51' ' ' VAL . 32.3 tp -65.31 119.72 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.954 0.407 . . . . 74.53 110.232 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -109.83 84.43 1.92 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.276 0.56 . . . . 72.25 110.216 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.634 HG23 ' HG ' ' A' ' 49' ' ' LEU . 86.6 t -113.62 91.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.311 0.577 . . . . 73.41 109.821 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.14 140.41 47.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.568 -0.742 . . . . 64.13 110.026 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -73.85 55.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.846 0.831 . . . . 54.34 111.647 -179.752 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -150.46 -26.95 0.23 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.829 -1.078 . . . . 73.43 109.726 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -85.14 -30.76 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.799 -0.637 . . . . 74.3 109.693 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -100.02 111.34 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 71.33 108.981 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.98 -42.75 69.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 75.33 111.716 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.631 ' HB3' ' HG2' ' A' ' 61' ' ' GLU . 2.3 tpm_? -94.91 116.04 28.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.244 -0.651 . . . . 75.31 109.244 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -57.81 -40.46 80.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.098 0.777 . . . . 70.34 113.098 -170.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.49 -16.15 63.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.914 0.339 . . . . 75.42 111.914 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.631 ' HG2' ' HB3' ' A' ' 58' ' ' ARG . 12.1 mm-40 -83.01 -17.18 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.915 0.339 . . . . 72.22 111.915 -171.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 27.0 ptt180 -69.91 -14.57 62.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.79 0.329 . . . . 71.41 111.728 -175.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -67.23 -27.55 67.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.408 -0.36 . . . . 75.2 111.782 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 3.9 mpt_? -76.91 -26.55 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 63.42 110.756 -176.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.66 -43.0 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.581 . . . . 71.21 110.67 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.639 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 42.9 pttt -73.57 -30.64 63.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 60.43 110.758 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -69.11 -48.02 63.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 65.01 110.709 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.64 -48.38 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 74.33 110.12 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 p -69.17 -38.41 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.086 -0.506 . . . . 74.14 111.328 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.639 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.9 -52.95 62.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 72.34 110.622 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.04 -32.13 72.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.495 -0.321 . . . . 75.5 111.081 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -71.71 -38.04 70.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 74.11 110.627 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -59.77 -41.99 92.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.108 0.48 . . . . 71.35 110.421 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 5.2 ptm180 -88.33 9.81 21.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 75.35 111.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.7 tp -100.35 -29.83 12.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.741 0.305 . . . . 71.13 111.06 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.626 ' NH2' ' HA ' ' A' ' 113' ' ' CYS . 29.3 ttt180 -113.03 21.97 14.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.143 0.423 . . . . 74.53 112.143 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -12.75 47.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.646 -0.659 . . . . 54.33 111.831 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -85.3 -12.87 51.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.964 0.411 . . . . 54.41 110.48 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.06 9.22 3.0 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.156 0.503 . . . . 45.52 110.571 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.529 HD12 ' HD2' ' A' ' 81' ' ' PRO . 34.2 tp -128.75 125.84 23.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 71.3 111.281 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' A' ' 80' ' ' LEU . 2.7 Cg_exo -76.33 110.37 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.76 2.307 . . . . 74.43 110.667 169.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 108.5 2.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 74.32 111.291 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.7 mtm -125.39 -166.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.916 -0.584 . . . . 72.55 110.585 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.596 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 11.6 t70 -93.35 116.42 28.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.575 -0.739 . . . . 64.14 110.092 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -133.24 140.72 47.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 74.22 110.666 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 36' ' ' LEU . 15.5 m -113.99 120.84 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.367 0.604 . . . . 75.02 110.1 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.525 HG13 HG13 ' A' ' 35' ' ' ILE . 37.2 t -98.01 102.51 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.841 -0.618 . . . . 72.01 110.758 -174.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.17 111.18 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 70.24 110.506 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -88.75 135.45 33.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.869 -0.605 . . . . 43.53 110.966 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.27 172.45 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.262 -0.426 . . . . 64.32 110.406 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 44.6 mtpt -65.04 130.89 45.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.032 0.444 . . . . 73.3 110.789 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.92 -6.43 47.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.696 -0.764 . . . . 63.54 112.347 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.546 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.5 p -60.43 -26.98 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.939 0.4 . . . . 71.32 111.519 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.41 -13.7 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.49 . . . . 75.41 111.136 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.18 56.58 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.872 0.844 . . . . 73.22 109.661 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 2.7 pp -96.84 169.48 9.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.074 -0.967 . . . . 71.31 111.211 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.28 149.65 43.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.739 -0.664 . . . . 72.31 109.516 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -60.59 -33.18 72.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.817 0.342 . . . . 74.55 111.6 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 22.6 ttm180 -80.13 -45.9 17.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.625 -0.509 . . . . 74.32 109.625 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.22 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 74.1 112.53 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 102' ' ' SER . 4.6 pp -64.12 -27.22 68.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.689 0.281 . . . . 74.45 111.202 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 101' ' ' LEU . 14.6 t -80.43 -29.91 37.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.104 0.478 . . . . 73.53 109.815 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 35.7 mt-10 -74.07 -36.62 64.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 73.55 110.087 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.703 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -80.19 -20.73 44.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 74.03 111.053 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.71 -43.19 94.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 62.04 110.385 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.466 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -72.12 -18.74 61.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.33 110.94 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.703 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.2 mmmt -68.26 -46.59 70.04 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.383 -0.599 . . . . 63.33 109.383 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.87 -31.28 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.485 -0.779 . . . . 63.32 110.484 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -63.76 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 74.11 109.9 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -67.72 -30.17 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 72.15 111.842 -173.461 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -59.83 -34.61 73.31 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.103 0.478 . . . . 72.24 110.838 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -105.83 15.36 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 64.15 110.269 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.626 ' HA ' ' NH2' ' A' ' 76' ' ' ARG . 42.0 t -99.02 -63.13 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.757 -0.656 . . . . 65.41 110.232 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.04 -45.24 95.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 74.03 111.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 71.13 111.055 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.2 -26.75 42.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.29 -0.413 . . . . 73.42 111.375 -177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 111.755 0.279 . . . . 74.53 111.755 -174.703 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.157 -0.682 . . . . 74.04 109.157 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.5 -25.08 65.81 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.302 -0.863 . . . . 74.25 111.128 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.1 m -77.14 -41.66 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 72.11 110.869 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -83.34 -27.14 29.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.417 -0.356 . . . . 70.0 110.911 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 9.3 p -67.5 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.148 0.499 . . . . 54.23 110.377 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.85 -22.03 40.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 74.03 109.889 176.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.01 -53.43 10.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 72.13 110.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -147.29 94.78 4.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.869 -0.605 . . . . 73.04 109.899 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HB2' HD22 ' A' ' 36' ' ' LEU . 89.8 Cg_endo -86.2 159.96 9.91 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.971 2.447 . . . . 53.31 113.419 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 40.7 mt-30 -99.23 140.96 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.919 . . . . 72.34 108.517 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.26 103.41 13.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.871 0.367 . . . . 73.33 110.372 -175.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.96 169.39 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 71.51 110.497 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 -145.13 19.53 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.865 -0.683 . . . . 63.43 112.312 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.584 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 55.5 p -123.34 169.59 9.87 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 75.21 110.346 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.584 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 17.6 Cg_endo -60.09 -14.44 28.53 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 72.41 112.314 172.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.12 -53.59 4.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.673 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.551 HD13 HD21 ' A' ' 108' ' ' LEU . 8.6 tt -112.57 100.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.522 0.677 . . . . 65.22 110.028 176.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.524 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 20.8 m -94.25 119.07 32.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.598 -0.728 . . . . 70.05 111.187 -176.235 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -101.97 132.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.715 -0.675 . . . . 44.55 109.736 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 25' ' ' PRO . 75.9 mt -103.37 -96.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 73.04 111.078 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.71 121.91 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.938 -0.649 . . . . 33.01 113.063 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.7 mmt180 -138.68 98.91 3.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.094 0.473 . . . . 74.43 111.032 175.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.5 tp -82.77 88.45 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 64.05 110.509 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.37 -49.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 63.5 110.422 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -165.59 92.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 62.31 110.497 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 tp -170.42 -66.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.218 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 82' ' ' ALA . . . 70.32 21.63 77.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.986 -0.626 . . . . 42.32 112.89 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.4 t-80 -132.11 116.51 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.653 -0.499 . . . . 71.35 109.653 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 83' ' ' MET . 47.3 Cg_exo -57.12 143.78 92.1 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 123.384 2.723 . . . . 75.13 113.834 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -141.66 118.95 11.43 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.392 -0.822 . . . . 73.44 109.555 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 47' ' ' ILE . 9.3 tt -81.77 86.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 122.045 0.926 . . . . 60.03 109.861 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.46 67.33 3.48 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.481 -0.781 . . . . 53.45 112.208 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.514 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 55.4 tp -64.81 99.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.214 0.53 . . . . 62.24 110.13 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -105.54 96.77 6.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.714 -0.675 . . . . 70.3 110.391 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.458 HG12 ' HB3' ' A' ' 89' ' ' ALA . 27.2 m -97.33 138.79 21.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.779 -0.646 . . . . 74.42 110.716 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' ND2' ' A' ' 55' ' ' ASN . . . -83.77 153.91 23.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.223 -0.444 . . . . 53.1 110.15 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -82.25 7.39 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.317 0.58 . . . . 73.21 110.151 -175.5 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -115.31 -5.57 12.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.431 -0.804 . . . . 71.41 110.631 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 52' ' ' ALA . 81.3 m-20 -101.52 -54.19 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 54.14 111.142 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -81.8 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 71.42 109.835 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.816 ' HG3' ' HD3' ' A' ' 58' ' ' ARG . 13.2 ptm180 -90.59 -23.72 20.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.045 -0.525 . . . . 75.32 111.699 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.816 ' HD3' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -109.47 137.44 47.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.245 -0.28 . . . . 72.32 110.245 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.94 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 74.14 111.55 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -71.97 -8.79 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.153 0.427 . . . . 72.51 112.153 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 94' ' ' ALA . 0.6 OUTLIER -88.64 -23.39 23.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 73.31 110.468 173.648 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -66.3 -38.13 87.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 63.53 110.296 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -89.17 -0.03 57.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.822 -0.627 . . . . 73.01 110.638 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 23.0 ttt180 -94.23 -43.83 8.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.702 -0.681 . . . . 74.01 110.413 -176.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.17 -36.39 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.931 -0.577 . . . . 73.14 111.473 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 17.1 ptpt -80.98 10.19 5.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.766 0.317 . . . . 71.2 111.847 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -90.03 -47.57 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 73.54 109.608 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.61 -43.72 79.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 64.35 109.982 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' A' ' 66' ' ' LYS . 9.5 p -71.95 -25.31 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 54.42 111.773 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -60.06 -38.12 81.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 72.45 111.451 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.0 -37.3 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 71.15 111.961 -173.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -69.7 -12.2 61.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.336 0.495 . . . . 71.23 112.336 -172.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.24 10.39 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.973 0.36 . . . . 72.42 111.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -139.18 -36.07 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.404 -0.519 . . . . 60.5 112.327 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.2 19.67 0.16 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.857 0.688 . . . . 65.44 112.857 -173.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -136.61 27.78 3.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.678 -0.489 . . . . 74.52 109.678 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -13.14 55.32 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.754 1.02 . . . . 62.23 113.754 -169.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -77.88 -42.93 31.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.423 -0.511 . . . . 74.11 110.421 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -122.72 84.44 2.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.192 0.52 . . . . 75.0 109.684 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 tp -171.59 135.12 0.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.159 -0.928 . . . . 63.5 109.556 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HG2' ' HG ' ' A' ' 115' ' ' LEU . 23.0 Cg_exo -65.32 111.6 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.349 2.032 . . . . 71.21 111.541 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' HA2' ' A' ' 43' ' ' GLY . . . -76.55 98.43 4.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 71.33 111.197 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 26.5 ptt? -145.02 -165.54 2.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.66 -0.7 . . . . 51.41 109.253 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.582 ' OD2' HG23 ' A' ' 86' ' ' VAL . 2.4 p-10 -76.42 157.31 32.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.403 -0.591 . . . . 65.03 109.403 176.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HE2' ' HB3' ' A' ' 45' ' ' PRO . 82.2 m-85 -132.71 75.73 1.65 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.965 -0.383 . . . . 74.42 109.965 176.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.582 HG23 ' OD2' ' A' ' 84' ' ' ASP . 58.7 t -67.93 103.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 75.11 109.528 174.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.514 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 47.1 t -93.49 99.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.682 -0.69 . . . . 64.55 109.775 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 21.8 t -85.85 96.54 5.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.617 -0.512 . . . . 72.34 109.617 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB3' HG12 ' A' ' 51' ' ' VAL . . . -80.95 109.12 15.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.761 -0.654 . . . . 64.51 110.796 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.12 174.42 8.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.444 -0.798 . . . . 73.31 109.295 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.21 158.07 35.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.54 -0.541 . . . . 72.12 109.54 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.24 -23.1 29.62 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.61 -0.805 . . . . 62.44 111.37 -172.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -74.59 -32.08 28.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.838 0.352 . . . . 60.34 110.306 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . . . -80.61 63.9 5.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.374 0.607 . . . . 74.34 109.746 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -175.18 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.927 -1.033 . . . . 62.43 109.468 -173.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.35 115.09 3.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.483 -0.78 . . . . 71.35 111.877 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.85 163.77 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.166 -0.925 . . . . 70.15 110.518 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -50.97 -39.39 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.74 0.305 . . . . 73.2 111.197 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 13.9 ttm180 -65.65 -48.82 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 72.25 110.505 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.27 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 70.42 111.479 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.29 -45.39 94.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.158 0.504 . . . . 73.41 110.75 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -69.83 -38.22 76.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.908 -0.587 . . . . 74.31 110.993 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 29.4 mt-10 -77.15 -17.17 58.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 74.42 111.237 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.75 25.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.48 -0.327 . . . . 71.25 110.788 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 73.41 110.581 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.72 -31.87 73.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 74.44 111.132 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.61 -33.22 75.43 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.989 0.423 . . . . 72.32 110.218 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 33' ' ' ILE . 11.3 mp -72.0 -41.05 68.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 72.24 110.152 175.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -65.59 -42.38 91.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 73.1 111.205 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -59.17 -28.73 66.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.187 -0.46 . . . . 51.44 111.185 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -86.3 -37.34 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.887 0.375 . . . . 64.45 110.411 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -63.82 -45.04 91.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.26 -0.427 . . . . 74.21 111.287 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.67 -42.29 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.469 0.48 . . . . 75.32 111.14 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 114' ' ' ARG . 11.2 mmt180 -71.33 -37.73 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 74.34 111.138 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.415 ' HG ' ' HG2' ' A' ' 81' ' ' PRO . 48.9 tp -68.53 -30.21 68.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.481 . . . . 71.32 110.689 -178.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -17.4 56.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 75.21 112.262 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.983 -0.287 . . . . 73.42 111.632 -177.161 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 120.626 0.25 . . . . 64.23 111.668 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' HG21 ' A' ' 86' ' ' VAL . 78.0 m-85 -59.49 -40.58 87.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.198 -0.456 . . . . 64.14 111.108 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -88.56 -21.39 24.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 50.44 110.523 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -70.51 -42.08 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 74.24 111.175 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 38' ' ' ARG . 35.0 m -71.06 -24.13 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.495 -0.321 . . . . 64.41 111.421 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.39 -13.48 61.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 63.3 111.456 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.23 -33.3 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 61.03 110.785 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.91 89.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.26 -1.015 . . . . 74.11 108.26 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -97.16 170.35 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.441 2.761 . . . . 65.41 113.897 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -89.58 126.06 35.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.16 -0.927 . . . . 73.41 108.999 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.07 87.09 6.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 74.44 110.528 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.42 156.04 21.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 63.41 110.663 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.39 -145.61 17.7 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.769 -0.729 . . . . 42.11 112.427 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.474 ' HB ' ' CD ' ' A' ' 31' ' ' PRO . 23.7 p -133.92 173.3 6.0 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.334 -0.247 . . . . 71.51 110.334 -177.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' HB ' ' A' ' 30' ' ' THR . 23.4 Cg_exo -67.02 -11.71 33.31 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 74.54 112.853 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.491 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 11.4 pt20 -95.16 -31.48 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 62.12 110.148 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.8 tt -142.19 105.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.546 0.689 . . . . 70.54 109.728 176.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 m -103.44 125.27 49.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 74.54 111.054 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.511 HG13 HG13 ' A' ' 87' ' ' VAL . 3.6 mp -96.63 110.01 24.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.33 -0.619 . . . . 43.45 109.33 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.98 90.95 7.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.171 0.51 . . . . 75.42 109.969 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.76 162.6 17.48 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.561 -0.745 . . . . 74.13 111.383 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.552 ' HB3' HG12 ' A' ' 21' ' ' VAL . 20.3 ttt180 -166.72 124.63 1.35 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.281 -0.266 . . . . 65.44 110.281 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.9 pt? -56.25 126.8 27.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 74.33 109.522 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -153.17 155.68 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 74.0 110.443 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 m -84.89 95.42 9.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.233 0.54 . . . . 63.42 110.758 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -166.59 -47.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.224 -0.898 . . . . 73.12 109.094 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 68.69 48.05 52.21 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.822 -0.626 . . . . 60.14 111.851 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -109.13 89.65 7.05 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-O 120.995 0.426 . . . . 73.1 109.914 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 72.9 Cg_endo -83.41 84.28 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.346 2.031 . . . . 41.34 112.789 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -136.82 130.78 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD11 ' HB ' ' A' ' 69' ' ' THR . 10.0 tt -66.95 122.04 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.289 0.566 . . . . 54.23 110.528 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.51 53.06 0.67 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.768 -0.729 . . . . 63.43 112.606 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD21 HG22 ' A' ' 65' ' ' ILE . 33.6 tp -73.28 115.63 12.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.223 -0.288 . . . . 73.44 110.223 177.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -120.68 116.69 25.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.662 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -91.6 127.83 43.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.186 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.49 150.68 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 74.34 110.894 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -80.4 72.86 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 73.41 110.532 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -155.33 17.43 0.41 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.285 -0.87 . . . . 60.44 109.483 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.72 -64.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.888 -1.051 . . . . 75.43 109.577 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.2 t -104.74 116.55 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.656 -0.498 . . . . 72.21 109.656 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -106.59 -68.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 64.51 110.184 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 58' ' ' ARG . 18.0 mmt180 -131.94 98.35 4.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.312 0.577 . . . . 73.04 110.828 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.63 162.31 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.016 -0.993 . . . . 63.3 108.836 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -71.75 -13.32 61.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 70.42 110.201 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.1 mp0 -75.85 -5.13 44.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.259 -0.882 . . . . 53.11 111.033 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -45.15 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 70.43 109.587 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -87.59 -14.64 39.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 55.22 110.327 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 17.6 tpp180 -57.04 -48.61 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 72.41 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.552 HG22 HD21 ' A' ' 49' ' ' LEU . 37.4 mm -62.95 -42.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.557 -0.747 . . . . 64.23 111.153 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 66' ' ' LYS . 19.0 ptmt -82.06 -14.76 55.38 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.575 -0.45 . . . . 71.23 111.515 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -73.36 -54.8 7.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.982 0.42 . . . . 73.24 110.134 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -47.27 81.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.258 -0.883 . . . . 60.32 110.643 -176.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.471 ' HB ' HD11 ' A' ' 47' ' ' ILE . 23.3 p -71.62 -37.24 70.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 71.4 112.121 -176.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -66.0 -47.01 75.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 54.54 110.854 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.25 -32.11 68.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.806 -0.634 . . . . 70.14 111.186 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 p -76.84 -39.4 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.688 0.28 . . . . 73.42 110.768 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.37 -39.09 89.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.121 0.486 . . . . 73.53 110.443 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.66 -13.01 61.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.56 -0.746 . . . . 71.14 111.501 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 tp -109.55 -8.08 15.05 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.695 -0.402 . . . . 72.3 110.991 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -124.29 16.93 9.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.118 0.414 . . . . 74.24 112.118 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -19.26 63.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.039 0.385 . . . . 73.4 112.039 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -93.84 -10.71 33.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 71.32 109.969 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.67 2.46 53.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.536 -0.757 . . . . 53.52 109.704 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.54 156.54 60.05 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.272 -0.876 . . . . 64.34 109.993 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.54 148.27 53.49 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.741 2.294 . . . . 61.22 111.709 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -62.78 102.38 0.34 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.932 0.396 . . . . 54.42 110.748 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.0 ttm -148.98 152.36 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.624 -175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.68 120.4 21.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 74.23 110.288 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -116.5 105.83 12.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.102 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG21 ' HA ' ' A' ' 18' ' ' PHE . 49.6 t -88.24 105.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 53.01 110.053 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 35' ' ' ILE . 14.9 t -95.31 113.94 30.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.236 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.3 t -104.46 115.49 46.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.262 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -74.44 134.7 42.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 73.44 110.514 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -103.49 170.7 7.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.645 -0.502 . . . . 72.52 109.645 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -74.52 113.83 12.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.268 0.556 . . . . 70.1 111.001 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.08 -8.23 8.05 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.393 -0.821 . . . . 52.23 112.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 32' ' ' GLN . 13.5 p -68.73 -35.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.002 0.371 . . . . 74.01 112.002 -177.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -90.35 9.87 27.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 73.05 111.03 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -122.85 74.76 1.23 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.277 0.56 . . . . 50.41 110.099 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 pp -135.97 172.75 12.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.742 -0.663 . . . . 65.32 110.72 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.7 166.46 21.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 74.23 111.156 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.94 -46.05 88.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 45.42 110.149 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 14.9 ptm180 -63.02 -27.91 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 72.0 111.588 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.63 -20.41 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 73.5 111.455 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.89 -52.27 66.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.99 0.424 . . . . 70.21 110.502 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -70.98 -33.15 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 74.22 110.706 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 44.8 mt-10 -67.9 -50.73 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 72.0 110.823 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.36 -27.04 64.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.484 -0.326 . . . . 74.03 111.403 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.92 -53.4 56.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.53 . . . . 72.04 111.339 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 109' ' ' TRP . 13.3 pt-20 -75.32 -17.99 60.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.657 -0.417 . . . . 61.1 110.988 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 14.4 mmmm -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 72.25 110.359 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.47 -36.87 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.11 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 25.5 t90 -61.56 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.536 -0.757 . . . . 75.12 111.104 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -57.65 -30.07 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 70.35 111.338 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -62.31 -46.39 88.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 72.54 111.001 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -26.52 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 72.25 110.95 -174.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.54 -42.56 95.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.931 0.396 . . . . 62.32 110.756 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -69.03 -47.15 66.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.939 -0.573 . . . . 70.32 110.379 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.8 tp -67.51 -27.14 66.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.95 -0.568 . . . . 71.04 111.484 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.85 -12.01 61.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 71.55 111.33 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 74.45 109.724 178.156 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.513 ' HA ' HD21 ' A' ' 40' ' ' ASN . 8.3 pt20 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 112.403 0.52 . . . . 71.03 112.403 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -67.88 -36.99 81.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 74.52 111.327 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 20.1 m -69.85 -45.5 67.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 54.42 111.579 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.82 -42.15 99.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.34 111.423 -174.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 38' ' ' ARG . 11.7 p -78.39 -20.55 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 54.45 111.232 -176.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.56 -36.48 63.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 73.21 111.503 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.5 mm-40 -61.28 -57.88 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 71.45 111.742 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -133.79 82.8 49.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 61.52 110.613 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HB2' HD22 ' A' ' 36' ' ' LEU . 96.0 Cg_endo -82.67 144.05 12.3 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.803 2.336 . . . . 75.14 113.015 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -84.58 127.8 34.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.21 -0.663 . . . . 73.42 109.21 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -85.57 94.0 8.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.903 0.382 . . . . 73.34 110.061 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.46 168.72 9.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 64.41 110.792 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.577 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 90.23 -117.2 4.99 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.872 -0.68 . . . . 72.42 112.31 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.515 HG22 ' HD2' ' A' ' 31' ' ' PRO . 3.6 m -144.58 151.48 50.51 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.303 -0.629 . . . . 71.13 109.303 -177.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HD2' HG22 ' A' ' 30' ' ' THR . 73.1 Cg_exo -54.81 -29.11 61.28 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.156 1.904 . . . . 74.41 112.521 172.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -79.05 -39.93 32.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.061 0.458 . . . . 71.33 110.783 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 tt -131.29 97.31 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.912 0.863 . . . . 72.3 109.191 174.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -95.34 122.76 38.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.323 -0.853 . . . . 71.21 112.011 -168.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 HD12 ' A' ' 108' ' ' LEU . 53.3 mt -97.04 114.45 34.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.675 -0.693 . . . . 61.44 109.816 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 25' ' ' PRO . 84.7 mt -100.32 103.75 15.17 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.41 -0.589 . . . . 65.5 109.41 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.03 148.89 18.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.648 -0.787 . . . . 54.02 112.829 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HB2' HG23 ' A' ' 21' ' ' VAL . 17.5 mmt180 -158.39 146.62 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.167 0.587 . . . . 72.15 109.596 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.742 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -67.52 104.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.361 -0.607 . . . . 45.23 109.361 175.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.513 HD21 ' HA ' ' A' ' 17' ' ' GLN . 3.4 t-20 -90.19 159.46 16.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.941 -0.572 . . . . 71.3 111.239 -171.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.81 -19.93 24.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 71.21 110.904 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -64.32 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.838 -0.801 . . . . 72.05 108.838 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.95 46.74 10.2 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.698 -0.763 . . . . 61.2 113.234 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 16.9 t60 -131.67 84.43 54.95 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.594 -0.891 . . . . 55.02 108.594 175.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -31.87 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 124.824 3.683 . . . . 73.43 115.314 -168.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 44' ' ' HIS . 18.3 mmm180 -116.41 111.26 19.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.177 -0.919 . . . . 75.21 108.983 170.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.8 tt -69.7 100.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.535 0.684 . . . . 62.12 110.143 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.594 ' HA3' HG12 ' A' ' 86' ' ' VAL . . . -77.05 63.69 3.19 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.675 -0.693 . . . . 45.34 112.893 -176.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.73 113.06 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.943 0.401 . . . . 74.2 110.29 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -107.43 94.12 4.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.196 0.522 . . . . 72.53 109.975 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.0 91.0 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.661 0.743 . . . . 62.45 110.319 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.31 139.51 58.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.261 -0.881 . . . . 72.53 111.019 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -80.32 -6.52 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.05 -0.523 . . . . 75.43 111.111 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -86.08 -26.01 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.444 -0.576 . . . . 74.44 109.444 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.574 ' HA ' ' HB3' ' A' ' 91' ' ' LYS . 90.9 m-20 -84.66 -32.33 23.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.618 -0.719 . . . . 64.3 109.881 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG11 ' HG2' ' A' ' 62' ' ' ARG . 38.5 t -120.19 99.9 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 71.44 109.728 174.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -76.74 -8.3 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 75.41 110.499 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.663 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 16.4 mmm180 -82.23 -177.07 6.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 63.22 111.016 -177.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.11 -76.54 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 61.42 111.186 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -64.36 -24.59 67.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.189 0.519 . . . . 55.34 110.642 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.663 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 11.5 mp0 -66.43 -19.66 65.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 53.15 110.972 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.436 ' HG2' HG11 ' A' ' 56' ' ' VAL . 54.8 mtp180 -73.81 -33.18 64.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.15 0.5 . . . . 74.11 109.715 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 13.6 m120 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 65.34 109.916 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -58.11 -45.18 87.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 74.24 110.42 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.39 -39.92 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 61.35 110.322 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 71.32 111.411 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 79.3 mtp180 -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.319 . . . . 75.23 110.846 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 HD23 ' A' ' 105' ' ' LEU . 2.5 tm? -67.7 -48.04 67.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 62.41 110.648 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 p -73.69 -36.47 65.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 71.33 112.329 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.58 -3.45 18.23 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.736 0.303 . . . . 72.41 111.285 -176.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.36 -64.13 1.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.945 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 p -60.58 -40.66 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.812 0.671 . . . . 61.15 112.812 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -72.44 -33.84 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 62.04 111.436 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.826 ' HD3' HD22 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -82.32 -26.62 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.973 -0.558 . . . . 74.41 111.911 -173.545 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.826 HD22 ' HD3' ' A' ' 74' ' ' ARG . 3.2 mm? -79.99 3.75 19.12 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.524 0.564 . . . . 53.22 112.524 -176.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 80.4 mmt-85 -131.17 24.75 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.138 -0.351 . . . . 71.14 110.682 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -70.96 -2.81 16.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 74.12 111.937 -172.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.02 -28.27 22.72 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.286 -0.259 . . . . 64.45 111.496 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.89 0.376 . . . . 72.41 110.688 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.65 124.82 88.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.664 . . . . 71.55 109.206 174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD3' ' HB1' ' A' ' 116' ' ' ALA . 51.3 Cg_exo -54.67 147.94 47.14 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.239 2.626 . . . . 72.31 113.131 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.03 72.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 44.54 110.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -134.86 141.22 46.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.485 -0.779 . . . . 62.45 109.541 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.02 129.93 34.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 63.21 110.605 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -139.36 153.81 47.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.651 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.594 HG12 ' HA3' ' A' ' 48' ' ' GLY . 31.4 m -115.58 144.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 63.34 110.894 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.95 110.89 30.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.442 -0.577 . . . . 75.43 109.442 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.07 115.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 75.44 111.086 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.56 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 41.3 110.03 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 31' ' ' PRO . 34.4 mmtp -92.85 175.99 6.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.502 . . . . 64.04 111.13 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 55' ' ' ASN . 20.4 pttt -73.0 105.38 4.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 65.32 111.124 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.08 -30.39 0.89 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.396 -0.82 . . . . 74.52 111.808 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.45 -25.85 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 111.845 0.313 . . . . 75.24 111.845 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HB2' HG13 ' A' ' 56' ' ' VAL . . . -75.96 -18.21 59.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.96 0.409 . . . . 64.24 111.77 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -112.93 22.07 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.761 0.791 . . . . 72.13 110.145 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.58 -0.736 . . . . 63.33 110.682 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 10.1 t70 -93.69 149.55 21.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 61.43 110.684 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -62.85 -37.29 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.141 0.422 . . . . 72.53 112.141 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -78.31 -30.72 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.4 -0.592 . . . . 71.12 109.4 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.23 71.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.632 -0.713 . . . . 52.42 110.461 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 98.5 mt -65.59 -32.57 74.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 55.21 110.279 176.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 t -71.77 -35.92 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 72.23 109.893 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.67 -37.44 79.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.889 -0.596 . . . . 72.4 110.424 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -81.83 -22.12 37.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 53.44 111.191 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HD11 ' A' ' 68' ' ' LEU . 3.1 tm? -56.29 -44.76 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 73.35 110.861 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.56 -21.23 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.524 -0.307 . . . . 62.23 111.563 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 28.9 mmmt -72.54 -59.98 2.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.677 0.275 . . . . 74.15 110.84 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.573 HD12 HD11 ' A' ' 35' ' ' ILE . 2.6 pt? -72.73 -28.41 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 74.04 110.669 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -69.17 -50.06 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.446 -0.343 . . . . 70.21 110.522 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.73 -32.12 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 73.23 110.738 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 21.8 tpp180 -61.76 -35.44 78.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 63.33 109.854 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -81.96 -17.49 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 74.4 110.625 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.99 -39.61 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.559 -0.534 . . . . 71.24 109.559 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -61.56 -55.71 27.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.538 -0.756 . . . . 72.41 109.888 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.83 63.05 4.26 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.844 0.831 . . . . 73.34 109.773 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.445 ' HB1' ' HD3' ' A' ' 81' ' ' PRO . . . -165.01 -35.72 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.466 -1.243 . . . . 40.21 109.239 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.49 ' NE ' ' HA ' ' A' ' 117' ' ' ARG . 4.7 mmp_? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.604 -0.726 . . . . 74.53 110.402 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.733 0.302 . . . . 61.2 111.229 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 93.9 t80 -64.4 -42.98 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.687 177.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 p -86.71 -16.81 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.405 -0.362 . . . . 51.34 111.111 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -50.51 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 72.43 110.067 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.42 -9.15 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.876 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' HA ' ' HG3' ' A' ' 25' ' ' PRO . 17.6 t80 -84.86 -0.7 54.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.521 . . . . 73.0 110.42 -177.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -62.81 -38.88 92.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.223 0.535 . . . . 61.12 109.831 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -155.47 77.44 4.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.643 -0.873 . . . . 64.51 108.643 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.595 ' HG3' ' HA ' ' A' ' 22' ' ' PHE . 11.5 Cg_exo -68.73 118.4 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.833 2.355 . . . . 63.24 113.51 -169.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -85.63 121.71 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 71.43 109.48 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HG2' HG23 ' A' ' 34' ' ' THR . 6.0 tmm_? -94.99 100.63 12.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.492 . . . . 73.14 110.428 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 35' ' ' ILE . . . -119.45 99.23 6.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 72.05 109.799 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.7 -146.3 10.75 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.846 -0.692 . . . . 62.42 111.796 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.552 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 48.5 p -127.36 169.32 12.52 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 110.513 -0.18 . . . . 75.13 110.513 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 48.4 Cg_endo -71.44 0.68 6.48 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.095 1.864 . . . . 63.51 111.466 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -97.02 -41.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.552 -0.749 . . . . 74.34 109.558 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -144.22 119.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 74.44 109.645 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 27' ' ' ARG . 32.7 m -110.66 114.26 27.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.098 -0.501 . . . . 75.23 111.449 -172.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.428 HG13 HG13 ' A' ' 87' ' ' VAL . 4.0 mp -93.91 115.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 53.13 109.814 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 86' ' ' VAL . 98.0 mt -104.04 112.53 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.283 -0.417 . . . . 72.21 109.971 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.04 116.26 1.36 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.449 -0.882 . . . . 73.45 112.845 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -145.19 82.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.545 -0.539 . . . . 72.22 109.545 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 40' ' ' ASN . 9.5 tp -150.09 -165.54 2.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 74.23 109.272 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.591 ' H ' ' HG ' ' A' ' 39' ' ' LEU . 37.5 t-20 -108.35 136.23 48.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.744 -0.465 . . . . 63.32 109.744 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -76.81 78.98 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.274 0.559 . . . . 73.42 110.494 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.36 -19.13 43.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.696 . . . . 61.43 111.371 -176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.562 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 113.34 -5.03 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.647 -0.787 . . . . 61.41 111.181 -175.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -96.4 98.47 4.26 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.405 -0.591 . . . . 73.4 109.405 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 30.5 Cg_endo -93.14 103.26 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.921 2.414 . . . . 65.1 112.529 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -113.67 108.95 17.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.298 -0.41 . . . . 71.4 110.097 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.55 HD11 ' HB ' ' A' ' 69' ' ' THR . 3.4 tt -87.42 99.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.77 0.795 . . . . 61.31 110.473 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 71.56 2.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.774 -0.727 . . . . 25.2 112.616 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 69' ' ' THR . 58.7 tp -67.38 118.39 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.839 0.352 . . . . 63.1 110.661 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -114.43 110.09 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.997 0.427 . . . . 63.11 110.768 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.84 143.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 70.04 109.866 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.42 -178.29 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.745 -0.207 . . . . 74.45 110.69 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HG2' HH21 ' A' ' 62' ' ' ARG . 46.7 mtpt -90.1 -15.47 31.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 74.11 110.576 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -74.42 -23.69 58.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.467 -0.333 . . . . 72.42 111.156 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.2 p-10 -105.07 -48.85 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 74.14 110.297 176.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.91 87.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.279 0.562 . . . . 74.2 109.875 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -93.56 10.76 31.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.509 . . . . 62.04 110.93 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -101.57 104.21 15.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 73.31 109.584 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.59 72.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.947 -0.569 . . . . 51.52 111.657 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -68.2 -25.35 65.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.056 0.455 . . . . 71.13 110.75 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -93.72 9.74 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.223 -0.444 . . . . 61.4 111.172 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.631 HH21 ' HG2' ' A' ' 53' ' ' LYS . 14.7 mmt180 -63.76 -39.58 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.992 0.425 . . . . 71.4 110.656 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.49 -27.08 66.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.545 -0.752 . . . . 63.3 110.336 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -60.64 -52.01 66.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.775 -0.648 . . . . 73.54 110.988 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.3 mm -62.38 -39.62 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.516 -0.765 . . . . 51.51 110.865 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -57.52 -57.08 14.26 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.102 -0.239 . . . . 72.23 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 70' ' ' ARG . 49.3 mtp180 -67.69 -29.55 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 70.31 111.589 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -41.51 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.094 -0.706 . . . . 74.42 109.094 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.55 ' HB ' HD11 ' A' ' 47' ' ' ILE . 31.6 p -91.12 0.19 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 71.43 111.638 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.3 tpp180 -90.74 -67.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 72.2 110.203 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -15.66 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.77 -0.65 . . . . 72.23 112.154 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 p -84.59 -63.71 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.855 0.36 . . . . 71.04 110.949 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.622 ' HD2' HD22 ' A' ' 80' ' ' LEU . 77.5 m-85 -65.74 -34.01 77.21 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.301 0.852 . . . . 53.23 113.301 -172.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 4.7 ppt_? -92.44 -5.42 51.98 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.333 -0.547 . . . . 72.31 112.172 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 75' ' ' LEU . 52.0 mt -107.42 -45.49 4.07 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.844 -0.343 . . . . 73.43 110.77 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.715 ' HG3' ' HB2' ' A' ' 79' ' ' GLU . 3.3 tpm_? -95.32 54.22 1.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.666 0.745 . . . . 75.21 109.26 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -19.46 65.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.315 -0.857 . . . . 64.41 111.944 -174.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -81.77 3.34 26.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.664 0.269 . . . . 65.21 111.156 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.715 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -108.84 3.34 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.246 0.546 . . . . 63.32 109.57 174.067 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.622 HD22 ' HD2' ' A' ' 73' ' ' PHE . 54.9 tp -127.51 118.36 21.46 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.617 -0.72 . . . . 74.34 111.45 -174.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HD2' ' HE1' ' A' ' 112' ' ' HIS . 19.1 Cg_endo -62.68 110.57 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.249 1.966 . . . . 53.22 110.297 170.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 95.14 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.11 0.481 . . . . 44.31 111.765 -176.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.429 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 25.3 ptt? -150.84 176.69 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.218 -0.901 . . . . 75.41 109.486 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.14 117.46 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 71.43 109.004 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.5 160.99 38.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.666 0.269 . . . . 72.21 110.662 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -111.97 134.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.236 0.541 . . . . 73.52 111.122 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.428 HG13 HG13 ' A' ' 35' ' ' ILE . 46.8 t -109.59 107.33 22.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 53.12 109.624 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.8 110.63 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.918 0.39 . . . . 70.42 110.509 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 126.88 33.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.143 -0.481 . . . . 53.1 109.951 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.91 -170.48 2.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.208 -0.664 . . . . 72.31 109.208 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 27.0 ttpp -92.9 104.36 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.426 -0.583 . . . . 74.42 109.426 176.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.65 -37.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.46 -0.656 . . . . 73.52 111.46 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.8 8.11 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.628 0.728 . . . . 63.5 110.164 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.34 24.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 65.41 110.969 -177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.92 101.96 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.49 . . . . 65.12 110.543 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.4 mt -144.91 169.68 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.872 -0.603 . . . . 73.31 109.849 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.82 161.63 28.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.376 -0.375 . . . . 73.44 110.144 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -60.68 -41.78 95.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 71.5 111.124 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 13.0 ttm180 -79.18 -32.19 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.912 -0.315 . . . . 53.34 110.685 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.0 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.4 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.57 -17.15 61.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.389 . . . . 71.12 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 t -78.95 -45.05 21.22 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.209 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 10.8 pt-20 -73.68 -26.51 60.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.596 0.236 . . . . 73.23 110.702 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.45 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -57.56 -31.84 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 54.14 110.654 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.47 -37.79 77.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 72.21 111.09 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -73.08 -23.47 60.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.621 -0.432 . . . . 74.42 110.073 -178.541 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 22.4 mmmt -64.82 -44.41 89.94 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.215 -0.661 . . . . 64.4 109.215 175.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.56 -49.33 63.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.327 -0.851 . . . . 65.3 110.36 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.447 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 32.6 t90 -59.25 -56.16 25.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 73.31 111.96 -176.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -61.29 -32.58 72.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.641 -0.254 . . . . 72.01 111.555 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 25.4 tpt180 -83.03 -39.97 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.801 -0.36 . . . . 71.43 110.548 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.511 ' HE1' ' HD2' ' A' ' 81' ' ' PRO . 21.2 t-80 -66.64 -35.93 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.184 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.18 -51.7 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 64.35 110.741 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -60.76 -52.27 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.566 . . . . 60.34 111.131 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.06 -33.63 74.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 74.22 111.969 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.8 64.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 72.33 111.475 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.517 -0.31 . . . . 75.21 110.659 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 111.958 0.355 . . . . 75.32 111.958 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -79.65 3.93 17.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.354 0.501 . . . . 74.34 112.354 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.4 m -143.57 -30.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.372 -0.531 . . . . 61.04 112.378 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.12 -46.66 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 75.14 111.049 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 21' ' ' VAL . 10.3 p -96.49 7.06 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.481 0.657 . . . . 54.41 110.602 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -85.5 16.11 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.094 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -70.32 -71.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.178 -0.675 . . . . 74.55 109.178 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -146.28 74.78 12.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.073 -0.967 . . . . 75.12 108.794 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 58.0 Cg_endo -70.83 139.61 36.88 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.36 2.04 . . . . 64.3 112.042 -175.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.43 107.27 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.825 -0.435 . . . . 63.05 109.825 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -71.13 99.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.192 -0.67 . . . . 75.4 109.192 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.06 -176.24 2.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.276 -0.42 . . . . 43.13 110.529 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.775 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 89.64 -130.36 10.17 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.848 -0.691 . . . . 63.45 112.044 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 40.3 p -133.42 170.49 11.22 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 110.303 -0.258 . . . . 64.44 110.303 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 30.5 Cg_exo -62.86 -26.51 74.62 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.476 2.117 . . . . 73.41 112.395 174.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.0 -55.56 4.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.447 . . . . 74.04 110.616 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.0 tt -121.15 115.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.558 0.694 . . . . 73.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -105.32 128.53 53.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.599 -0.728 . . . . 75.31 111.872 -172.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.3 mp -103.83 126.95 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.356 -0.609 . . . . 75.55 109.356 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.681 ' HB2' HG13 ' A' ' 86' ' ' VAL . 91.2 mt -107.47 124.05 49.31 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.919 -0.4 . . . . 75.11 109.919 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.5 6.45 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.989 -1.1 . . . . 71.34 113.773 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.547 ' H ' HD12 ' A' ' 39' ' ' LEU . 21.1 ttm-85 -179.64 73.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.719 0.807 . . . . 64.33 109.323 170.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 5.5 mp -138.45 159.74 41.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.117 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -160.43 165.54 30.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.514 -0.55 . . . . 74.3 109.514 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 65.41 15.75 10.18 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.607 0.567 . . . . 63.42 111.399 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -89.54 -66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.009 -0.367 . . . . 72.31 110.009 -177.321 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 82' ' ' ALA . . . 91.86 -12.82 68.46 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.703 -0.76 . . . . 74.41 113.266 177.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.409 ' H ' HD12 ' A' ' 42' ' ' LEU . 40.3 m80 -127.93 98.36 27.64 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.962 0.381 . . . . 64.14 110.932 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 84' ' ' ASP . 5.9 Cg_exo -79.18 137.99 13.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.109 2.54 . . . . 73.12 112.158 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -118.55 -171.97 2.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.715 -0.476 . . . . 74.34 109.715 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.5 tt -124.58 86.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.927 0.87 . . . . 75.44 110.039 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 62.62 4.3 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.659 -0.781 . . . . 74.35 112.565 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.794 HD23 ' HD2' ' A' ' 66' ' ' LYS . 49.8 tp -71.76 109.79 5.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.236 0.541 . . . . 64.04 110.395 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -100.21 103.32 14.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.556 -0.747 . . . . 74.02 110.385 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.89 115.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.841 -0.618 . . . . 52.3 110.28 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.4 178.24 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 45.4 111.278 -176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.53 1.7 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.838 -0.619 . . . . 64.5 111.425 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.92 1.96 15.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.286 0.565 . . . . 73.3 110.174 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -109.93 -28.05 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.768 -0.827 . . . . 65.14 108.768 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 94' ' ' ALA . 8.0 p -128.38 153.48 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.507 -1.224 . . . . 63.13 108.78 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -99.17 -49.12 4.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.666 -0.414 . . . . 73.02 111.437 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.681 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 76.4 mtt180 -99.48 148.54 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.879 0.371 . . . . 74.31 111.031 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.83 85.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 72.03 110.398 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -61.11 -41.17 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 73.32 111.226 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.681 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 61.7 mt-10 -65.72 -36.82 84.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 75.25 110.209 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HB2' HG11 ' A' ' 56' ' ' VAL . 35.6 ttt180 -64.34 -50.27 68.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 72.03 110.592 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.6 -28.32 68.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.934 -0.576 . . . . 74.45 110.556 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 26.8 tpt180 -58.07 -46.69 85.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.621 -0.718 . . . . 65.53 110.268 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.0 mm -73.56 -34.16 41.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.978 -0.555 . . . . 73.44 110.553 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.794 ' HD2' HD23 ' A' ' 49' ' ' LEU . 23.5 mmmt -56.23 -51.58 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.662 -0.699 . . . . 75.13 112.076 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -80.33 -27.75 38.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.008 -0.277 . . . . 73.01 111.326 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.78 -52.38 64.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 61.13 110.005 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -67.28 -44.45 79.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 73.25 111.438 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 47' ' ' ILE . 21.9 ttt180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.6 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.3 -45.06 81.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 72.14 111.182 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.2 p -63.71 -33.24 75.2 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.313 -0.403 . . . . 71.03 111.836 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.9 -26.62 68.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 72.53 111.59 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -87.5 -9.43 54.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 74.43 111.088 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -107.99 -47.86 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 70.45 111.476 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 56.0 mtt85 -105.94 50.37 0.78 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.231 0.539 . . . . 72.05 110.813 -172.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -14.49 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.824 . . . . 75.32 111.945 -175.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -79.03 -18.67 53.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.96 -0.296 . . . . 73.1 111.324 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' HG3' ' CH2' ' A' ' 109' ' ' TRP . 19.5 mm-40 -97.0 24.4 6.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.404 . . . . 74.31 111.434 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' ' NE2' ' A' ' 112' ' ' HIS . 4.1 pp -137.97 149.92 65.69 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.466 -0.334 . . . . 71.25 110.851 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.545 ' HG2' ' HG2' ' A' ' 83' ' ' MET . 74.4 Cg_endo -76.97 164.94 29.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.655 2.237 . . . . 74.21 111.567 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 43' ' ' GLY . . . -77.51 61.78 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.373 0.606 . . . . 75.24 111.514 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.58 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 24.6 ptt? -132.72 167.33 20.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.744 -0.662 . . . . 63.4 109.369 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.529 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 45.5 t0 -85.83 157.72 20.14 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 123.144 0.278 . . . . 73.54 110.394 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -132.75 118.93 19.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.076 0.465 . . . . 74.42 111.614 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -103.25 124.43 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 64.13 109.581 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -117.73 113.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.124 -0.489 . . . . 71.45 110.32 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 123.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.857 0.361 . . . . 72.3 110.643 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.13 137.56 32.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.102 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.606 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.0 mmpt? -91.68 171.38 9.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.779 0.323 . . . . 65.01 110.797 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -67.4 118.77 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.99 -0.55 . . . . 75.54 110.15 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.82 -0.36 21.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.434 -0.889 . . . . 51.33 112.474 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.11 -18.88 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.303 0.573 . . . . 64.14 110.921 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.695 ' HB2' HG23 ' A' ' 56' ' ' VAL . . . -72.64 -22.56 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 53.42 111.574 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.74 72.97 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.196 0.522 . . . . 55.24 110.617 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -139.99 122.27 15.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 73.04 110.566 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 28.5 t70 -74.32 152.19 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.901 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -54.12 -36.46 63.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.092 -0.504 . . . . 73.31 111.811 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.3 -44.31 53.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 72.13 110.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.7 -16.45 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 62.14 111.778 -176.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 70.6 mt -55.97 -47.95 76.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.669 0.271 . . . . 75.34 111.026 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.9 t -72.36 -27.28 62.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.409 . . . . 63.13 110.567 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -70.82 -46.3 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 75.12 110.012 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.31 62.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 61.43 111.155 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 105' ' ' LEU . 2.5 tm? -63.19 -37.35 86.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 73.52 110.898 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.506 ' OE2' ' HD2' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -67.75 -20.37 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.876 -0.329 . . . . 71.24 110.684 -176.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.506 ' HD2' ' OE2' ' A' ' 106' ' ' GLU . 22.5 mmmt -65.96 -39.66 90.6 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.231 -0.655 . . . . 60.45 109.231 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.57 -40.6 80.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.444 -0.798 . . . . 74.34 110.126 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.499 ' CH2' ' HG3' ' A' ' 79' ' ' GLU . 47.2 t-105 -57.41 -52.1 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.11 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -62.74 -39.64 94.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 73.34 111.38 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.775 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 24.7 tpp180 -66.55 -46.08 77.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.094 0.473 . . . . 73.5 110.184 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' HIS . . . . . 0.541 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t-80 -63.84 -42.13 97.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.21 -0.904 . . . . 71.13 111.524 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.13 -33.9 77.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 64.35 111.436 -175.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -92.92 -14.35 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.783 0.29 . . . . 54.11 111.783 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.8 -42.9 97.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.982 0.42 . . . . 75.11 110.943 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.42 7.66 9.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 51.34 111.388 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.775 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.507 -0.553 . . . . 75.1 109.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' HD1' HG21 ' A' ' 86' ' ' VAL . 85.5 t80 -60.14 -52.68 64.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 75.02 110.891 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -74.3 -16.48 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.197 0.522 . . . . 63.22 110.844 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -82.72 -42.31 18.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.275 -0.421 . . . . 71.24 110.432 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.37 -18.85 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.987 0.422 . . . . 72.12 110.34 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.28 -12.99 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.607 . . . . 73.43 111.127 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.74 -36.04 82.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.184 0.516 . . . . 73.23 110.109 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -153.88 81.47 4.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.063 -0.717 . . . . 73.12 109.063 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -85.94 122.54 2.25 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.652 2.235 . . . . 73.14 112.581 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -99.44 114.28 27.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.534 -0.543 . . . . 71.23 109.534 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -88.07 109.6 19.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.639 . . . . 71.13 109.865 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.96 13.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 61.43 110.335 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.18 -159.9 27.96 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.681 -0.771 . . . . 63.45 112.275 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.504 HG22 ' HD2' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -74.25 145.32 82.83 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.451 0.3 . . . . 63.02 110.357 -179.143 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' HD2' HG22 ' A' ' 30' ' ' THR . 28.4 Cg_exo -62.89 -45.44 13.16 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.62 2.213 . . . . 74.35 112.692 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.629 HE21 HD11 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -59.46 -47.01 87.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.979 0.419 . . . . 73.23 111.154 -178.378 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 tt -108.73 94.83 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 63.45 109.287 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -85.79 109.49 18.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.717 -0.674 . . . . 73.52 111.825 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.77 106.14 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 74.14 109.827 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.96 111.78 23.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 74.14 109.525 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.66 164.79 20.96 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.274 -0.965 . . . . 62.14 112.553 -177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -151.67 139.6 20.0 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.712 -0.477 . . . . 73.34 109.712 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.3 tp -83.48 88.24 7.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.289 -0.634 . . . . 70.03 109.289 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -102.72 170.12 8.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 64.04 110.237 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -74.37 -13.27 60.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 74.32 110.315 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.79 -59.83 2.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 75.03 110.044 173.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.558 ' HA3' ' HB1' ' A' ' 82' ' ' ALA . . . 58.17 54.1 40.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.133 -0.555 . . . . 64.11 112.059 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 82.4 t60 -95.33 101.97 8.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.239 . . . . 75.0 110.382 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.6 Cg_exo -72.67 89.54 0.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.847 2.365 . . . . 74.44 112.032 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.497 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -153.48 142.45 21.23 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.103 -0.703 . . . . 72.23 109.103 177.326 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.487 HD11 ' HB ' ' A' ' 69' ' ' THR . 13.7 tt -87.25 136.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.067 0.46 . . . . 54.34 110.863 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.84 99.39 0.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.941 -0.647 . . . . 64.32 111.504 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 69' ' ' THR . 59.9 tp -87.53 109.51 19.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.181 0.515 . . . . 73.31 111.245 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -103.24 87.17 2.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.11 -0.7 . . . . 75.33 109.11 174.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 p -94.62 120.17 43.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.591 -0.731 . . . . 53.43 110.924 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.74 116.84 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.943 -0.571 . . . . 43.15 109.701 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -65.66 -12.75 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 63.21 111.829 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -11.38 49.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.771 0.319 . . . . 75.35 110.757 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -93.72 -9.88 36.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 62.32 110.981 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 62' ' ' ARG . 44.2 t -100.69 151.69 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.943 -0.571 . . . . 70.53 110.012 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HG2' ' HG2' ' A' ' 58' ' ' ARG . 62.4 ttt-85 -56.83 -64.57 0.83 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.484 0.49 . . . . 63.21 111.94 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HG2' ' HG2' ' A' ' 57' ' ' ARG . 28.0 mmt180 -137.88 -69.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.076 0.398 . . . . 72.43 112.076 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.01 -50.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.505 -0.316 . . . . 71.13 111.332 -171.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.26 -30.98 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.449 0.642 . . . . 72.12 109.951 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . 20.4 mp0 -76.64 -24.97 53.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.009 -0.996 . . . . 73.31 110.38 -176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.578 ' HB2' HG11 ' A' ' 56' ' ' VAL . 38.3 ttp180 -76.07 -35.82 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.556 . . . . 72.01 110.501 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.35 -30.9 69.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 72.34 110.085 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.8 -37.11 80.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 72.0 110.111 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.36 -40.44 82.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.928 -0.578 . . . . 74.01 110.462 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.42 -27.41 68.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 74.41 110.71 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -74.3 -52.95 10.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 72.21 110.612 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.99 -50.77 65.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.002 -0.544 . . . . 70.14 110.731 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.547 HG21 HD13 ' A' ' 49' ' ' LEU . 13.6 p -62.67 -54.87 32.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 62.02 112.035 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -78.61 9.97 3.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.747 0.647 . . . . 74.23 112.747 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -111.25 -45.53 3.41 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.872 -0.418 . . . . 62.54 109.872 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 p -68.91 -48.25 63.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 74.54 110.9 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.35 15.78 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 72.15 111.129 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -111.25 -32.04 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.085 0.469 . . . . 65.02 109.882 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.06 -30.15 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 62.22 109.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 4.4 mmp_? -110.31 142.46 41.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.875 -0.787 . . . . 64.23 108.875 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 177.98 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 72.42 111.191 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.3 -36.75 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.696 . . . . 72.43 110.642 -173.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -72.07 -23.96 61.43 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.512 -177.451 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.8 pp -91.27 146.98 34.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.739 0.304 . . . . 75.55 110.535 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 3.3 Cg_exo -81.76 -164.63 0.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.088 2.525 . . . . 73.0 111.782 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.558 ' HB1' ' HA3' ' A' ' 43' ' ' GLY . . . -63.92 111.12 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.834 0.349 . . . . 75.53 110.93 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.9 ttm -148.79 111.81 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.269 -0.423 . . . . 64.33 110.502 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HB3' ' H ' ' A' ' 44' ' ' HIS . 4.9 p-10 -95.56 138.2 33.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.623 -0.51 . . . . 72.21 109.623 173.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.8 169.12 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.3 111.064 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.568 HG21 ' HD1' ' A' ' 18' ' ' PHE . 9.1 p -132.26 141.23 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.688 -0.687 . . . . 74.33 109.758 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.59 121.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.274 -0.269 . . . . 72.13 110.274 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.88 131.73 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 71.44 110.412 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.4 125.31 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 71.51 111.213 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.07 179.58 6.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.901 -0.591 . . . . 64.31 110.216 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -84.16 128.33 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.89 0.376 . . . . 71.34 110.659 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.88 -11.72 24.97 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.912 -0.661 . . . . 42.51 112.029 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -22.7 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 53.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -87.95 15.06 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.883 -0.599 . . . . 60.25 111.734 -176.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.35 -8.89 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.459 . . . . 73.14 110.821 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.629 HD11 HE21 ' A' ' 32' ' ' GLN . 90.9 mt -77.42 133.34 38.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.16 -0.473 . . . . 75.0 110.621 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.45 -179.66 6.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.167 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' HG ' ' A' ' 101' ' ' LEU . 3.8 m-20 -61.57 -36.31 80.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.585 -0.279 . . . . 74.3 111.471 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.602 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 4.4 tpm_? -62.44 -50.81 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.699 -0.482 . . . . 73.55 109.699 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.53 -49.65 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 72.43 111.653 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 98' ' ' ASN . 4.6 pp -70.04 -25.17 63.44 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.822 -0.351 . . . . 65.51 111.228 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t -72.71 -36.29 67.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.046 0.451 . . . . 74.23 109.948 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 13.7 mm-40 -74.02 -41.0 62.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 176.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -63.25 -23.99 67.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.712 -0.676 . . . . 42.43 111.199 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.18 -45.18 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 62.41 110.524 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -20.84 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 75.01 110.349 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.776 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.7 mmmt -66.58 -54.28 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.697 -0.483 . . . . 73.1 109.697 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 109' ' ' TRP . 4.0 pp -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 62.53 111.349 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TRP . . . . . 0.409 ' N ' HD12 ' A' ' 108' ' ' LEU . 37.0 t-105 -65.78 -58.68 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 72.14 110.886 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.13 -23.59 65.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 45.21 110.657 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 4.7 tpp180 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.345 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.76 -21.43 28.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.2 t -58.13 -46.79 85.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 75.04 110.414 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -87.68 5.55 39.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.074 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.21 -45.49 4.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.949 0.404 . . . . 72.34 110.158 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.55 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 74.25 110.794 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.177 0.513 . . . . 54.24 109.825 177.299 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.039 -0.356 . . . . 63.32 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.07 -52.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.125 0.488 . . . . 74.45 110.22 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -84.86 124.2 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.781 -0.645 . . . . 75.31 109.934 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.542 ' HG ' ' HG ' ' A' ' 39' ' ' LEU . 4.3 mm? -73.5 -18.86 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.314 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 95.67 7.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.424 -0.353 . . . . 71.44 110.202 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.44 150.81 45.28 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.876 -0.602 . . . . 71.41 110.519 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 8.26 1.03 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.105 2.536 . . . . 71.3 112.938 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -78.0 2.97 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.448 -0.342 . . . . 71.3 111.316 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.735 ' HG3' HD12 ' A' ' 10' ' ' LEU . 8.5 pt-20 -70.79 -16.28 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 71.23 109.943 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD12 ' HG3' ' A' ' 9' ' ' GLU . 7.6 mp -86.33 2.22 48.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 72.44 110.132 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.59 147.32 38.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 71.04 109.729 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.23 103.06 0.92 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 61.23 110.884 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.766 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.5 pt? -87.9 157.73 18.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 74.42 110.071 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 5.9 p -90.54 144.26 30.4 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.561 -0.29 . . . . 73.44 111.065 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 4.1 Cg_exo -78.12 6.75 4.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.175 2.583 . . . . 61.2 112.319 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -78.99 96.21 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.177 -0.465 . . . . 71.24 109.89 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' ' 21' ' ' VAL . 4.9 pp0? -62.59 -35.12 78.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.104 -177.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.26 -40.33 97.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.162 0.506 . . . . 73.14 110.278 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 23.9 m -72.55 -44.68 61.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.942 -0.572 . . . . 62.42 110.06 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -58.58 -44.28 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.407 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.89 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 9.4 p -69.73 -37.75 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.573 0.225 . . . . 72.13 110.917 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -72.92 -21.19 60.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.551 -0.295 . . . . 71.51 111.351 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.6 mm100 -70.32 -48.36 56.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.603 0.24 . . . . 73.23 110.74 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.54 79.66 24.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-O 121.191 0.519 . . . . 63.1 110.977 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.545 ' HB2' HD12 ' A' ' 36' ' ' LEU . 95.6 Cg_endo -98.84 128.2 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 123.141 2.561 . . . . 75.13 112.61 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.32 106.86 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.497 -0.557 . . . . 73.33 109.497 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -77.51 115.15 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 75.1 110.674 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' HB3' ' ND1' ' A' ' 112' ' ' HIS . . . -148.04 101.11 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.776 -0.647 . . . . 65.35 110.147 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.62 177.79 40.9 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.894 -0.594 . . . . 65.22 111.824 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.428 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -65.63 140.58 97.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 122.334 0.254 . . . . 74.42 110.342 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 10.7 Cg_endo -53.87 -22.99 25.69 Favored 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 123.343 2.695 . . . . 65.42 113.799 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -97.19 -4.27 39.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 73.33 111.649 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 tt -152.39 100.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.601 0.715 . . . . 74.42 109.425 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.5 m -90.66 107.05 18.92 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.748 -0.66 . . . . 74.33 111.943 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.2 mp -87.38 105.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.346 -0.612 . . . . 64.11 109.346 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -85.32 158.65 20.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 63.23 110.414 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.5 117.01 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.727 -0.749 . . . . 44.34 111.979 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.89 ' HD2' ' HA ' ' A' ' 21' ' ' VAL . 3.8 tpm_? -100.15 112.63 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.229 -0.285 . . . . 74.55 110.229 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HG ' ' HG ' ' A' ' 4' ' ' LEU . 3.2 mm? -69.37 94.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 74.04 109.833 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -152.14 104.38 2.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.559 -0.746 . . . . 73.11 110.121 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 t -82.12 83.81 7.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.493 0.663 . . . . 63.13 109.608 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -94.13 -36.27 12.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.443 -0.798 . . . . 74.13 109.343 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.18 54.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.832 -0.699 . . . . 75.21 111.441 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -119.35 95.55 49.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.66 -0.496 . . . . 71.12 109.66 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 1.1 Cg_endo -82.17 117.44 2.84 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.984 2.456 . . . . 52.11 111.563 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HE ' ' HB2' ' A' ' 46' ' ' ARG . 4.6 ptm180 -127.32 152.25 47.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.451 -0.34 . . . . 74.12 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -110.04 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.631 . . . . 71.41 109.688 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.08 70.46 0.21 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.399 -0.905 . . . . 61.52 112.414 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' A' ' 66' ' ' LYS . 60.6 tp -69.53 114.17 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.492 . . . . 54.12 110.759 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 m -108.78 129.87 55.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.508 -0.769 . . . . 73.34 109.774 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.4 138.9 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 32.51 110.57 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.89 157.77 15.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.53 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.51 -16.26 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.294 0.569 . . . . 74.14 110.742 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 19.7 ptmt -83.89 -21.76 31.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 63.12 110.469 176.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.509 ' OD1' ' HG3' ' A' ' 54' ' ' LYS . 4.1 m-20 -84.11 -51.33 7.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.542 . . . . 64.55 110.039 -177.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -111.97 99.53 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.858 -0.794 . . . . 65.33 108.858 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 26.3 tpt180 -82.36 -20.63 36.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.94 -0.573 . . . . 71.32 111.583 -172.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 58' ' ' ARG . 13.8 tpt180 -86.99 112.25 21.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.743 -0.466 . . . . 73.31 109.743 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.59 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.691 -0.686 . . . . 50.23 112.792 -173.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.22 -33.47 73.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.852 0.358 . . . . 72.31 111.27 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.529 ' O ' HG12 ' A' ' 65' ' ' ILE . 24.4 mm-40 -76.91 -11.82 59.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.499 -0.318 . . . . 71.34 110.858 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -61.73 -43.8 98.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.067 -0.716 . . . . 71.25 109.067 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.56 -31.88 71.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.119 -0.946 . . . . 65.12 109.634 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 14.9 tpp180 -62.12 -44.55 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.472 -0.785 . . . . 73.14 110.373 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 61' ' ' GLU . 50.1 mm -65.05 -45.33 94.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.809 -0.632 . . . . 73.22 111.081 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.637 ' HG2' HD23 ' A' ' 49' ' ' LEU . 36.8 mtmt -69.2 -29.96 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.714 0.292 . . . . 61.44 110.756 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -60.25 -59.53 5.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.02 0.438 . . . . 52.33 110.17 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -49.72 67.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.084 -0.962 . . . . 72.25 110.92 -174.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.422 ' OG1' HD22 ' A' ' 49' ' ' LEU . 17.0 p -68.14 -57.68 5.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.472 . . . . 74.04 111.96 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.94 -37.7 88.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.555 -0.293 . . . . 64.35 111.689 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 1.2 tt0 -70.61 -26.13 63.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 73.03 110.66 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.1 m -75.57 -42.69 51.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.817 0.341 . . . . 54.21 110.372 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.75 -17.63 64.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 72.42 111.77 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 7.2 ptm180 -89.76 -13.48 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 61.34 110.828 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -110.17 -23.12 11.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.94 0.4 . . . . 72.13 111.189 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.03 40.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.272 0.558 . . . . 73.14 109.978 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -69.19 -17.04 63.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.278 -0.874 . . . . 72.2 111.462 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -77.19 -38.45 51.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.285 0.564 . . . . 70.43 110.584 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -82.28 -36.8 26.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 72.12 111.704 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.0 pp -84.27 140.66 39.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.372 . . . . 60.43 111.559 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 1.7 Cg_endo -85.76 174.51 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.5 2.8 . . . . 74.23 112.02 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . . . -86.69 71.25 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.229 0.538 . . . . 74.04 111.05 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 66.5 mtt -127.89 -176.27 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.666 -0.697 . . . . 70.42 110.513 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -96.14 120.92 37.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.964 -0.562 . . . . 75.14 109.737 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -122.94 88.94 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.357 0.599 . . . . 73.21 111.233 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.438 ' CG2' HG11 ' A' ' 21' ' ' VAL . 78.2 t -86.71 104.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.759 -0.655 . . . . 74.42 109.555 172.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 61.7 t -91.99 130.81 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.799 -0.637 . . . . 61.22 109.984 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.57 107.15 22.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.054 0.454 . . . . 44.3 110.49 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -72.43 123.86 23.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.605 . . . . 74.3 109.769 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.571 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 10.8 mmpt? -85.64 172.51 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.978 0.418 . . . . 74.32 110.421 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.72 105.89 6.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.829 -0.804 . . . . 75.3 108.829 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.18 -20.61 2.1 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.587 -0.816 . . . . 72.05 112.556 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 89' ' ' ALA . 13.5 p -65.05 -27.63 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.27 0.557 . . . . 74.24 110.915 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.46 14.35 13.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 54.41 111.054 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.09 -9.21 31.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.526 0.679 . . . . 74.55 109.617 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.12 171.95 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.327 -0.851 . . . . 63.22 111.686 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 15.9 t70 -89.71 158.61 17.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 74.33 109.293 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -56.54 -34.65 67.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.249 0.547 . . . . 74.03 110.477 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 18.4 ttp180 -68.43 -45.0 73.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.665 . . . . 71.12 110.154 175.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.1 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.589 -0.732 . . . . 54.31 111.832 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.2 mt -61.41 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.03 0.443 . . . . 50.44 110.145 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.6 m -72.84 -31.06 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 62.14 110.324 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 11.3 mm-40 -66.54 -29.83 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 73.11 111.16 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.4 -13.27 38.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 73.33 111.071 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.13 -51.76 65.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.537 . . . . 75.11 110.932 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.535 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -65.29 -25.29 67.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.497 -0.32 . . . . 73.53 110.706 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.535 ' HD2' ' OE1' ' A' ' 106' ' ' GLU . 28.6 mmmt -66.17 -52.54 47.27 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.319 -0.4 . . . . 74.43 110.189 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' HB2' HD13 ' A' ' 35' ' ' ILE . 4.3 pp -73.76 -31.61 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 64.32 110.898 -178.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -60.82 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.474 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.38 -37.39 85.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 54.32 110.815 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -55.1 -53.67 52.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 74.54 111.202 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.445 ' ND1' ' HB3' ' A' ' 28' ' ' ALA . 2.2 t60 -80.45 -27.25 37.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.629 -0.428 . . . . 72.33 110.668 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 49.6 t -63.27 -42.34 99.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 64.32 110.349 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.04 -34.74 75.34 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.413 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.8 tp -81.27 -31.37 33.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.887 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.42 -23.98 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.994 0.426 . . . . 73.45 111.034 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 25.4 mmm180 -82.64 -23.35 34.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 44.3 110.134 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -92.82 -121.76 3.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.772 -0.649 . . . . 71.25 111.505 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.632 -0.699 . . . . 62.44 109.818 178.938 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.92 0.39 . . . . 53.44 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 10' ' ' LEU . 24.9 t -81.19 86.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 74.31 109.806 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -122.49 -4.28 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.8 -0.636 . . . . 73.52 111.478 -177.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -60.75 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.661 -1.237 . . . . 73.34 107.661 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.37 146.63 25.81 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.107 -1.071 . . . . 75.42 108.107 169.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 82.5 m-85 -93.14 158.97 36.42 Favored Pre-proline 0 C--N 1.318 -0.799 0 C-N-CA 120.827 -0.349 . . . . 74.53 110.685 -174.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.29 -32.15 32.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.475 2.784 . . . . 74.3 113.951 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -74.52 -35.47 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 74.52 111.374 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' OE1' ' HB2' ' A' ' 6' ' ' PHE . 24.1 mp0 -74.14 -35.46 64.09 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.118 0.485 . . . . 63.22 110.157 175.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 2' ' ' VAL . 42.8 tp -70.58 -17.97 62.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.633 . . . . 73.13 111.071 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -102.0 8.19 41.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 74.41 110.831 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.0 174.62 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 62.14 111.107 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.737 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.5 pt? -77.83 148.84 34.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 70.41 110.465 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 p 48.2 72.07 1.39 Allowed Pre-proline 0 C--N 1.33 -0.266 0 C-N-CA 123.53 0.732 . . . . 52.11 111.939 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.27 74.79 3.52 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 123.059 2.506 . . . . 71.15 111.929 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.1 t -118.92 147.0 44.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.595 -0.73 . . . . 70.35 109.973 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.409 HE21 ' CG ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -64.64 -28.1 69.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.435 . . . . 64.53 109.827 178.437 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -73.99 -20.19 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.939 -0.573 . . . . 72.11 110.735 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -85.01 -39.59 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.32 0.581 . . . . 72.22 109.661 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.11 -35.63 76.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 71.24 110.899 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.793 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 7.3 p -70.97 -18.54 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.12 111.37 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -75.19 -23.49 57.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.379 -0.373 . . . . 65.22 111.27 -175.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.45 -68.41 0.3 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.014 0.435 . . . . 64.22 110.927 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.622 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 53.3 tt0 -151.34 88.07 4.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.947 -0.569 . . . . 55.31 109.498 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.518 ' HB3' HG22 ' A' ' 21' ' ' VAL . 92.9 Cg_endo -83.54 148.58 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.808 2.339 . . . . 73.44 113.319 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -74.54 110.11 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.855 -0.794 . . . . 64.45 108.855 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 27' ' ' ARG . 21.7 ttm180 -74.2 101.03 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.417 0.448 . . . . 73.4 110.463 -176.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -107.95 147.12 31.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.335 -0.393 . . . . 74.31 110.353 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.455 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 97.14 -131.36 10.58 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.505 -0.855 . . . . 4.42 112.607 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -133.9 168.89 15.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.058 -0.349 . . . . 61.21 110.058 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 43.3 Cg_endo -69.98 0.13 6.26 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 74.01 112.548 174.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.41 -49.59 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.472 0.654 . . . . 42.42 109.461 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -120.54 99.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.644 0.735 . . . . 73.22 109.088 172.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 m -101.8 112.66 25.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.354 -0.839 . . . . 74.12 111.459 -172.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.597 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 4.6 mp -92.58 115.09 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.207 -0.664 . . . . 63.45 109.207 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.692 ' HB2' HG13 ' A' ' 86' ' ' VAL . 83.8 mt -96.32 119.63 35.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.372 . . . . 73.44 110.228 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.81 136.71 13.19 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.272 -0.965 . . . . 73.34 112.969 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.793 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mmm180 -143.97 112.74 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.238 -0.282 . . . . 74.33 110.238 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.29 125.92 27.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.093 -0.503 . . . . 64.54 110.409 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -126.17 146.74 49.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.63 32.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 73.43 112.627 -173.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -107.01 -20.22 13.38 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.057 -0.349 . . . . 64.02 110.057 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.4 25.44 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 111.31 -0.716 . . . . 72.41 111.31 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -106.66 104.05 49.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.623 0.249 . . . . 71.43 110.509 -171.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -88.72 95.82 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.483 2.122 . . . . 72.53 112.841 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 21.3 mmt180 -141.96 167.61 21.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.966 -0.561 . . . . 74.52 110.456 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 tt -122.02 137.43 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 75.43 109.543 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.6 77.85 0.36 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.549 -0.834 . . . . 64.32 112.201 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -70.89 108.14 4.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.035 0.445 . . . . 54.41 110.36 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -98.97 111.01 23.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.825 -0.625 . . . . 73.21 110.485 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.754 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 30.6 m -128.65 135.62 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.073 -0.512 . . . . 73.42 110.783 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.97 146.14 23.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.693 -0.484 . . . . 64.24 109.693 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.27 5.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.485 0.55 . . . . 64.42 112.485 -174.203 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -101.96 -31.37 10.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.118 -0.233 . . . . 75.05 111.048 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 6.7 p-10 -105.44 -28.05 11.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 63.25 110.867 -178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.754 ' HB ' ' HB ' ' A' ' 51' ' ' VAL . 52.1 t -136.64 98.67 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 172.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -118.78 -33.09 4.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.426 0.528 . . . . 73.44 112.426 -167.237 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.717 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 60.3 mtt180 -85.39 148.41 26.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.759 0.314 . . . . 75.14 110.654 -174.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.4 87.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 60.0 110.387 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.98 -31.87 71.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.736 -0.666 . . . . 75.13 110.636 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.717 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 55.2 mt-10 -73.63 -44.7 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 70.55 110.151 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.01 -12.24 60.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.384 -0.371 . . . . 65.15 111.596 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.0 -48.98 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.414 -0.588 . . . . 71.34 109.414 170.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -54.62 -51.44 65.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.874 -1.057 . . . . 75.24 111.899 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 61' ' ' GLU . 35.8 mm -66.42 -28.25 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 75.22 110.974 -175.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 50.9 mttp -66.35 -46.41 76.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.693 0.283 . . . . 72.05 110.936 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -65.87 -32.1 73.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.848 0.356 . . . . 71.32 110.63 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.55 -45.7 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.957 -0.565 . . . . 44.11 110.045 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -81.63 -51.96 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.287 0.477 . . . . 61.14 112.287 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -66.84 -31.31 71.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.021 0.378 . . . . 62.43 112.021 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -65.57 -35.66 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.525 -0.546 . . . . 74.54 109.525 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -70.38 -33.91 71.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.839 -0.618 . . . . 55.04 110.376 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.597 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 45.1 m-85 -93.32 17.31 11.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 72.31 111.201 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -128.52 -50.21 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 61.54 110.362 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.21 -26.38 42.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.932 -0.576 . . . . 65.21 111.101 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.3 44.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.265 0.555 . . . . 72.3 109.593 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' CD ' ' H ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -76.27 -29.79 57.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.114 -0.948 . . . . 54.03 112.831 -170.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -84.27 22.55 1.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.046 0.45 . . . . 75.5 111.276 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -143.96 30.15 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.552 -0.749 . . . . 64.01 109.926 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.9 pp -145.01 154.65 54.99 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.098 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.7 Cg_endo -86.15 163.55 10.02 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.214 2.61 . . . . 64.45 112.044 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.59 88.39 7.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 64.2 110.977 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -151.74 163.74 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.934 -0.576 . . . . 74.31 110.375 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 6.8 m-20 -73.6 118.59 16.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.303 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -91.75 93.83 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.314 -0.403 . . . . 74.31 110.642 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.9 p -84.56 112.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.581 0.705 . . . . 55.04 109.773 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.7 114.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 72.35 110.233 -176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.3 108.04 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.351 -0.386 . . . . 54.13 110.007 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB1' HG21 ' A' ' 93' ' ' VAL . . . -87.68 113.99 23.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.037 -0.528 . . . . 51.35 110.188 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.2 mmpt? -85.26 173.03 10.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 70.5 110.192 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 20.3 pttp -68.37 113.2 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.372 0.606 . . . . 60.12 110.541 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.521 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 143.11 -31.26 1.97 Allowed Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.549 -0.75 . . . . 72.33 112.415 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.548 HG21 ' HB1' ' A' ' 89' ' ' ALA . 35.5 m -60.97 -30.51 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.71 0.291 . . . . 73.13 111.683 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.93 -4.23 56.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 63.22 110.814 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.63 -29.49 13.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.507 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 97.4 mt -53.95 137.35 39.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.664 -0.698 . . . . 74.21 111.454 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.569 ' OD2' ' HG2' ' A' ' 99' ' ' ARG . 24.5 t70 -76.06 168.95 19.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.717 -0.674 . . . . 74.44 110.327 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -56.06 -40.42 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.328 . . . . 64.25 110.835 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.569 ' HG2' ' OD2' ' A' ' 97' ' ' ASP . 30.0 ptt180 -75.32 -30.23 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.909 0.385 . . . . 65.43 110.702 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.79 74.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.912 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.01 -26.1 61.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.318 . . . . 62.34 110.402 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.0 t -68.67 -37.97 80.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.686 -0.487 . . . . 62.31 109.686 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -80.29 7.46 9.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 74.44 110.942 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.593 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -115.04 -35.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.098 -0.501 . . . . 64.54 110.421 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.1 -45.49 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 64.02 111.477 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -72.18 -16.07 61.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.951 -0.3 . . . . 55.13 111.101 -175.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.7 mmmt -73.97 -35.05 64.46 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.41 -0.589 . . . . 71.23 109.41 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 104' ' ' ALA . 1.8 mm? -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.038 -0.528 . . . . 64.01 110.236 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.594 . . . . 74.35 112.122 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.6 mtt-85 -65.9 -42.27 90.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.654 -0.418 . . . . 72.03 110.254 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 22.1 tpp180 -69.87 -39.17 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.705 -0.48 . . . . 74.24 109.705 175.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 25.9 t60 -54.88 -46.34 74.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.474 -0.785 . . . . 74.41 111.056 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 7.4 t -73.02 -24.83 60.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 63.45 111.299 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -88.55 -38.56 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 52.41 111.702 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 28' ' ' ALA . 47.9 tp -66.14 -43.56 86.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.409 . . . . 74.31 111.741 -174.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.19 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.177 0.436 . . . . 73.45 112.177 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -117.04 12.28 14.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.759 0.314 . . . . 73.22 110.854 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.76 167.45 23.6 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.823 -0.703 . . . . 53.04 112.203 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.4 -0.81 . . . . 73.52 110.502 179.581 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttp . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.039 0.447 . . . . 74.54 109.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t -135.03 105.67 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 75.11 110.522 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.4 -171.49 3.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.776 -0.453 . . . . 75.43 109.776 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD21 ' H ' ' A' ' 41' ' ' SER . 9.5 tp -70.08 -2.66 13.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.554 0.576 . . . . 74.32 112.554 -170.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.32 40.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.726 0.298 . . . . 74.14 110.506 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.53 157.67 61.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 62.24 110.822 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.72 144.27 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.589 2.193 . . . . 61.34 113.018 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -60.23 -24.06 64.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.452 -0.795 . . . . 72.33 110.902 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.87 63.43 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 74.34 109.811 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -179.48 -51.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.636 -1.166 . . . . 71.44 108.398 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.63 151.12 12.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.727 -1.124 . . . . 72.32 108.919 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.72 109.59 3.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.499 -0.556 . . . . 75.02 109.499 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.02 103.23 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.222 0.534 . . . . 60.24 110.391 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 32.1 p -92.48 133.25 30.0 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.463 176.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 8.2 Cg_exo -73.92 10.91 1.25 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.158 2.572 . . . . 64.4 112.96 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m -84.06 97.09 9.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.871 -0.418 . . . . 62.52 109.871 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' NE2' ' HB3' ' A' ' 84' ' ' ASP . 18.4 mt-30 -62.27 -31.19 71.74 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.475 -0.329 . . . . 62.24 111.094 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -52.76 -38.07 60.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.293 0.37 . . . . 71.53 111.518 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -77.06 -30.49 55.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 52.53 111.049 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -82.67 -43.16 17.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.071 0.462 . . . . 75.1 110.914 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG22 ' HB3' ' A' ' 25' ' ' PRO . 9.5 p -70.11 -19.3 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.564 . . . . 73.23 110.219 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.13 -23.79 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 71.44 110.36 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -81.59 -63.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 73.54 110.106 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -140.0 101.87 6.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.604 . . . . 71.44 110.553 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.575 ' HB3' HG22 ' A' ' 21' ' ' VAL . 65.7 Cg_endo -96.64 156.68 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.478 2.785 . . . . 62.33 113.389 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -83.68 98.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.825 -1.176 . . . . 74.11 107.825 167.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -73.54 113.84 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.653 -172.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.31 -176.48 3.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.676 -0.693 . . . . 74.01 110.166 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.11 -145.76 17.8 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.683 -0.77 . . . . 70.35 112.301 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.0 p -138.14 170.59 10.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.129 -0.323 . . . . 70.4 110.129 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 34.6 Cg_exo -62.27 -16.68 52.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.588 2.192 . . . . 33.44 112.606 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 mp0 -85.16 -40.64 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.046 0.45 . . . . 73.41 110.411 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.503 HD13 HD21 ' A' ' 108' ' ' LEU . 11.4 tt -144.76 119.33 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.794 -0.639 . . . . 62.21 110.012 -177.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 m -102.37 132.52 48.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.934 -0.576 . . . . 72.34 111.446 -172.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 87' ' ' VAL . 3.0 mp -110.81 123.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.917 0.389 . . . . 74.23 110.228 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 111.8 24.03 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.313 -0.625 . . . . 64.45 109.313 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.471 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -109.77 138.65 14.96 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.193 -1.003 . . . . 64.35 114.046 -174.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 21.5 mmt180 -147.99 156.94 43.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.427 -0.953 . . . . 75.21 108.427 169.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -122.52 136.24 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.302 0.572 . . . . 61.22 111.823 -171.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -157.68 134.03 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 74.23 108.7 173.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.519 ' H ' HD21 ' A' ' 4' ' ' LEU . 7.8 t -79.95 82.05 6.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.276 0.56 . . . . 71.04 109.933 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.1 tp -99.61 -12.86 19.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 73.31 110.301 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.87 -75.42 2.37 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.722 -0.672 . . . . 74.32 111.816 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 7.4 p-80 -86.88 116.03 64.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 73.21 110.198 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 76.1 Cg_endo -90.51 173.75 3.09 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.107 2.538 . . . . 62.11 113.772 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.524 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 3.0 mmp_? -123.91 174.88 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.473 -0.936 . . . . 64.32 108.473 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 47' ' ' ILE . 11.2 tt -135.45 103.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.741 0.781 . . . . 74.4 110.175 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.72 134.59 13.52 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.484 -0.78 . . . . 73.32 111.769 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 51' ' ' VAL . 41.1 tp -143.54 89.17 2.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.126 0.489 . . . . 44.25 110.037 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -89.45 91.03 8.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 40.53 110.211 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' HG ' ' A' ' 49' ' ' LEU . 83.9 t -96.65 111.86 27.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.528 -0.76 . . . . 53.34 109.959 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HB1' ' HG2' ' A' ' 54' ' ' LYS . . . -78.18 126.12 30.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.258 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -77.91 4.83 11.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.132 0.491 . . . . 74.23 110.894 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG2' ' HB1' ' A' ' 52' ' ' ALA . 21.6 ptmt -93.6 -21.42 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 74.33 110.261 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 33.7 p30 -116.07 -26.35 7.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.377 -0.374 . . . . 61.44 110.775 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 94' ' ' ALA . 45.8 t -122.5 85.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.507 0.67 . . . . 64.2 109.2 171.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -101.42 41.36 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.715 0.769 . . . . 73.41 109.64 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 3.1 mmp_? -108.84 162.69 13.95 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.793 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.45 -58.45 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.022 0.439 . . . . 74.45 111.445 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -92.1 -24.65 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.328 0.585 . . . . 73.44 109.867 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.608 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 22.0 mp0 -69.81 -26.69 64.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.314 -0.857 . . . . 70.33 109.16 175.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.14 -0.936 . . . . 71.04 108.859 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.416 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 86.1 m-20 -71.75 -32.27 67.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.315 -0.857 . . . . 73.44 110.368 177.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -59.14 -50.22 74.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.703 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -63.35 -38.55 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.348 0.594 . . . . 72.41 110.242 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 63' ' ' ASN . 37.0 ttpt -67.69 -39.26 84.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 62.01 111.531 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -80.98 -37.22 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.485 -0.325 . . . . 74.41 111.607 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -46.54 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.984 -0.376 . . . . 53.32 109.984 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 p -65.15 -48.18 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 71.25 111.388 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -64.01 -33.14 75.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 75.42 111.798 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.01 -57.91 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.496 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 17.5 p -64.66 -41.01 96.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 72.25 111.812 -175.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -55.11 -47.22 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.348 -0.387 . . . . 54.25 111.533 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 50.7 ttt180 -89.11 -21.06 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.358 -0.383 . . . . 55.33 111.173 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.08 -26.88 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 51.51 110.402 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 72' ' ' SER . 7.7 mmm180 -109.34 23.95 13.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 71.42 109.936 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 tp60 -68.82 -3.26 11.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.099 -0.5 . . . . 73.23 112.182 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -88.46 -27.54 21.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.919 0.39 . . . . 72.11 110.276 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -112.09 -13.3 13.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.882 -0.599 . . . . 74.03 110.152 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tt -105.23 111.53 65.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.724 -0.671 . . . . 72.23 109.232 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.12 139.35 89.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.882 2.388 . . . . 72.11 112.524 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.6 97.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.641 . . . . 74.33 111.282 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -154.05 162.46 41.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.696 . . . . 73.44 109.642 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.524 ' OD1' ' HB2' ' A' ' 46' ' ' ARG . 11.6 t70 -77.93 143.9 37.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.418 . . . . 74.45 111.955 -172.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.471 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 80.3 m-85 -141.38 139.49 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 75.15 109.602 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.61 111.53 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.023 0.44 . . . . 64.32 110.782 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.49 HG22 HG13 ' A' ' 35' ' ' ILE . 54.6 t -96.96 130.7 45.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.116 -0.493 . . . . 53.41 110.249 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 63.1 t -116.49 129.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.491 -0.322 . . . . 74.25 110.16 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.03 129.95 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.837 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -99.07 172.02 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.977 -0.556 . . . . 73.42 110.089 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 18.5 pttp -82.55 59.12 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.387 0.613 . . . . 74.3 111.331 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -164.41 14.64 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.567 -0.742 . . . . 74.25 112.382 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.54 5.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 121.252 0.549 . . . . 74.02 110.455 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.512 ' HB2' HG22 ' A' ' 56' ' ' VAL . . . -81.56 -30.65 32.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.273 0.559 . . . . 72.14 110.659 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -116.55 106.59 13.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.536 -0.756 . . . . 62.42 109.757 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.2 158.25 42.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.148 0.499 . . . . 72.34 111.932 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.83 162.4 14.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.394 -0.821 . . . . 75.44 109.921 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -62.07 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.738 -0.21 . . . . 70.23 111.478 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.88 -29.35 19.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 71.33 110.418 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.99 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 43.31 111.168 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.63 -24.39 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 74.22 110.861 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -79.69 -36.89 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.709 -0.478 . . . . 75.11 109.709 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.37 -44.61 94.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 74.15 110.287 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -73.53 -23.05 59.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.906 -0.588 . . . . 73.14 110.994 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.71 -43.89 90.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 74.4 110.61 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.502 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -71.29 -25.76 62.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.669 -0.412 . . . . 73.02 110.405 -177.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.502 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.502 . . . . 62.22 109.981 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 11.2 mp -74.53 -8.45 56.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.525 -0.761 . . . . 73.21 111.437 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -108.1 -45.79 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.336 . . . . 64.51 111.124 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 12.3 ttt180 -60.25 -48.02 83.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.459 -0.337 . . . . 63.11 111.086 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.93 -18.54 60.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.385 0.612 . . . . 74.45 110.182 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.1 t-160 -81.09 -47.88 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 74.45 110.621 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.28 -44.56 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 53.24 111.61 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.79 -19.94 64.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.888 0.375 . . . . 72.2 111.316 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -100.36 -46.26 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.781 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.74 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.372 0.508 . . . . 55.32 112.372 -173.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -75.86 -9.55 58.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.614 0.245 . . . . 74.03 111.57 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -102.79 151.09 18.04 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.618 -0.801 . . . . 62.52 112.442 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.429 -0.796 . . . . 74.51 109.686 176.279 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtm . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.989 -0.374 . . . . 55.44 109.989 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.73 102.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.601 -0.518 . . . . 55.12 109.601 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -154.69 134.41 12.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 53.35 109.842 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HG ' HD12 ' A' ' 39' ' ' LEU . 2.4 tm? -91.88 -59.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.847 -0.797 . . . . 74.11 108.847 177.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.97 104.96 15.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 75.34 109.485 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -68.24 146.28 97.91 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 61.12 111.115 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.81 151.69 39.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.961 2.441 . . . . 70.42 112.745 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -1.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 75.25 112.17 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.83 -30.49 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.411 . . . . 60.42 110.714 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -80.14 -0.7 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 64.51 110.999 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 63.14 85.18 0.13 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.566 -0.743 . . . . 72.52 111.345 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.57 98.98 8.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 63.22 109.692 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 136.61 32.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 75.34 110.305 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 m 67.04 82.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 75.44 110.925 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.606 ' HA ' ' HE2' ' A' ' 20' ' ' PHE . 2.6 Cg_exo -77.39 45.9 1.85 Allowed 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.329 2.686 . . . . 74.11 112.408 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -92.71 127.41 38.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.311 -0.404 . . . . 65.1 110.292 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.3 -38.92 69.29 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.791 -0.641 . . . . 74.34 110.851 -174.498 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -56.7 -24.93 52.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.69 -0.686 . . . . 72.13 112.165 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -89.06 -36.63 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 64.24 110.867 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' HE2' ' HA ' ' A' ' 15' ' ' PRO . 82.5 m-85 -80.45 -48.82 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 71.23 112.086 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 17' ' ' GLN . 17.3 m -73.41 -5.64 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 73.12 110.96 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -89.12 -17.89 28.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.146 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.65 -52.36 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.061 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -120.4 80.0 29.2 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.09 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HB2' HD12 ' A' ' 36' ' ' LEU . 90.3 Cg_endo -94.89 140.7 1.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.154 2.57 . . . . 50.3 113.012 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -104.83 139.35 39.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 74.23 109.948 171.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HG2' HG23 ' A' ' 34' ' ' THR . 4.2 tmm_? -87.14 100.15 12.45 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.386 -0.598 . . . . 73.42 109.386 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.25 144.89 30.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.466 . . . . 53.11 111.497 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 108' ' ' LEU . . . 89.21 -104.67 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.852 -0.613 . . . . 73.44 113.309 173.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.494 HG21 ' HB1' ' A' ' 104' ' ' ALA . 17.7 p -128.33 163.3 45.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.336 0.112 . . . . 75.01 111.132 -175.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -87.22 -10.29 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.816 2.344 . . . . 70.14 113.086 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -89.35 -35.38 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.123 0.487 . . . . 73.03 110.207 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tt -129.19 108.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.429 -0.952 . . . . 72.1 108.429 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 27' ' ' ARG . 7.1 m -96.1 123.95 39.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 73.24 112.04 -167.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.588 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 3.6 mp -99.98 119.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.294 -0.632 . . . . 72.2 109.294 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.642 ' HB2' HG13 ' A' ' 86' ' ' VAL . 2.9 mm? -106.65 135.72 47.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.828 0.347 . . . . 62.12 110.267 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . 174.0 -174.73 46.43 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.671 -0.776 . . . . 45.03 112.025 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 tpm_? -170.47 -71.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.765 0.426 . . . . 62.35 109.86 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.404 HD12 ' HG ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -156.44 109.97 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.449 -0.575 . . . . 65.43 109.449 -178.017 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -140.15 113.84 8.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.287 -0.415 . . . . 74.34 110.126 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -80.01 67.2 5.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 72.24 111.196 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.9 tp -78.97 -31.9 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 74.02 109.95 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 -16.13 60.08 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.915 -0.66 . . . . 71.42 112.01 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -126.24 113.81 23.69 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.893 -0.41 . . . . 65.44 109.893 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -61.65 106.56 0.44 Allowed 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.47 2.113 . . . . 73.02 110.712 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -130.84 145.06 51.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.026 0.441 . . . . 75.43 111.148 -173.401 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.49 HD11 ' HB ' ' A' ' 69' ' ' THR . 5.5 tt -98.28 110.65 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.713 -0.676 . . . . 64.14 110.256 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 62.92 3.48 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.841 -0.695 . . . . 73.24 111.93 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD13 HG21 ' A' ' 69' ' ' THR . 63.4 tp -63.04 116.08 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.92 0.391 . . . . 53.03 110.414 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 m -118.27 109.47 16.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 42.22 109.886 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.0 141.59 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 63.21 110.315 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.78 169.07 8.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.208 -0.451 . . . . 64.31 110.668 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -86.78 -2.52 58.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.156 0.503 . . . . 72.54 110.191 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -95.81 -29.89 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.104 -0.498 . . . . 73.22 111.655 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.51 ' ND2' HG23 ' A' ' 56' ' ' VAL . 2.6 p-10 -93.77 -25.0 17.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.805 0.336 . . . . 71.41 111.186 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' ND2' ' A' ' 55' ' ' ASN . 85.5 t -122.17 107.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.357 -0.609 . . . . 72.33 109.357 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -93.42 -29.52 15.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.776 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -97.22 136.27 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.153 0.501 . . . . 74.43 111.272 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.36 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 74.01 112.164 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 84.4 m-70 -70.62 -21.32 62.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.877 0.37 . . . . 53.01 111.222 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' ILE . 52.8 mm-40 -72.75 -33.62 66.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.848 -0.427 . . . . 74.4 109.848 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HB2' HG11 ' A' ' 56' ' ' VAL . 53.1 ttp180 -66.71 -28.74 68.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 74.11 109.739 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 15.9 m120 -61.79 -49.57 75.82 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.83 -0.623 . . . . 65.42 109.402 172.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.74 -40.56 97.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.392 -0.822 . . . . 72.15 111.224 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.5 mm -60.57 -43.3 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 71.33 111.142 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -74.04 -18.73 60.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 61.5 111.416 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 40.5 mtp85 -81.1 -36.28 30.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 71.23 110.692 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -73.0 -44.23 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 52.4 110.221 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.49 ' HB ' HD11 ' A' ' 47' ' ' ILE . 12.4 p -65.32 -49.56 68.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 75.24 111.535 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -81.19 11.48 4.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 71.33 110.842 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -99.38 -52.34 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.144 -0.687 . . . . 73.12 109.144 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -67.65 -46.04 73.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.518 -0.765 . . . . 70.41 111.034 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 81.0 m-85 -79.56 5.21 13.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 72.34 111.687 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -109.78 -51.17 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.389 -0.226 . . . . 75.25 110.389 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.95 -26.68 65.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 64.4 111.032 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.47 ' HG2' ' CD1' ' A' ' 109' ' ' TRP . 9.1 mpt_? -103.16 46.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 65.21 109.643 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -71.36 -18.03 62.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.259 -0.882 . . . . 62.41 111.369 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.24 10.54 41.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.603 -0.271 . . . . 74.41 110.749 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -98.4 12.46 34.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 75.21 110.723 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 2.5 pt? -153.95 150.95 23.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.388 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.8 Cg_exo -76.65 -157.42 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.031 2.487 . . . . 70.45 111.609 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.54 45.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 71.42 111.149 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.8 mmt -115.1 148.59 38.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.906 -0.588 . . . . 54.45 109.845 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -112.54 156.67 22.25 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.625 -0.509 . . . . 75.32 109.625 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 95.2 m-85 -138.37 137.58 37.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 74.1 110.65 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.8 p -88.74 128.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 75.24 109.849 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 35' ' ' ILE . 41.0 t -111.9 112.39 40.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.473 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.66 118.38 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.151 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -91.95 148.79 21.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.982 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 8.9 mmpt? -90.89 173.88 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.23 -0.441 . . . . 61.21 110.614 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 6.2 ttpm? -77.13 120.87 22.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.662 -0.496 . . . . 65.24 109.662 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.502 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 126.51 -23.72 5.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.33 -0.938 . . . . 72.42 112.253 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.593 HG11 ' HB1' ' A' ' 89' ' ' ALA . 10.2 p -61.1 -27.77 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.335 0.588 . . . . 60.13 110.667 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -82.91 3.1 31.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.548 -0.751 . . . . 63.15 110.921 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -133.4 26.3 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.421 0.629 . . . . 73.14 110.32 -176.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 89.7 mt -103.57 156.91 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.921 -0.581 . . . . 73.34 111.387 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.79 142.69 57.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.142 173.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.83 -32.13 73.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.459 0.647 . . . . 72.42 109.36 173.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.9 ttp180 -58.5 -43.71 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.894 -1.048 . . . . 75.31 110.796 174.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.08 89.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 72.53 110.754 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.42 -40.19 96.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.879 -0.6 . . . . 64.24 110.365 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -61.08 -44.58 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.795 -0.639 . . . . 65.11 110.687 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 40.6 mm-40 -63.58 -41.51 98.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 73.4 110.84 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 30' ' ' THR . . . -72.32 -24.52 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 41.13 111.926 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tt -56.95 -46.48 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 74.11 111.092 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.591 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -71.75 -25.44 62.05 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.922 -0.311 . . . . 71.01 111.223 -176.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.591 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 18.9 mmmt -71.79 -41.74 67.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.959 -0.756 . . . . 71.41 108.959 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.52 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 32.6 tp -64.86 -47.71 76.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.205 -0.907 . . . . 74.21 110.43 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 40.1 t90 -53.03 -53.45 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 72.15 112.246 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -67.15 -40.77 86.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 74.3 112.204 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 111' ' ' ARG . 8.5 tpp180 -72.43 -32.79 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.044 -0.354 . . . . 74.13 110.044 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -58.58 -42.34 87.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 52.44 110.03 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.7 -55.21 14.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 63.53 110.956 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.88 -26.87 68.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 62.14 112.212 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.41 -46.79 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.801 -0.36 . . . . 74.54 111.097 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.13 71.15 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.041 0.385 . . . . 72.43 112.041 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 117' ' ' ARG . 24.0 mtt180 -95.14 1.5 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.729 -0.389 . . . . 74.55 110.944 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.18 -138.75 3.32 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.288 -0.958 . . . . 40.32 113.172 -175.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.674 -0.679 . . . . 60.33 109.873 -175.143 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.137 -0.32 . . . . 64.24 110.137 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.82 -17.34 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.338 0.495 . . . . 74.25 112.338 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -109.74 119.9 40.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.116 0.484 . . . . 75.53 110.309 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD11 ' HG ' ' A' ' 39' ' ' LEU . 4.7 tt -82.04 120.11 24.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.464 -0.789 . . . . 65.31 110.078 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.04 101.99 14.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.244 -0.434 . . . . 55.33 110.227 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -97.17 146.74 31.86 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 73.25 110.718 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.15 164.11 36.64 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.48 2.12 . . . . 75.54 111.657 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -15.25 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 70.12 111.29 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.33 -16.9 47.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.882 -0.599 . . . . 52.11 110.164 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 10' ' ' LEU . 2.2 tm? -84.4 110.39 18.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.316 -0.624 . . . . 43.01 109.316 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -149.7 -169.04 3.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.028 -0.533 . . . . 73.12 109.849 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.61 86.59 0.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 70.3 111.175 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -89.16 -62.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.991 -0.744 . . . . 62.23 108.991 177.076 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 t -159.83 141.61 9.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.559 -0.746 . . . . 74.3 109.766 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.82 -9.35 25.57 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.852 2.368 . . . . 64.23 111.737 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 t -75.46 115.59 15.28 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.591 -0.522 . . . . 75.12 109.591 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.2 mm-40 -69.68 -20.49 63.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.026 -0.533 . . . . 63.15 111.264 -174.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -55.8 -29.9 60.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 74.23 111.456 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -105.15 -28.67 10.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.23 0.538 . . . . 71.34 110.392 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB3' ' HA ' ' A' ' 17' ' ' GLN . 5.6 t80 -69.35 -34.03 73.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 64.34 111.442 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 17' ' ' GLN . 16.3 m -89.75 -13.2 9.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.148 0.499 . . . . 71.52 110.435 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -77.39 -5.67 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 64.35 110.609 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -59.61 -40.75 88.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.203 0.525 . . . . 72.01 109.732 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -151.34 81.4 6.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.602 -0.726 . . . . 71.0 109.25 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.32 101.67 1.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.299 1.999 . . . . 73.54 112.346 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -77.81 118.59 20.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 63.44 110.164 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.411 ' HA ' HD23 ' A' ' 36' ' ' LEU . 2.2 tmt_? -83.47 117.01 22.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.492 -0.776 . . . . 75.11 110.874 -172.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.61 174.65 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.558 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA3' HD13 ' A' ' 35' ' ' ILE . . . 94.58 -142.32 15.98 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.69 -0.767 . . . . 62.43 112.838 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -109.66 151.99 42.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.053 -0.351 . . . . 73.4 110.053 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 9.7 Cg_endo -54.8 -39.73 88.37 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.249 1.966 . . . . 63.53 111.841 170.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -73.81 -38.4 64.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.186 -0.461 . . . . 65.42 111.023 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.458 HD11 HG22 ' A' ' 69' ' ' THR . 5.5 tt -128.63 108.56 17.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 50.52 110.059 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.553 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 22.2 m -93.07 129.96 38.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 62.41 111.738 -171.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' HA3' ' A' ' 29' ' ' GLY . 4.1 mp -109.69 118.2 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.27 -0.641 . . . . 64.44 109.27 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.756 ' HB2' HG13 ' A' ' 86' ' ' VAL . 96.8 mt -112.39 146.61 38.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 70.33 110.583 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.73 -178.32 37.26 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.253 -0.739 . . . . 53.5 111.253 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -147.24 -82.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.539 -0.541 . . . . 75.34 109.539 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HG ' HD11 ' A' ' 4' ' ' LEU . 37.0 tp 170.33 90.94 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.136 -1.061 . . . . 73.15 108.136 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 83' ' ' MET . 9.8 m120 -135.45 151.86 50.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.096 -0.502 . . . . 71.42 110.107 -169.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -96.53 94.69 7.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.765 0.317 . . . . 64.12 111.026 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.686 HD23 ' HA ' ' A' ' 83' ' ' MET . 4.4 mm? -99.41 -27.38 13.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.044 0.449 . . . . 73.44 110.614 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.54 -48.29 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.928 -0.653 . . . . 75.34 112.293 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -126.2 153.42 74.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.923 -0.399 . . . . 72.12 109.923 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.89 136.61 74.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.068 2.512 . . . . 73.14 112.995 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 47' ' ' ILE . 3.7 tmt_? -144.47 143.14 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.49 -0.93 . . . . 73.42 108.49 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.496 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 11.2 tt -136.78 140.4 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 52.41 110.849 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.13 106.57 0.69 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.288 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.8 tp -77.72 122.8 25.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 74.55 110.586 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.521 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 28.4 m -94.39 109.54 21.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.954 -0.566 . . . . 74.22 110.139 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.482 ' HA ' HD21 ' A' ' 55' ' ' ASN . 12.2 p -142.41 145.56 23.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.965 -0.561 . . . . 70.53 109.952 -179.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.22 -175.19 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.458 -0.337 . . . . 74.24 110.496 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -82.7 13.73 3.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 74.31 110.849 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -114.76 -30.65 6.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.782 0.29 . . . . 63.35 111.782 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.482 HD21 ' HA ' ' A' ' 51' ' ' VAL . 24.3 p-10 -99.2 -37.07 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.14 -0.224 . . . . 65.11 111.401 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -129.6 100.96 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 71.44 109.963 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 57' ' ' ARG . 51.8 mtm180 -102.44 13.53 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.14 -0.482 . . . . 63.13 111.159 -178.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.46 124.57 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 70.51 110.107 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 62' ' ' ARG . . . -72.19 -34.29 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.732 0.641 . . . . 73.11 112.732 -170.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -68.89 -46.14 69.15 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.336 0.588 . . . . 73.21 109.947 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 65' ' ' ILE . 3.3 mp0 -58.87 -33.39 70.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.11 -0.95 . . . . 71.45 110.799 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 24.1 ttp180 -49.8 -44.39 49.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.819 -0.628 . . . . 74.22 111.21 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -88.57 0.99 55.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.412 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -103.17 -34.22 8.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.615 -0.266 . . . . 75.21 110.747 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 61' ' ' GLU . 47.3 mm -66.37 -41.74 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.13 110.823 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -75.96 3.09 10.93 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.821 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -77.7 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 72.32 109.854 174.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 68' ' ' LEU . 3.0 tm? -66.12 -38.01 87.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 75.2 110.719 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 33' ' ' ILE . 36.9 p -58.02 -49.79 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.399 . . . . 64.03 111.378 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -74.8 -31.91 61.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.843 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.31 -53.42 44.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.408 -0.36 . . . . 74.13 110.619 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -63.31 -36.87 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.371 . . . . 51.51 110.769 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.98 -45.03 96.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.545 -0.752 . . . . 73.21 111.031 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.01 -38.42 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.33 111.985 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.15 -22.06 66.87 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.856 0.688 . . . . 51.45 112.856 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 19.6 mmt180 -111.84 35.25 3.77 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.287 -0.258 . . . . 74.31 111.289 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -25.68 65.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.731 -0.668 . . . . 73.2 111.494 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -74.7 -20.15 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.357 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -118.12 41.68 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 64.52 111.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.1 pp -155.53 145.3 15.52 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 73.43 111.971 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.9 Cg_exo -81.13 162.6 20.31 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.001 2.467 . . . . 73.2 110.561 167.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.99 95.79 10.26 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.339 0.496 . . . . 75.31 112.339 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.686 ' HA ' HD23 ' A' ' 42' ' ' LEU . 3.8 mpp? -129.66 179.23 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.716 -0.674 . . . . 71.3 109.987 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.487 ' CG ' ' HD2' ' A' ' 46' ' ' ARG . 44.2 t0 -93.59 107.57 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.986 -0.746 . . . . 63.3 108.986 171.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.5 100.6 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.869 -0.605 . . . . 75.14 110.868 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.756 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.2 p -78.37 113.3 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.392 -0.822 . . . . 53.52 110.032 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.38 112.19 37.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.38 -0.827 . . . . 62.31 110.543 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.553 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 47.6 t -94.52 109.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.047 -0.524 . . . . 70.11 110.304 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -84.8 121.25 27.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.966 -0.561 . . . . 74.44 110.238 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.51 156.55 22.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.409 -0.359 . . . . 64.31 110.566 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -57.67 136.42 56.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 63.12 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.546 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 111.33 -24.51 15.69 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.923 -0.656 . . . . 74.4 111.781 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.544 HG11 ' HB1' ' A' ' 89' ' ' ALA . 8.2 p -59.22 -29.99 42.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 121.02 0.438 . . . . 74.45 111.356 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.28 17.53 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 64.12 111.239 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -147.26 32.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.773 0.797 . . . . 64.33 109.882 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 94.0 mt -105.21 167.45 9.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 74.02 111.146 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.41 160.27 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.622 -0.717 . . . . 65.44 110.236 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 27.6 t-20 -59.07 -27.87 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 63.34 110.972 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -66.66 -18.89 65.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.593 -0.276 . . . . 62.4 111.028 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.69 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.626 -0.261 . . . . 54.43 111.453 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 98' ' ' ASN . 4.3 pp -73.9 -22.19 59.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 61.51 110.607 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 t -76.33 -38.98 55.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 65.22 109.769 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -67.91 -49.33 62.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 64.31 110.246 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.67 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -62.28 -23.37 66.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.742 -0.663 . . . . 70.05 111.684 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 tp -58.49 -43.9 89.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 65.53 110.917 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.612 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -77.03 -29.79 55.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.638 -0.425 . . . . 73.2 110.009 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.67 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.8 mmmt -64.58 -30.31 71.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.161 0.505 . . . . 71.52 109.638 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 4.2 mm? -80.92 -61.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 65.1 110.687 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -57.91 -56.47 21.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.572 0.582 . . . . 73.03 112.572 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.17 -37.63 83.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.78 . . . . 72.33 111.075 -173.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -82.86 -35.57 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.906 -0.588 . . . . 72.25 111.164 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.569 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.0 t-160 -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.941 -174.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.2 t -64.21 -41.45 97.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.721 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -70.5 -22.7 62.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.02 111.103 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -85.15 -46.61 10.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.278 -0.419 . . . . 65.34 110.668 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -30.17 71.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 75.42 111.196 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -93.15 93.33 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.493 . . . . 64.14 110.069 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 140.71 45.51 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.82 -0.627 . . . . 73.43 111.871 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.394 -0.813 . . . . 75.3 109.848 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.778 0.323 . . . . 61.24 110.534 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.65 168.81 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.165 -0.47 . . . . 72.22 109.91 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 31.7 ttpt -158.57 172.52 18.15 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.083 -0.71 . . . . 74.11 109.083 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 3.6 mm? -83.25 73.67 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.343 0.592 . . . . 65.42 110.29 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.06 93.35 2.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.312 -0.858 . . . . 74.53 109.917 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 93.3 m-85 -99.46 113.78 65.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 75.21 109.8 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 12.9 Cg_endo -56.0 -17.65 20.04 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.54 2.827 . . . . 73.21 113.285 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HE ' ' CD ' ' A' ' 9' ' ' GLU . 3.1 ptm180 -70.26 -42.72 71.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 75.35 111.472 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CD ' ' HE ' ' A' ' 8' ' ' ARG . 27.6 mp0 -106.15 5.54 30.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 75.44 110.68 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -70.21 -11.26 60.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.425 . . . . 75.15 111.936 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -71.91 -25.92 62.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.49 -0.559 . . . . 73.44 109.49 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.4 mt -86.99 87.51 7.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.828 -0.624 . . . . 75.43 109.815 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -76.14 115.17 15.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.462 0.649 . . . . 51.43 111.244 -178.703 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 6.7 t -161.39 135.49 5.08 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.753 -0.658 . . . . 64.42 110.095 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 3.3 Cg_exo -81.24 9.47 3.84 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.955 2.437 . . . . 70.2 111.972 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -83.6 112.3 19.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 53.55 110.844 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.4 pm0 -70.01 -24.92 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.816 -0.439 . . . . 72.25 109.816 175.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -62.74 -33.1 74.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.246 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.88 -0.6 . . . . 72.33 110.304 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 24.7 t80 -79.63 -36.01 38.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.026 -0.534 . . . . 63.52 110.442 -178.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.904 ' HB ' ' HA2' ' A' ' 37' ' ' GLY . 18.9 m -74.75 -25.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 63.22 110.582 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -70.07 -16.65 63.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.174 0.511 . . . . 61.34 110.463 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.571 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 60.4 mt-30 -65.13 -29.36 70.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.677 -0.692 . . . . 72.13 111.326 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . 59.9 tt0 -169.59 77.65 0.68 Allowed Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.698 -0.482 . . . . 75.5 109.698 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -88.53 131.27 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.785 2.324 . . . . 73.24 113.174 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -84.29 139.16 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.775 -0.454 . . . . 70.52 109.775 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HA ' HD23 ' A' ' 36' ' ' LEU . 2.3 tmm_? -96.74 113.02 24.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.447 -173.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.91 141.07 44.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.429 -0.35 . . . . 70.41 110.654 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.01 -137.13 10.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.599 -0.81 . . . . 74.13 112.612 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.6 p -130.18 163.52 47.15 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.364 . . . . 70.53 110.019 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 37.7 Cg_endo -66.83 -8.15 20.56 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 74.52 113.154 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.472 ' HG3' HG23 ' A' ' 93' ' ' VAL . 8.2 tp-100 -99.07 -31.34 11.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 74.4 110.167 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 tt -144.14 108.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.573 0.702 . . . . 44.23 109.463 174.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -111.04 131.46 55.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.505 -0.77 . . . . 62.52 111.247 -173.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.4 mp -101.01 118.64 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.304 -0.628 . . . . 70.1 109.304 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 27' ' ' ARG . 80.2 mt -120.72 164.38 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.947 -0.57 . . . . 51.4 110.045 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.904 ' HA2' ' HB ' ' A' ' 21' ' ' VAL . . . 147.57 167.73 13.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 119.884 -1.15 . . . . 61.2 113.448 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.629 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 17.4 ptt180 -163.1 143.85 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.497 -0.927 . . . . 73.31 108.497 174.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 40' ' ' ASN . 16.2 tp -169.92 -104.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.773 -0.455 . . . . 54.35 109.773 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 61.1 t30 178.18 157.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.8 -0.815 . . . . 73.42 108.8 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -71.7 84.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.218 0.532 . . . . 64.11 109.91 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.51 -7.17 32.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.956 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.07 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.451 -0.881 . . . . 40.25 112.06 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -135.94 86.8 25.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.745 0.307 . . . . 73.44 110.434 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' A' ' 82' ' ' ALA . 73.1 Cg_endo -90.48 142.81 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.923 2.415 . . . . 72.35 113.077 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 12.7 tpt180 -157.37 143.24 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.726 -0.472 . . . . 71.14 109.726 176.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 tt -87.5 116.26 29.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.373 0.606 . . . . 71.21 110.957 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.66 69.74 0.61 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.024 -0.608 . . . . 45.3 111.787 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.27 109.88 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.151 0.5 . . . . 73.12 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.0 m -101.8 100.05 10.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.868 -0.606 . . . . 74.41 110.06 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.78 115.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.399 -0.818 . . . . 55.21 110.665 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.81 158.11 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.654 -0.703 . . . . 51.34 110.786 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.42 -10.29 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 74.5 111.631 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 21.0 ptmt -93.7 -12.64 28.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.997 0.427 . . . . 71.31 110.311 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.0 m-20 -102.25 -50.48 3.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 64.04 110.203 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 62' ' ' ARG . 45.5 t -126.07 126.74 70.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.508 -0.923 . . . . 63.41 108.508 174.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.632 ' HB2' ' HD2' ' A' ' 58' ' ' ARG . 81.1 mtt180 -101.06 -63.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 63.5 111.955 -165.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.73 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 4.7 mpt_? -68.38 145.52 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.573 -168.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.83 81.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 72.43 110.731 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.42 -36.84 85.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.225 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.73 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 60.5 mt-10 -65.28 -56.04 14.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.208 0.528 . . . . 60.33 110.19 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 62' ' ' ARG . 50.4 mtm180 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.42 -0.809 . . . . 74.43 111.595 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 27.1 t-20 -69.6 -45.69 68.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.157 -0.312 . . . . 75.04 110.157 174.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -64.09 -40.12 95.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 75.55 111.16 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.2 mm -60.91 -37.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.25 110.754 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -78.06 -1.02 30.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.375 . . . . 70.31 111.565 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 51.7 mtt180 -99.66 -37.0 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 75.42 109.947 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.98 -58.06 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.314 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.5 p -68.02 -32.75 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 75.14 111.693 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -72.96 -20.33 61.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.677 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -97.66 -28.83 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 65.13 110.924 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.2 p -67.44 -45.27 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 64.23 110.881 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HA ' ' CH2' ' A' ' 109' ' ' TRP . 55.1 m-85 -72.59 -11.56 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.448 . . . . 74.1 110.863 177.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -102.1 -5.93 23.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 75.11 110.354 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HG ' ' HG3' ' A' ' 76' ' ' ARG . 62.6 tp -77.62 -58.47 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 64.15 110.398 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HB3' ' HG2' ' A' ' 79' ' ' GLU . 28.4 mtp85 -129.9 77.03 1.76 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 64.51 110.575 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -75.23 2.52 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 63.24 111.869 -177.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.6 -11.65 42.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.715 -0.476 . . . . 75.54 109.715 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 76' ' ' ARG . 35.1 mm-40 -94.19 11.27 30.75 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.081 -0.711 . . . . 74.44 109.081 173.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 112' ' ' HIS . 22.9 tp -132.2 125.22 19.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.027 -0.988 . . . . 72.14 110.307 -173.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.45 137.97 62.92 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.243 1.962 . . . . 72.01 110.772 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -75.94 86.93 2.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.089 0.471 . . . . 72.05 111.937 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ptp -157.5 -178.7 7.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.376 -0.829 . . . . 54.24 109.478 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 46' ' ' ARG . 4.8 m-20 -82.39 119.46 24.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.762 0.315 . . . . 61.14 110.866 177.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -112.14 133.25 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.32 -0.4 . . . . 72.43 110.595 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.7 t -94.73 118.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.099 -0.501 . . . . 62.42 110.726 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.82 105.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.056 -0.52 . . . . 65.13 110.021 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.5 t -89.96 106.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 70.03 110.657 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 74.21 109.948 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.0 mmpt? -80.23 176.65 9.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 71.54 111.524 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 48.2 mtmt -67.87 126.87 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.496 -0.774 . . . . 74.32 111.358 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.92 29.82 66.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.604 -0.726 . . . . 54.41 112.884 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 8.1 p -69.76 -21.53 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.922 0.392 . . . . 70.32 110.87 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 65' ' ' ILE . . . -90.54 -2.31 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 65.24 110.994 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.83 35.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.188 0.994 . . . . 63.12 110.082 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.3 153.86 35.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.285 -0.87 . . . . 74.34 109.589 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.81 151.25 47.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.756 -0.461 . . . . 63.35 109.756 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -63.67 -24.47 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.719 0.295 . . . . 71.15 111.132 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 99' ' ' ARG . 12.1 ttm180 -68.01 -51.07 51.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 72.53 109.325 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.2 88.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.427 -0.806 . . . . 74.44 111.01 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.13 -45.2 87.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 74.51 110.624 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 t -66.59 -41.69 88.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.126 -0.488 . . . . 64.35 110.26 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.45 5.56 10.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 70.33 111.491 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.74 -35.83 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 33.03 109.697 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 2.8 tm? -66.0 -43.82 86.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.29 -0.868 . . . . 74.23 110.034 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 2.9 pt-20 -61.8 -31.85 72.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 70.32 110.934 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 29.5 mmmt -61.81 -51.9 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 72.22 110.424 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -71.97 -30.52 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.875 -0.602 . . . . 75.14 111.374 -175.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 73' ' ' PHE . 23.5 t-105 -81.02 -39.06 26.44 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.669 -0.412 . . . . 73.43 110.458 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.87 -34.94 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.288 -0.634 . . . . 51.23 109.288 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.466 -0.788 . . . . 70.24 109.995 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.501 ' CE1' HD12 ' A' ' 80' ' ' LEU . 22.0 t-80 -71.25 -39.9 71.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.894 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.66 -47.64 84.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.155 0.502 . . . . 72.42 110.138 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -79.96 15.39 1.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 61.22 111.306 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 tp -125.62 -50.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.873 0.368 . . . . 74.5 110.591 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.62 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 73.2 111.487 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 117' ' ' ARG . 67.7 mtt-85 -87.68 14.9 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 61.32 110.928 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.97 -111.59 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.84 -0.695 . . . . 74.11 111.898 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.385 -0.816 . . . . 72.44 109.503 179.338 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.8 mtm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.24 -0.282 . . . . 71.21 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 145.61 10.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.388 -0.369 . . . . 72.32 110.32 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.608 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 37.8 ttmt -152.59 156.62 39.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.404 -0.362 . . . . 72.53 110.265 -173.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 3.7 mm? -72.19 -23.53 61.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.069 0.461 . . . . 71.21 110.072 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.608 ' H ' ' HG2' ' A' ' 3' ' ' LYS . . . -99.75 120.44 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 31.53 109.281 174.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.456 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 92.4 m-85 -75.14 132.76 76.12 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.458 -0.337 . . . . 73.21 110.815 -176.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 21.9 Cg_exo -66.33 1.47 2.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.142 2.561 . . . . 74.11 112.731 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -85.22 -9.78 57.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.903 -0.59 . . . . 75.52 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.642 ' HG3' HD22 ' A' ' 10' ' ' LEU . 5.3 pt-20 -75.96 -18.28 59.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.86 0.362 . . . . 63.04 110.487 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.642 HD22 ' HG3' ' A' ' 9' ' ' GLU . 2.9 mm? -84.18 77.07 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.185 0.517 . . . . 73.41 109.637 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 69.0 ttt180 -165.5 160.18 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 64.12 109.341 -175.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.01 106.84 0.46 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.233 0.539 . . . . 72.13 109.758 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' ARG . 96.6 mt -114.96 143.9 44.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.73 -0.668 . . . . 74.04 110.111 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -68.25 127.45 93.26 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 109.648 -0.501 . . . . 63.21 109.648 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.65 96.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.239 2.626 . . . . 44.24 113.076 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 t -172.34 123.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.195 -0.911 . . . . 72.12 108.9 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.94 -17.75 54.96 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.714 -0.394 . . . . 63.55 110.207 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 21' ' ' VAL . 89.4 m-85 -84.58 -45.42 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 63.43 110.004 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.689 ' HA ' ' HD2' ' A' ' 22' ' ' PHE . 23.7 m -66.51 -12.59 58.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.251 0.548 . . . . 62.33 110.961 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.5 -39.56 80.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.818 -0.628 . . . . 74.13 110.509 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 18' ' ' PHE . 13.4 m -85.89 -7.25 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 53.23 110.863 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.689 ' HD2' ' HA ' ' A' ' 19' ' ' THR . 24.7 m-85 -77.18 3.72 12.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.075 0.464 . . . . 63.4 110.936 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -87.25 -69.76 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.991 -0.744 . . . . 71.42 108.991 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -143.37 99.01 5.38 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 72.4 109.796 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -93.81 170.93 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.052 2.501 . . . . 74.24 113.627 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -117.14 99.46 7.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.784 -0.644 . . . . 64.3 109.386 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' HG3' HG23 ' A' ' 34' ' ' THR . 40.1 ttt-85 -75.79 118.8 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.108 -0.496 . . . . 64.41 111.458 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.08 91.7 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.871 -0.604 . . . . 74.25 110.272 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.15 -158.03 17.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.103 -0.57 . . . . 50.34 111.828 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 68.3 p -114.96 173.78 2.72 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.426 -0.213 . . . . 50.11 110.426 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 31.6 Cg_exo -61.09 -27.63 84.58 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.683 2.255 . . . . 61.54 113.269 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -91.52 -35.7 14.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.807 -0.357 . . . . 74.34 111.474 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 tt -128.11 104.39 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.658 0.742 . . . . 73.21 110.22 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' HG3' ' A' ' 27' ' ' ARG . 52.9 m -101.06 112.29 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.449 -0.796 . . . . 51.41 111.323 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.4 mt -94.65 115.13 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 71.24 110.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.718 ' HB2' HG13 ' A' ' 86' ' ' VAL . 3.1 mm? -86.57 105.08 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.221 -0.659 . . . . 74.15 109.221 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.618 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -96.13 160.98 22.37 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.563 -0.827 . . . . 64.44 112.836 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -141.54 138.45 32.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.026 -0.361 . . . . 65.12 110.026 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 2.6 mm? -88.36 4.55 45.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.002 0.43 . . . . 62.13 110.534 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.08 98.79 0.61 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.557 -0.905 . . . . 72.3 108.557 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 12.4 t -82.44 107.09 14.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.22 0.534 . . . . 53.44 111.111 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.67 -1.9 29.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 72.21 110.41 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.92 37.61 94.07 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.724 -0.751 . . . . 70.33 111.457 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -127.67 86.8 57.51 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.96 -0.385 . . . . 53.24 109.96 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.534 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 4.0 Cg_exo -75.5 102.26 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.87 2.38 . . . . 74.24 111.959 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -146.14 150.81 36.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.839 0.352 . . . . 75.23 110.373 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.39 108.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.358 0.599 . . . . 72.15 110.0 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.06 91.32 1.44 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.944 -0.646 . . . . 50.45 112.28 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 69' ' ' THR . 59.8 tp -72.96 110.7 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 72.1 109.93 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 104.57 13.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.942 -0.572 . . . . 73.34 109.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.12 136.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.001 -0.545 . . . . 43.23 110.053 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.69 146.42 36.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.341 -0.614 . . . . 72.14 109.341 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 61.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.642 0.734 . . . . 65.24 111.586 -175.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 4.2 ptpp? -130.06 -36.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 71.3 110.158 174.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.9 p-10 -90.05 -35.54 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.681 -0.488 . . . . 73.31 109.681 177.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -117.35 89.18 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.759 -0.655 . . . . 65.52 109.657 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -108.34 74.97 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.207 0.527 . . . . 75.34 110.362 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.7 tpm_? -161.1 -149.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 64.41 109.032 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.477 ' H ' ' HG3' ' A' ' 58' ' ' ARG . . . -134.21 -47.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.509 0.559 . . . . 64.52 112.509 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -69.38 -30.58 68.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.378 0.609 . . . . 75.01 110.613 -172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.605 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 22.5 mp0 -71.74 -15.89 62.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.111 -0.95 . . . . 75.15 111.503 -174.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.91 -42.72 94.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.097 0.475 . . . . 72.53 110.592 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.75 -34.43 60.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 74.43 110.312 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 98.5 mtt180 -58.44 -51.49 69.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.702 -0.681 . . . . 72.01 111.449 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.48 -39.76 86.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.073 -0.512 . . . . 71.11 111.1 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 66.4 mttm -69.58 -36.35 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 74.35 111.69 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -64.75 -47.12 79.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.748 -0.381 . . . . 73.43 111.304 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.3 -48.05 81.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.337 . . . . 73.45 110.651 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.42 HG21 HD13 ' A' ' 49' ' ' LEU . 6.1 p -62.32 -56.86 14.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 74.1 112.212 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 58.5 mtm180 -57.71 -43.03 84.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.785 0.326 . . . . 74.15 111.421 -177.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.65 -40.01 92.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 73.13 111.289 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.562 ' CB ' HD11 ' A' ' 105' ' ' LEU . 38.9 t -75.5 -36.76 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.986 -0.286 . . . . 72.45 110.649 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 77.9 t80 -62.75 -32.44 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.137 0.494 . . . . 70.23 110.248 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -75.3 -43.4 51.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.485 -0.779 . . . . 64.44 111.21 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.87 -32.0 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 65.24 111.524 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -93.49 7.94 42.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.096 0.474 . . . . 55.13 110.094 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 8.1 tp-100 -79.96 79.67 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 73.32 111.891 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 77' ' ' GLN . 8.9 t-80 167.08 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.376 -0.829 . . . . 72.13 109.132 174.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.45 -38.04 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.718 -0.674 . . . . 51.43 110.289 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 3.5 pp -104.37 158.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 64.34 109.967 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 80' ' ' LEU . 23.6 Cg_endo -61.81 127.33 21.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.558 2.172 . . . . 73.33 112.161 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 45' ' ' PRO . . . -72.7 90.8 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 65.11 111.154 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 20.6 mmt -124.29 179.7 4.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 71.33 109.844 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.73 107.29 19.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.16 -0.681 . . . . 70.24 109.16 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.618 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 71.3 m-85 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.243 -0.435 . . . . 65.11 111.305 -174.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.5 p -94.78 123.44 46.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.572 . . . . 73.12 109.542 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.39 113.71 45.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.01 -0.541 . . . . 72.13 110.565 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.5 t -102.95 117.91 49.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.089 0.471 . . . . 62.3 110.429 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -80.63 136.48 36.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.695 . . . . 74.23 110.313 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.608 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.4 mmpt? -103.93 -171.82 2.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.222 -0.445 . . . . 75.51 110.366 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 58.1 pttt -73.12 143.42 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.428 -0.351 . . . . 72.33 110.911 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.38 4.18 71.23 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.785 -0.721 . . . . 74.22 113.24 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.4 p -82.44 -21.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 63.01 110.989 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.49 -25.28 31.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 54.35 111.063 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -124.13 104.38 8.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.099 -0.5 . . . . 43.43 110.003 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.44 168.08 20.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.985 -0.552 . . . . 42.55 110.805 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 24.7 m-20 -74.58 165.42 25.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.528 . . . . 71.13 110.246 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -64.01 -45.83 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.426 -0.352 . . . . 71.11 111.723 -173.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -85.7 -15.61 41.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 75.03 110.48 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . . . -65.77 -24.01 66.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 74.32 111.948 -174.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 102' ' ' SER . 4.2 pp -65.66 -33.59 76.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.839 0.352 . . . . 73.04 110.315 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.513 ' N ' HD12 ' A' ' 101' ' ' LEU . 8.7 t -78.87 -33.04 46.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.909 -0.774 . . . . 33.51 108.909 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 51.9 mt-10 -72.31 2.17 6.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.308 -0.86 . . . . 72.44 111.616 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.53 -38.17 3.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.294 0.569 . . . . 63.44 109.795 173.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 21.3 tp -68.31 -57.88 5.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.689 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.726 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 1.5 pt-20 -65.34 -16.07 63.2 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.844 0.313 . . . . 73.55 111.844 -173.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.726 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.2 mmmt -75.76 -43.8 44.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.915 -0.402 . . . . 74.31 109.915 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.5 pp -71.25 -19.87 62.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 75.15 110.124 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.552 ' O ' ' HB2' ' A' ' 113' ' ' CYS . 10.9 m0 -60.65 -32.13 71.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.372 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 7.5 mpt_? -91.28 -45.08 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.52 110.854 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -57.81 -40.36 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 64.42 110.802 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -87.28 -0.06 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 75.42 110.652 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 109' ' ' TRP . 34.8 t -92.31 -34.08 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.955 0.407 . . . . 72.33 110.024 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -70.22 -21.55 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 73.34 109.331 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.1 tp -95.31 9.99 37.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.759 . . . . 50.53 109.71 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.09 -47.01 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.664 . . . . 71.1 110.868 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.8 6.25 19.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 74.34 111.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.79 -177.08 48.04 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.659 -0.781 . . . . 42.44 112.205 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.825 -0.607 . . . . 71.05 110.566 179.789 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.394 0.14 . . . . 73.41 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 m -80.34 86.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.897 0.856 . . . . 61.34 110.825 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -153.56 142.94 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.168 -0.924 . . . . 73.43 109.022 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' CD1' HD12 ' A' ' 39' ' ' LEU . 12.1 tp -69.57 -33.2 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.177 0.513 . . . . 63.42 110.044 -175.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.39 134.42 34.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.851 -0.613 . . . . 61.13 110.124 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -68.49 156.17 91.12 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 70.22 111.425 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 39.4 Cg_endo -66.99 166.2 23.66 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.668 2.245 . . . . 62.45 112.892 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 8' ' ' ARG . 16.1 ptt180 -60.14 -30.57 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 75.14 111.669 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' OE1' ' HB2' ' A' ' 7' ' ' PRO . 11.4 mp0 -70.37 -7.22 41.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.817 -177.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 10' ' ' LEU . 1.7 tm? -69.74 -19.48 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 61.54 109.893 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 75.27 91.41 0.08 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.413 -0.812 . . . . 70.25 110.996 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -115.67 96.6 5.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.237 0.541 . . . . 70.13 110.216 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.04 148.05 23.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.969 -0.559 . . . . 62.05 109.735 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.439 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 61.5 p 52.72 89.46 0.1 OUTLIER Pre-proline 0 N--CA 1.465 0.318 0 O-C-N 123.952 0.782 . . . . 74.14 111.385 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 14' ' ' THR . 12.6 Cg_endo -56.59 98.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.125 2.55 . . . . 73.02 112.964 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -163.23 150.39 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.451 -0.795 . . . . 72.41 108.904 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.717 ' HG2' ' HB3' ' A' ' 84' ' ' ASP . 1.1 mp0 -62.11 -32.84 73.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.547 -0.297 . . . . 62.11 110.337 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -55.85 -55.47 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 70.1 110.803 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -66.48 -32.26 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 73.31 111.008 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.41 -50.44 52.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 73.1 111.161 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -77.73 -16.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 71.13 111.402 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -75.04 -21.85 58.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 55.24 110.995 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -60.4 -42.82 96.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 50.32 110.942 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 2.9 tm0? -155.12 86.79 3.35 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.629 -0.878 . . . . 72.31 108.629 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.54 ' HB2' HD22 ' A' ' 36' ' ' LEU . 2.3 Cg_endo -81.65 126.76 5.41 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.162 2.575 . . . . 72.03 113.316 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -78.35 122.03 25.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.605 -0.887 . . . . 73.11 108.605 171.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -98.49 127.87 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.21 0.529 . . . . 73.1 111.818 -173.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -140.96 162.41 35.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.634 -0.712 . . . . 72.44 109.625 172.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.95 167.35 27.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.279 -0.962 . . . . 13.43 113.234 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.635 HG22 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -61.26 149.72 81.88 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 123.338 0.655 . . . . 74.51 110.697 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.635 ' HD2' HG22 ' A' ' 30' ' ' THR . 50.4 Cg_exo -55.74 -17.57 18.4 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.79 2.327 . . . . 71.23 114.036 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 90' ' ' LYS . 27.5 mp0 -94.41 -11.52 29.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 71.51 111.264 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.26 94.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.686 0.755 . . . . 75.14 109.689 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -97.26 108.89 21.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.731 -0.668 . . . . 60.23 111.437 -171.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.67 116.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.235 -0.654 . . . . 71.3 109.235 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 25' ' ' PRO . 95.6 mt -117.32 143.21 46.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 61.24 110.107 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.725 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -173.07 -179.01 43.47 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.162 -1.018 . . . . 40.44 112.578 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.726 ' HG3' HD23 ' A' ' 39' ' ' LEU . 6.4 tpt180 -152.75 153.91 34.16 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.228 -0.656 . . . . 74.22 109.228 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.726 HD23 ' HG3' ' A' ' 38' ' ' ARG . 1.7 pt? -62.99 122.65 16.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.017 0.437 . . . . 75.34 110.506 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -145.41 140.01 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 73.03 110.444 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' A' ' 4' ' ' LEU . 8.9 m -98.78 103.1 15.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.064 -0.517 . . . . 74.24 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -149.31 -49.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.703 0.287 . . . . 51.43 110.344 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.638 ' HA2' ' HB1' ' A' ' 82' ' ' ALA . . . 93.73 40.27 4.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.297 -0.954 . . . . 73.22 110.901 -173.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' HD12 ' A' ' 42' ' ' LEU . 54.0 t-80 -131.67 85.75 50.99 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.282 -0.459 . . . . 75.24 110.086 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -96.19 94.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.107 2.538 . . . . 51.41 112.243 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 46' ' ' ARG . 11.5 mmt180 -110.29 -169.69 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.078 0.466 . . . . 73.24 110.573 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 tt -121.45 88.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.765 0.793 . . . . 63.11 109.747 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.45 61.16 4.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 32.22 112.601 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.24 109.02 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.094 0.473 . . . . 72.11 110.374 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 19.9 m -100.26 98.69 9.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.929 -0.578 . . . . 71.45 110.312 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -103.26 93.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 74.44 111.425 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . . . -70.32 134.93 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.98 -0.555 . . . . 70.43 110.363 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HB3' ' HD3' ' A' ' 58' ' ' ARG . 56.6 pttt -78.45 7.73 6.19 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.256 0.465 . . . . 73.34 112.256 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -91.68 -24.7 19.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.213 0.53 . . . . 72.41 110.091 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 4.9 p-10 -116.99 -26.62 6.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 73.45 110.598 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 58' ' ' ARG . 18.4 t -98.08 136.67 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.47 -0.937 . . . . 70.05 108.47 171.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.548 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 73.7 mtp180 -66.51 -14.44 62.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 74.2 111.263 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' H ' HG12 ' A' ' 56' ' ' VAL . 16.5 tpt180 74.13 25.06 1.85 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.669 -0.696 . . . . 61.15 111.552 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 -88.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.555 -0.458 . . . . 72.34 111.983 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -106.46 -20.64 13.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.391 0.615 . . . . 73.54 110.691 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.75 ' H ' ' CD ' ' A' ' 61' ' ' GLU . 3.8 mp0 -58.91 -45.95 89.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.02 -0.991 . . . . 53.2 110.441 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -20.26 65.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.684 -0.689 . . . . 74.43 110.887 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.599 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 56.0 t30 -70.46 -40.45 73.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.438 -0.346 . . . . 54.42 110.162 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HD3' HH11 ' A' ' 64' ' ' ARG . 17.9 ttm180 -70.83 -40.42 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.187 0.518 . . . . 73.32 109.889 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.7 mm -60.98 -42.8 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.71 . . . . 71.5 111.108 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.599 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 22.7 pttp -79.29 5.0 13.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.634 -0.257 . . . . 54.23 111.303 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -103.58 -42.46 5.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 75.24 110.533 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 68' ' ' LEU . 2.2 tm? -65.3 -49.68 68.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.737 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 64.1 110.824 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 29.1 ttt180 -48.04 -52.62 19.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.44 -0.8 . . . . 64.24 111.418 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.25 -48.43 70.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.961 -0.563 . . . . 72.12 110.88 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 p -69.25 -24.66 64.01 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.518 0.562 . . . . 73.35 112.518 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -96.15 -15.54 22.04 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.553 0.575 . . . . 75.25 112.553 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.7 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.4 mmp_? -104.88 -32.67 8.68 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.394 -0.522 . . . . 72.33 112.076 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.3 mm? -80.42 -12.18 59.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 74.33 110.9 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.669 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 82.8 mtm180 -115.53 82.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.286 -0.416 . . . . 75.23 109.986 175.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' H ' ' CD ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -93.75 10.11 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.52 -0.309 . . . . 71.23 111.645 -175.783 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -127.91 9.46 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.742 0.782 . . . . 74.23 109.202 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.669 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 19.8 tp10 -81.71 -27.6 33.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.149 -0.932 . . . . 72.12 110.049 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.3 pt? -136.15 154.85 77.65 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.626 -0.716 . . . . 70.12 109.794 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 16.5 Cg_exo -68.66 179.65 2.99 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.633 2.222 . . . . 75.21 111.74 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.638 ' HB1' ' HA2' ' A' ' 43' ' ' GLY . . . -80.08 44.31 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.338 0.59 . . . . 45.23 111.188 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.6 ' SD ' ' HA ' ' A' ' 39' ' ' LEU . 56.0 mtt -108.08 166.16 10.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.454 -0.794 . . . . 75.41 109.525 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.717 ' HB3' ' HG2' ' A' ' 17' ' ' GLN . 22.5 t70 -111.48 126.92 55.47 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.787 -0.449 . . . . 73.02 109.787 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.725 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 97.2 m-85 -122.44 139.71 53.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.797 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.21 123.76 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.443 0.64 . . . . 74.44 110.118 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.97 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.776 -0.647 . . . . 73.22 109.726 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.409 ' HA ' ' HB ' ' A' ' 50' ' ' THR . 38.7 t -88.49 116.22 29.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.921 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -73.32 133.74 43.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.785 -0.643 . . . . 74.43 109.881 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 75.4 mmtt -111.83 177.77 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 73.24 111.19 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 55.1 tptt -66.14 115.0 5.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.772 -0.649 . . . . 65.12 110.777 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.89 -24.98 5.36 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.767 -0.73 . . . . 70.33 112.459 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.587 HG11 ' HB1' ' A' ' 89' ' ' ALA . 9.8 p -71.27 -20.57 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.043 0.449 . . . . 71.34 111.468 -175.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.02 3.1 47.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.141 0.496 . . . . 42.21 110.796 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.9 87.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 75.23 109.675 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.69 165.1 22.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.912 -0.585 . . . . 55.4 110.122 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 29.6 t70 -70.45 140.46 51.97 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.485 -0.561 . . . . 75.53 109.485 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.136 0.493 . . . . 61.04 111.096 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 1.4 ttp180 -86.1 -21.75 27.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 73.11 110.765 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 97' ' ' ASP . . . -71.75 -5.19 32.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 61.3 112.615 -173.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 102' ' ' SER . 4.3 pp -68.22 -24.8 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 74.21 110.204 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.429 ' N ' HD12 ' A' ' 101' ' ' LEU . 16.2 m -72.78 -22.07 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.877 -0.601 . . . . 71.32 110.429 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.72 -46.5 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 54.1 109.758 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.65 74.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 73.14 110.748 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.1 -37.29 87.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 61.42 111.38 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.607 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -72.29 -31.21 65.52 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 120.707 -0.397 . . . . 75.51 110.225 -177.689 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.607 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -69.94 -37.48 75.87 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.844 -0.798 . . . . 75.11 108.844 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.652 ' HG ' HH22 ' A' ' 76' ' ' ARG . 44.5 tp -77.89 4.04 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.13 -0.941 . . . . 72.3 110.703 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -116.02 -63.11 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.989 -0.55 . . . . 71.23 109.995 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -64.15 -51.91 61.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 64.24 111.972 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -72.5 -22.93 60.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.003 0.43 . . . . 72.34 110.38 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.45 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 58.1 t-80 -77.83 -48.66 15.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 74.11 110.784 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 31.2 t -62.05 -37.94 86.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.192 0.52 . . . . 74.01 110.27 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -84.69 6.59 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.33 111.066 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 28' ' ' ALA . 46.2 tp -95.01 -33.09 12.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 75.11 110.049 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.74 60.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 74.12 110.565 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -83.25 94.78 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.909 -0.587 . . . . 70.24 109.654 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 145.6 -1.23 0.96 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.671 -0.776 . . . . 54.5 112.617 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.748 -0.644 . . . . 62.31 110.138 177.104 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 111.554 0.205 . . . . 73.01 111.554 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.05 100.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.557 -0.535 . . . . 73.42 109.557 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -151.32 -73.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 75.33 109.966 -173.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -99.26 -33.12 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.716 -0.674 . . . . 73.24 109.492 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.81 154.11 17.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.593 -0.731 . . . . 65.21 109.939 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -117.98 128.62 25.88 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.298 -0.41 . . . . 74.53 111.02 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.8 161.26 18.81 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.132 2.555 . . . . 63.43 112.21 177.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -77.8 92.44 4.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.978 0.895 . . . . 64.42 110.226 178.085 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.18 -63.18 0.17 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.808 . . . . 75.43 110.463 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.98 -53.93 52.62 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.709 -0.849 . . . . 62.13 108.709 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -176.74 149.92 0.79 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.972 -1.013 . . . . 74.04 108.478 170.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.1 tp -91.82 99.72 12.54 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.611 HD23 HG22 ' A' ' 19' ' ' THR . 5.2 mp -71.49 135.38 47.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.564 -0.744 . . . . 62.02 110.411 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -70.76 146.03 92.89 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.753 -0.658 . . . . 70.31 111.397 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.09 96.56 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.927 2.418 . . . . 55.2 112.445 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -163.44 143.18 8.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.082 -1.081 . . . . 75.45 108.082 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 11.1 mm-40 -65.94 -31.9 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.577 0.227 . . . . 74.12 111.237 -175.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -66.23 -28.29 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.221 0.534 . . . . 74.31 110.38 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.611 HG22 HD23 ' A' ' 13' ' ' LEU . 1.4 m -93.8 -29.88 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 64.33 110.384 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -70.14 -35.79 74.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 75.12 110.745 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.832 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 10.6 p -76.63 -23.24 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 43.12 110.619 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -70.53 -21.12 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.252 0.548 . . . . 72.42 110.56 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' HG3' HD22 ' A' ' 13' ' ' LEU . 75.4 mt-30 -63.99 -62.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 74.33 111.722 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -159.79 89.26 1.91 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 73.24 110.114 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -97.75 148.98 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.367 2.711 . . . . 70.43 113.232 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' HB3' HD21 ' A' ' 115' ' ' LEU . 87.2 mm-40 -88.29 97.31 10.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.819 -0.808 . . . . 55.3 108.819 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.763 ' HE ' HG23 ' A' ' 34' ' ' THR . 2.6 tmt_? -82.52 116.62 22.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.692 -0.686 . . . . 70.44 110.642 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.43 129.44 31.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.711 -0.677 . . . . 60.24 109.774 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.65 -164.06 31.96 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.437 -0.887 . . . . 74.21 112.412 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 46.2 p -123.63 176.23 2.33 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.071 -0.344 . . . . 73.31 110.071 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_exo -62.94 -14.35 40.7 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.482 2.121 . . . . 52.33 112.398 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -87.64 -41.65 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 73.53 110.399 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.8 tt -143.18 127.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 71.21 110.951 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.763 HG23 ' HE ' ' A' ' 27' ' ' ARG . 52.1 m -117.33 121.48 41.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.011 0.434 . . . . 44.51 111.353 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.516 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 60.4 mt -104.45 118.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 60.53 110.134 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.643 ' HB2' HG13 ' A' ' 86' ' ' VAL . 89.2 mt -101.28 105.69 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.36 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.54 2.69 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.475 -0.869 . . . . 53.35 112.169 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.832 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 2.0 tmt_? -91.43 136.5 33.07 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.132 -0.692 . . . . 64.35 109.132 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.529 HD13 ' HG2' ' A' ' 83' ' ' MET . 3.3 mm? -66.35 87.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.394 -0.366 . . . . 73.3 110.191 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.793 ' HB3' ' HB2' ' A' ' 84' ' ' ASP . 36.5 t30 -125.44 115.94 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.228 -0.656 . . . . 73.41 109.228 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 t -80.39 86.08 5.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.315 0.579 . . . . 74.12 110.484 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD22 ' HD2' ' A' ' 46' ' ' ARG . 36.4 tp -94.93 -11.96 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.635 -0.711 . . . . 72.32 109.726 175.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.85 15.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.734 -0.666 . . . . 74.12 112.199 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -133.49 148.7 69.85 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.565 -0.531 . . . . 65.55 109.565 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 77' ' ' GLN . 31.6 Cg_exo -62.46 110.13 1.01 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.728 2.285 . . . . 75.21 111.689 177.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.551 ' HD2' HD22 ' A' ' 42' ' ' LEU . 45.2 ttt180 -95.41 134.47 38.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.855 -0.611 . . . . 64.13 110.356 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 tt -121.59 127.52 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.223 0.535 . . . . 74.4 110.676 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.02 127.68 4.66 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.275 -0.73 . . . . 71.14 111.275 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 66' ' ' LYS . 33.8 tp -100.54 121.41 41.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 117.223 0.512 . . . . 74.14 110.654 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -119.8 100.91 7.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.045 -0.525 . . . . 75.32 110.124 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.459 HG23 ' HG ' ' A' ' 49' ' ' LEU . 50.9 t -129.04 127.99 66.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 61.3 110.473 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.76 160.59 19.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.345 -0.389 . . . . 51.12 110.423 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -73.14 -11.15 60.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.335 0.588 . . . . 74.13 110.43 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 35.1 mmtp -81.19 -22.91 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 73.24 110.263 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.66 -55.58 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.707 -0.678 . . . . 63.41 109.63 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 62' ' ' ARG . 61.9 t -109.52 109.73 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.373 -0.83 . . . . 34.24 109.509 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -73.57 2.1 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 71.1 111.854 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' H ' HG12 ' A' ' 56' ' ' VAL . 4.1 mmp_? -123.96 175.05 7.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.912 0.387 . . . . 74.24 110.981 -175.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.69 -46.8 2.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.16 -0.473 . . . . 70.31 110.747 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -67.04 -45.83 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 71.53 110.191 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 19.3 mp0 -59.74 -35.9 75.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.581 -0.736 . . . . 74.35 110.318 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.61 ' HB2' HG11 ' A' ' 56' ' ' VAL . 2.6 ttp180 -70.1 -29.71 66.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 74.21 111.094 -178.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.29 -38.7 84.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.666 -0.243 . . . . 72.3 110.832 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -75.82 -17.96 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.657 -0.247 . . . . 73.44 111.16 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mm -63.89 -43.68 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 71.55 110.515 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HB3' HD22 ' A' ' 49' ' ' LEU . 23.5 pttm -78.79 -17.66 55.39 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.634 -0.426 . . . . 73.22 110.223 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.4 mmp_? -71.75 -41.13 68.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.208 0.528 . . . . 75.14 109.972 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 68' ' ' LEU . 3.1 tm? -66.78 -36.61 82.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 62.31 110.414 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.407 HG21 HG11 ' A' ' 87' ' ' VAL . 4.1 p -86.87 -40.72 14.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.728 0.64 . . . . 72.14 112.728 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -72.28 -36.47 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.786 -0.366 . . . . 73.15 111.03 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -15.64 59.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 71.3 111.683 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.457 ' HB3' HD11 ' A' ' 105' ' ' LEU . 19.3 p -95.26 -45.39 7.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.772 -0.371 . . . . 63.42 111.321 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 20.9 m-85 -59.83 -48.97 79.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.887 0.375 . . . . 72.31 111.193 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -86.94 23.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 72.05 111.509 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.85 -15.42 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.562 0.696 . . . . 71.21 109.513 172.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HD3' ' OE1' ' A' ' 79' ' ' GLU . 12.8 tpp180 -118.99 26.9 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 72.04 109.893 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' HB2' ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -76.59 9.46 2.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.746 -0.661 . . . . 72.31 112.014 -174.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -95.28 -49.47 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.831 -0.433 . . . . 74.52 109.831 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.438 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 29.5 mp0 -84.12 2.22 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 73.13 110.524 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 52.0 tp -117.16 121.95 31.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.784 -0.644 . . . . 51.02 109.951 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 22.3 Cg_exo -65.92 168.24 15.87 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.039 2.493 . . . . 65.45 112.24 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.76 97.97 11.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.123 -0.489 . . . . 74.24 112.133 -173.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 81' ' ' PRO . 4.3 mpp? -133.6 -174.0 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.493 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.793 ' HB2' ' HB3' ' A' ' 40' ' ' ASN . 3.8 t0 -103.71 118.16 36.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.942 -0.762 . . . . 74.51 108.942 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -117.48 109.07 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.003 0.43 . . . . 72.23 111.324 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.643 HG13 ' HB2' ' A' ' 36' ' ' LEU . 4.8 p -95.84 115.68 35.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.668 0.746 . . . . 64.04 109.668 173.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.442 HG22 HG23 ' A' ' 35' ' ' ILE . 44.8 t -98.12 119.38 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.516 -0.766 . . . . 65.32 110.318 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.74 103.95 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.897 -0.592 . . . . 73.31 110.232 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -74.29 132.89 42.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.436 -0.579 . . . . 61.33 109.436 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.623 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -94.48 -171.91 2.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.81 0.338 . . . . 64.11 110.713 -175.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 54' ' ' LYS . 39.2 ttmt -80.4 130.49 35.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.167 -0.469 . . . . 75.01 110.985 -174.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.56 -9.99 55.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.655 -0.783 . . . . 72.23 112.995 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.541 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.8 p -63.59 -24.03 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.94 0.4 . . . . 60.22 111.388 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 1.86 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 71.0 111.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -108.18 17.01 22.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 61.32 110.448 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.54 156.65 29.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 73.4 111.734 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.46 157.93 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.703 -0.68 . . . . 73.1 110.108 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.94 -26.44 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 64.1 110.87 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -90.57 -32.57 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 72.21 110.677 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.39 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.737 -0.665 . . . . 63.21 112.184 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 4.1 pp -64.2 -22.72 67.05 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.584 0.23 . . . . 70.54 111.491 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 t -94.2 -37.98 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 43.42 109.885 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 15.8 mm-40 -62.38 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.472 -0.785 . . . . 60.44 111.28 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.37 -21.66 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 75.03 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 72' ' ' SER . 45.2 tp -65.6 -45.18 84.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.077 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.46 -29.29 68.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 61.5 110.873 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 32.2 mmmt -66.23 -42.4 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 74.44 110.129 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 99.1 mt -59.68 -52.53 65.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.699 . . . . 52.33 110.7 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -57.37 -54.41 47.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.963 0.411 . . . . 72.21 111.459 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -58.71 -47.14 85.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.409 -0.814 . . . . 75.14 111.747 -171.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -77.77 -37.33 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.77 -0.372 . . . . 73.42 111.357 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.5 t-80 -67.95 -28.16 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.628 0.251 . . . . 73.21 110.57 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 42.1 t -68.56 -49.11 61.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.277 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -58.56 -41.2 85.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.911 0.386 . . . . 74.21 110.903 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 26' ' ' GLN . 50.4 tp -62.66 -31.82 72.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 74.1 110.863 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.99 -9.98 57.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 74.43 111.204 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 11.2 mmm180 -94.82 6.17 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.26 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 66.45 40.19 94.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.07 -0.586 . . . . 54.44 111.978 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.255 -0.879 . . . . 72.41 110.236 -178.685 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.805 0.336 . . . . 64.21 110.323 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.4 108.05 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.53 0.681 . . . . 63.4 110.069 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -94.74 72.05 3.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 74.3 110.226 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 56.91 73.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.199 -0.909 . . . . 55.31 111.599 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.1 103.18 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 65.2 110.152 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -99.87 154.4 37.27 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.921 -0.582 . . . . 70.42 110.351 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 18.8 Cg_exo -67.33 164.29 31.16 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.517 2.145 . . . . 71.12 111.922 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -60.02 -33.26 71.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 50.13 111.321 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.57 -34.64 76.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 72.31 111.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -90.53 -9.65 46.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.489 -0.323 . . . . 71.12 111.589 -173.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 59.7 mtt-85 -84.2 80.99 9.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 74.22 111.259 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 108.7 18.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.639 -0.71 . . . . 75.51 109.323 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.856 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -82.32 94.39 7.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.532 0.682 . . . . 74.0 111.002 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 56.2 m -100.25 105.77 38.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.373 -0.831 . . . . 72.24 110.367 176.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 14' ' ' THR . 17.9 Cg_endo -60.98 -26.42 83.15 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.571 2.181 . . . . 72.03 112.491 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -79.9 88.6 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.557 -0.535 . . . . 63.53 109.557 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -59.75 -37.06 77.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 71.32 112.067 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.03 -37.54 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.024 0.44 . . . . 75.22 110.73 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.0 -14.22 61.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 45.33 110.578 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 74.5 t80 -99.22 -49.68 4.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.436 . . . . 54.51 111.022 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 33.4 m -70.48 -23.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.051 0.389 . . . . 75.5 112.051 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -81.61 -9.78 59.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 74.23 111.138 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 78.5 mt-30 -64.25 -65.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 43.43 111.1 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.486 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 49.0 mt-30 -127.42 77.93 75.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.537 -0.301 . . . . 63.1 110.555 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.432 ' HB2' HD12 ' A' ' 36' ' ' LEU . 93.2 Cg_endo -96.27 165.58 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.184 2.589 . . . . 72.42 113.083 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -101.39 125.7 48.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 71.14 110.01 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -72.26 103.7 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.774 -0.648 . . . . 74.35 110.488 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.15 177.06 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.246 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.747 ' HA2' ' HG ' ' A' ' 108' ' ' LEU . . . 78.39 -131.22 10.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.599 -0.81 . . . . 70.3 111.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -132.65 169.53 13.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.29 -0.263 . . . . 74.31 110.29 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_endo -67.78 -6.55 17.12 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.258 1.972 . . . . 60.34 112.118 171.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -92.87 -52.17 4.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 65.31 109.624 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -124.01 103.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.746 -0.661 . . . . 74.43 109.474 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 m -97.41 130.11 44.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 75.52 111.23 -173.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.428 HD11 HD23 ' A' ' 108' ' ' LEU . 65.5 mt -107.69 122.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 71.34 109.971 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -110.54 117.47 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.006 -0.368 . . . . 54.54 110.006 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.678 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -128.57 143.18 14.22 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.075 -1.06 . . . . 70.01 112.831 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.594 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 3.2 mmp_? -132.52 -177.07 4.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.28 -0.267 . . . . 41.22 110.28 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.86 98.4 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 72.54 110.038 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 83' ' ' MET . 24.6 t-20 -78.56 118.04 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.065 -0.516 . . . . 75.02 110.197 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -93.67 1.69 56.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.855 0.359 . . . . 70.35 111.41 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.87 -33.01 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 71.31 110.514 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.65 82.78 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.912 -0.661 . . . . 71.34 112.289 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -149.01 102.67 3.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.849 0.357 . . . . 73.12 110.066 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HB1' ' A' ' 82' ' ' ALA . 90.1 Cg_endo -84.87 158.58 11.83 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.703 2.269 . . . . 71.13 113.572 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -129.41 105.72 8.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.648 -0.871 . . . . 72.11 108.648 171.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.478 HD12 ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -81.61 123.38 37.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.618 0.723 . . . . 51.03 110.576 -173.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.15 154.72 22.07 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.461 -0.791 . . . . 73.44 111.731 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 tp -105.79 117.15 33.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.844 0.354 . . . . 62.21 110.521 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -92.66 95.18 9.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.26 -0.427 . . . . 73.22 109.981 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 89' ' ' ALA . 7.4 p -136.6 129.5 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.905 -0.589 . . . . 72.23 109.427 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.14 163.3 25.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.232 -0.285 . . . . 63.12 110.232 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -43.26 76.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 54.41 111.748 -172.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -103.22 16.33 26.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.182 0.438 . . . . 65.44 112.182 -172.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 10.0 m120 -79.87 -23.7 41.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 75.34 109.874 174.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.0 137.75 21.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 74.02 109.708 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.8 -38.62 46.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.277 0.56 . . . . 74.23 110.059 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.6 mmp_? -114.67 114.58 25.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.183 -0.673 . . . . 74.43 109.183 174.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.65 -58.27 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.661 0.985 . . . . 75.24 113.661 -168.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -65.26 -8.81 19.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.69 0.996 . . . . 72.14 113.69 -171.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -74.61 -6.57 49.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.701 0.63 . . . . 54.34 112.701 -175.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.447 ' HD3' ' H ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -69.34 -27.0 64.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.115 -0.634 . . . . 72.15 109.551 176.02 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.58 -20.66 56.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 71.43 109.915 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -71.64 -52.01 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.635 -0.711 . . . . 72.22 109.435 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.5 -43.14 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.139 -0.937 . . . . 74.15 111.833 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -70.41 -29.21 65.76 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 43.55 111.385 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -76.44 -33.39 58.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 74.41 110.915 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.22 -45.0 78.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.275 0.56 . . . . 72.02 109.835 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.4 p -77.94 -56.99 4.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.74 -0.663 . . . . 71.15 112.43 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.478 ' HG2' HD12 ' A' ' 47' ' ' ILE . 42.4 mtp180 -65.74 -22.3 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.509 0.559 . . . . 73.14 112.509 -170.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -79.88 -44.51 20.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.971 0.415 . . . . 72.32 110.515 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.8 m -60.38 -34.23 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.748 -0.66 . . . . 64.53 111.997 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CD1' HG13 ' A' ' 47' ' ' ILE . 21.7 m-85 -64.3 -23.84 67.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 72.2 111.81 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 74' ' ' ARG . 42.3 mtp180 -106.4 14.67 27.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.366 0.603 . . . . 74.22 110.293 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.49 -49.8 2.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.722 -0.672 . . . . 70.21 109.518 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -97.71 38.07 1.32 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.735 -0.666 . . . . 73.45 109.557 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -14.57 62.69 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.966 0.728 . . . . 63.13 112.966 -168.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -80.33 -27.83 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 74.44 110.794 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' CG ' ' HG3' ' A' ' 76' ' ' ARG . 4.7 mm-40 -87.0 -22.61 25.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.679 -0.691 . . . . 74.53 111.861 -168.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.2 pt? -116.99 152.6 48.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.698 -0.401 . . . . 63.04 110.606 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.16 151.04 60.67 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.612 2.208 . . . . 71.04 111.602 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' ' HD3' ' A' ' 45' ' ' PRO . . . -75.44 78.8 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 63.33 110.936 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.505 ' HA ' ' HB3' ' A' ' 40' ' ' ASN . 65.3 mtt -130.07 153.35 48.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 73.0 109.251 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.2 106.1 17.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.928 0.871 . . . . 41.34 110.805 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.678 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 80.5 m-85 -101.38 100.06 10.49 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.997 -1.002 . . . . 74.43 109.006 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.94 124.68 33.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.465 0.65 . . . . 71.0 110.494 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.1 t -94.38 120.93 44.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.62 -0.718 . . . . 75.33 110.07 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.6 t -113.12 119.95 61.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.431 . . . . 72.23 109.899 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB3' ' HB ' ' A' ' 51' ' ' VAL . . . -92.72 128.06 38.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.124 -0.489 . . . . 62.01 110.579 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.8 mmpt? -91.81 156.31 17.61 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.52 -0.548 . . . . 63.13 109.52 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 14.6 ptmm? -65.06 136.21 56.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 72.25 110.438 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.93 -9.56 40.06 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.617 -0.802 . . . . 72.3 112.257 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.2 -23.52 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.198 0.523 . . . . 64.01 110.812 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.77 9.74 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 61.31 111.357 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.98 13.2 33.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.737 0.779 . . . . 65.43 109.897 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.38 154.5 20.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 71.2 110.664 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.563 ' OD2' ' HB3' ' A' ' 99' ' ' ARG . 5.1 t70 -71.16 143.74 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 75.2 110.209 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.31 -41.01 88.04 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 71.0 111.063 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.563 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 20.7 ttp180 -66.48 -42.54 87.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.181 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -21.97 66.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 73.31 111.995 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.4 mt -60.61 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 73.21 110.651 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.0 t -69.42 -32.43 71.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 55.2 110.148 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.43 -21.38 61.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 43.32 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.02 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.489 . . . . 64.01 110.564 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.11 -45.71 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 70.41 109.989 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 3.1 pt-20 -61.93 -38.33 88.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 65.35 110.671 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.554 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 13.7 mmmm -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.372 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.747 ' HG ' ' HA2' ' A' ' 29' ' ' GLY . 11.0 mp -64.72 -40.01 94.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 74.43 110.552 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.45 -48.82 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.558 -0.292 . . . . 72.41 111.213 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -57.47 -43.81 84.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 73.15 110.374 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.54 -44.32 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.737 -0.665 . . . . 74.34 110.142 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -68.82 -39.75 79.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.475 -0.784 . . . . 73.54 111.672 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.57 -47.46 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.762 0.315 . . . . 65.05 110.84 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -61.45 -39.43 90.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.26 -0.427 . . . . 62.11 110.717 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.33 -36.34 81.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.815 -0.629 . . . . 42.3 110.737 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.0 62.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.396 . . . . 72.04 111.428 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -88.89 1.31 55.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.607 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.59 -68.53 1.61 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.109 -0.567 . . . . 64.14 112.241 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.252 1.185 0 C-N-CA 123.317 0.647 . . . . 53.4 111.684 -178.75 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.703 0.287 . . . . 75.21 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 m -74.09 134.02 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.219 0.533 . . . . 73.41 110.54 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -92.16 115.76 28.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.554 -0.748 . . . . 74.25 109.166 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD21 ' HG ' ' A' ' 39' ' ' LEU . 16.7 tp -81.63 47.06 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.584 0.707 . . . . 71.4 110.525 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.98 142.14 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.857 -1.065 . . . . 72.33 109.053 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -63.78 119.09 51.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 123.237 0.336 . . . . 63.53 111.034 179.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 20.3 Cg_exo -66.22 165.51 24.17 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.859 2.373 . . . . 72.51 112.565 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -68.62 93.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 70.51 109.969 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -160.11 -82.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 63.42 109.896 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.69 -31.07 24.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.32 0.581 . . . . 72.1 109.984 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -126.56 161.88 26.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.704 -0.68 . . . . 74.12 109.81 -177.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' A' ' 12' ' ' LEU . 2.3 pp -101.92 154.48 18.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 72.24 111.227 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.3 mt -99.03 111.21 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.083 0.468 . . . . 73.44 111.372 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p -126.16 129.42 24.23 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.77 -0.65 . . . . 74.21 109.79 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.48 34.81 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.141 2.56 . . . . 65.14 113.111 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -92.38 106.72 18.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.097 -0.335 . . . . 72.32 110.097 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 21.0 tt0 -52.3 -53.38 44.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.906 -0.588 . . . . 71.12 111.048 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -59.63 -39.67 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.392 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -73.43 -25.69 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.066 0.46 . . . . 53.11 110.972 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -85.82 -39.27 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 72.01 110.934 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 25' ' ' PRO . 9.8 p -76.62 -27.12 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 61.52 110.917 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.29 -23.93 67.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 74.02 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -67.15 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.913 -0.585 . . . . 62.35 111.262 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -144.47 90.18 6.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.592 -0.276 . . . . 63.04 111.199 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.485 ' HB3' HG22 ' A' ' 21' ' ' VAL . 59.7 Cg_endo -95.98 165.42 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.061 2.507 . . . . 72.14 111.913 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 4.1 pt20 -86.05 106.8 17.46 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.235 -0.654 . . . . 64.25 109.235 173.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -81.76 90.76 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.512 . . . . 71.03 109.774 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB1' ' HG3' ' A' ' 111' ' ' ARG . . . -130.08 106.64 8.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.822 -0.626 . . . . 71.24 110.094 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.0 -160.9 32.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.846 -0.902 . . . . 55.41 110.846 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.9 p -108.62 167.49 9.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.863 0.332 . . . . 54.51 110.171 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 14.7 Cg_exo -69.99 -9.81 26.91 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.636 2.224 . . . . 74.0 111.852 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -89.33 -48.8 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 73.05 109.726 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.63 102.91 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.686 0.755 . . . . 64.4 109.724 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -99.28 110.06 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.541 -0.754 . . . . 63.02 110.926 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.404 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 49.8 mt -92.48 109.62 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 75.15 110.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.93 107.17 16.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.367 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -121.26 150.38 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.43 -0.89 . . . . 71.13 112.491 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -144.07 130.59 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.035 0.445 . . . . 70.33 110.415 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.74 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.2 pt? -72.87 135.59 45.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 62.43 110.77 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -140.21 161.82 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.301 -0.629 . . . . 74.32 109.301 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -60.31 -29.84 69.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.727 0.269 . . . . 63.32 111.727 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.4 -65.01 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.737 -0.468 . . . . 74.31 109.737 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 83' ' ' MET . . . 59.73 54.58 36.39 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.574 -0.739 . . . . 43.15 113.205 174.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.418 ' HB3' HH21 ' A' ' 46' ' ' ARG . 2.5 m-70 -125.13 83.49 60.55 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.007 -0.738 . . . . 74.2 109.007 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.616 ' HG3' HE22 ' A' ' 77' ' ' GLN . 1.3 Cg_endo -41.59 95.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.724 3.616 . . . . 72.21 114.781 -166.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' HB3' HE22 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -94.1 86.27 4.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.169 -1.048 . . . . 75.54 108.169 172.274 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 tt -59.64 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.845 0.831 . . . . 64.23 111.434 -174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.07 74.71 1.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.491 -0.777 . . . . 62.22 112.488 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 66' ' ' LYS . 66.9 tp -76.22 115.56 16.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.925 0.393 . . . . 64.41 110.052 177.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.079 -0.509 . . . . 71.02 110.484 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.45 139.23 32.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.887 -0.597 . . . . 55.13 110.162 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.68 -173.84 3.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.397 -0.365 . . . . 74.33 110.264 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -95.43 1.14 54.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.008 0.433 . . . . 74.1 110.854 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -91.49 -20.68 21.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.331 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.8 p-10 -110.18 -29.43 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.895 -0.593 . . . . 71.34 110.009 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.5 t -126.3 94.07 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.802 -0.635 . . . . 64.42 109.698 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -85.97 38.88 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.651 0.738 . . . . 75.22 109.614 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.654 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 21.9 mmt180 -137.75 134.04 34.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 72.2 111.007 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -50.77 16.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 70.14 111.548 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -49.87 51.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.369 0.604 . . . . 73.21 110.045 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.654 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 16.0 mp0 -59.03 -35.13 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.933 -1.03 . . . . 72.54 111.263 -175.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 62' ' ' ARG . 11.8 ttm180 -59.55 -45.73 90.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.221 0.534 . . . . 74.51 110.167 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -70.59 -32.3 69.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.612 -0.722 . . . . 75.33 111.184 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' NH2' ' HA ' ' A' ' 97' ' ' ASP . 25.8 mtm180 -60.87 -41.61 96.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.727 0.299 . . . . 72.41 110.259 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.9 mm -65.15 -43.12 95.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 74.3 110.383 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.554 ' HG2' HD23 ' A' ' 49' ' ' LEU . 58.7 mtpt -65.16 -40.55 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 64.03 110.887 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.25 -50.1 64.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 111.241 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 101' ' ' LEU . 3.2 tm? -56.57 -48.8 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.083 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 p -68.91 -54.17 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.487 -0.324 . . . . 72.02 111.241 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -59.61 -31.69 69.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.518 . . . . 72.22 111.859 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -81.14 -21.95 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.8 0.333 . . . . 75.54 111.294 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 m -98.68 -44.68 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.009 0.374 . . . . 61.22 112.009 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.404 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 40.6 m-85 -59.84 -37.34 78.98 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.872 0.368 . . . . 73.44 111.643 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -71.45 -32.54 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.004 0.43 . . . . 73.44 111.41 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.9 1.82 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.459 0.54 . . . . 71.12 112.459 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.457 HH21 ' CD ' ' A' ' 79' ' ' GLU . 23.7 mmm180 -114.15 21.75 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.512 -0.551 . . . . 70.44 109.512 176.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.616 HE22 ' HG3' ' A' ' 45' ' ' PRO . 7.4 tp60 -61.95 -21.18 64.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.174 -0.921 . . . . 73.42 112.171 -175.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.36 -45.31 32.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.847 0.356 . . . . 61.1 111.126 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' CD ' HH21 ' A' ' 76' ' ' ARG . 13.4 pt-20 -89.09 -33.97 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 64.11 110.885 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 81' ' ' PRO . 46.3 tp -95.21 111.2 54.12 Favored Pre-proline 0 N--CA 1.448 -0.532 0 N-CA-C 109.011 -0.737 . . . . 52.24 109.011 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 80' ' ' LEU . 10.0 Cg_endo -52.64 137.53 58.78 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.081 2.521 . . . . 75.23 112.412 -176.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.81 104.84 0.21 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.787 -0.642 . . . . 53.32 110.668 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.498 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 26.0 ptt? -147.89 168.62 21.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 52.33 109.431 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.566 ' HB3' ' HG3' ' A' ' 17' ' ' GLN . 3.3 m-20 -96.67 141.53 29.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.01 0.433 . . . . 64.13 110.527 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.06 148.41 26.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 72.1 111.64 -173.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.89 133.69 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 71.51 109.439 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 t -110.52 108.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.86 -0.422 . . . . 73.12 109.86 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.34 104.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.691 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -94.53 125.85 39.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.28 -0.637 . . . . 73.3 109.28 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 31' ' ' PRO . 85.7 mttt -101.98 -161.92 0.89 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.387 . . . . 70.13 111.635 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -78.85 113.28 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.84 -173.684 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 -10.68 8.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.621 -0.799 . . . . 72.23 112.791 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.9 p -61.5 -22.69 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.087 0.47 . . . . 71.1 111.593 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.9 -6.47 49.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 63.31 111.463 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.81 -16.02 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 72.25 110.469 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.32 114.29 14.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 75.03 110.215 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' HA ' ' NH2' ' A' ' 64' ' ' ARG . 53.4 m-20 -97.13 -169.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.063 -0.517 . . . . 73.34 111.14 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -47.45 -46.4 26.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.661 0.785 . . . . 64.03 113.093 -172.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -84.95 -37.5 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 75.23 110.602 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.12 98.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.722 -0.672 . . . . 64.21 111.415 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -67.69 -19.89 65.22 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.639 -0.255 . . . . 70.32 111.485 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 m -80.9 -42.93 20.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 72.22 110.289 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.98 -23.08 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.959 -0.564 . . . . 72.23 111.063 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.25 -30.28 30.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.382 . . . . 64.55 110.687 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 108' ' ' LEU . 3.2 tm? -63.49 -47.83 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.761 -0.654 . . . . 72.44 110.298 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -26.36 66.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.507 -177.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -68.45 -60.12 2.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.187 0.517 . . . . 64.31 110.109 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 105' ' ' LEU . 4.2 pp -67.95 -29.67 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 70.42 110.86 -176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -59.83 -60.52 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.51 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -68.3 -25.75 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.563 -0.289 . . . . 75.12 111.552 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HG3' ' HB1' ' A' ' 28' ' ' ALA . 21.2 tpp180 -62.76 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 74.41 110.465 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -85.43 -34.7 21.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 64.42 110.685 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 39.3 t -62.82 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 71.44 110.989 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 114' ' ' ARG . 15.5 mmt180 -98.59 17.05 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 71.41 111.245 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 54.1 tp -117.81 -32.2 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.214 0.531 . . . . 71.31 110.128 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.21 -2.86 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 61.54 111.72 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -95.86 -1.65 49.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 70.2 110.423 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.39 70.43 0.52 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.08 -0.581 . . . . 43.15 111.795 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.76 -0.638 . . . . 74.23 110.587 -178.103 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.08 -0.341 . . . . 63.02 110.08 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.84 115.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.495 -0.321 . . . . 74.5 111.0 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -75.94 74.47 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 53.24 110.452 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tt -168.01 -69.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.263 -1.014 . . . . 72.12 108.263 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 179.12 94.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.519 -1.219 . . . . 33.11 108.563 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.468 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 27.9 p90 -84.06 115.38 59.76 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.23 0.538 . . . . 72.41 110.625 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 42.2 Cg_endo -68.57 -1.46 7.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.953 2.435 . . . . 63.34 112.503 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.65 -26.7 68.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 63.31 110.939 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.529 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 10.3 pt-20 -65.78 -25.7 67.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.961 0.41 . . . . 73.12 110.866 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' HG ' ' HG3' ' A' ' 9' ' ' GLU . 86.6 mt -108.8 9.2 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 55.54 110.132 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER 61.52 30.12 18.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.648 -0.705 . . . . 74.33 110.479 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 7' ' ' PRO . 87.2 mt -102.23 157.14 17.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 74.02 110.579 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 7.8 mp -117.02 -167.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 73.13 109.782 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -86.77 109.62 25.74 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-O 120.584 0.23 . . . . 60.34 110.451 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 13' ' ' LEU . 96.2 Cg_endo -84.23 -161.37 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.797 2.331 . . . . 75.4 111.627 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -66.09 116.72 7.49 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.848 -0.427 . . . . 74.24 109.848 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -56.01 -37.53 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 73.21 112.041 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.05 -45.46 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 71.43 110.371 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -69.63 -23.39 63.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.095 0.474 . . . . 64.35 110.618 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -78.17 -46.24 21.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.605 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 38' ' ' ARG . 31.4 m -75.18 -24.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 53.22 111.286 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -73.78 -15.53 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.429 -0.35 . . . . 74.01 110.986 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.62 -54.45 46.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 74.31 110.206 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -163.13 96.13 1.08 Allowed Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.825 -0.625 . . . . 74.11 109.609 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.488 ' HG2' HD22 ' A' ' 36' ' ' LEU . 87.8 Cg_endo -94.71 178.42 0.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.339 2.692 . . . . 53.33 112.556 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -91.95 98.52 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.983 -0.553 . . . . 62.53 109.591 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -74.48 102.71 4.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.689 -0.486 . . . . 73.43 109.689 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.64 110.3 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.474 -0.33 . . . . 51.52 110.786 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.05 -170.43 30.77 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.233 -0.747 . . . . 72.13 111.233 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 44.5 p -92.96 171.58 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 117.151 0.475 . . . . 42.22 110.245 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 47.0 Cg_exo -57.95 -45.11 34.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.585 2.19 . . . . 71.4 112.564 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -60.26 -48.51 81.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.468 -0.333 . . . . 70.01 111.297 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tt -114.13 98.68 7.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.895 0.855 . . . . 74.12 110.457 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -98.53 97.47 8.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 72.25 111.017 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' H ' HD12 ' A' ' 35' ' ' ILE . 4.8 mp -83.36 116.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.762 -0.458 . . . . 64.01 109.762 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 25' ' ' PRO . 90.4 mt -114.65 133.6 55.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.297 -0.41 . . . . 62.25 110.59 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.18 145.59 12.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.856 -0.688 . . . . 61.54 111.81 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HB3' HG12 ' A' ' 21' ' ' VAL . 35.8 ttt85 -142.09 139.6 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.599 -0.519 . . . . 74.33 109.599 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.56 111.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.033 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -142.95 168.43 19.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.35 -0.841 . . . . 74.32 109.044 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -70.9 84.97 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 75.43 110.156 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' ' 83' ' ' MET . 82.3 mt -122.08 -65.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.958 -0.564 . . . . 71.3 109.845 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.15 30.12 74.84 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.941 -0.572 . . . . 63.2 113.178 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 38.3 m80 -134.36 121.37 15.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.949 -0.389 . . . . 75.32 109.949 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 6.8 Cg_exo -72.48 97.44 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.789 2.326 . . . . 55.15 111.381 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -146.09 133.26 20.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.071 -0.513 . . . . 72.45 110.417 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 tt -84.99 117.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.268 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.69 54.26 4.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.06 -0.59 . . . . 72.41 111.912 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.559 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 63.5 tp -62.28 112.95 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.995 0.426 . . . . 40.12 110.68 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -108.81 91.31 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.348 0.594 . . . . 72.44 110.293 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.439 ' HA ' ' ND2' ' A' ' 55' ' ' ASN . 3.1 p -111.08 102.46 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 74.42 110.074 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 174.23 7.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 61.03 111.403 -175.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -57.25 -28.45 62.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.567 -0.742 . . . . 72.21 111.951 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -94.24 2.59 55.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 64.52 111.543 -175.325 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.468 HD22 ' HB3' ' A' ' 89' ' ' ALA . 3.8 m-20 -84.85 -48.23 9.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.297 0.57 . . . . 63.24 109.627 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 62' ' ' ARG . 38.8 t -132.47 116.82 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.526 -0.761 . . . . 75.32 109.679 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.99 -35.74 81.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 65.52 110.557 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.09 113.31 9.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.508 . . . . 70.32 109.933 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -63.87 -32.86 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.041 0.448 . . . . 62.24 111.228 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -66.87 -37.46 84.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.156 0.503 . . . . 71.31 110.601 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.51 -18.66 32.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 75.43 112.015 -172.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 5.8 ptp180 -73.47 -13.97 61.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.275 0.56 . . . . 75.4 109.733 175.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.79 -27.44 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 60.22 109.366 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -59.15 -43.93 92.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.324 -0.853 . . . . 75.52 110.813 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.91 -33.76 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 115.943 -0.571 . . . . 62.54 110.837 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 59.8 mttp -66.89 -45.72 77.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.017 -0.538 . . . . 64.14 110.748 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -70.04 -19.68 63.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 74.33 111.374 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 101' ' ' LEU . 3.0 tm? -85.13 -58.51 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 73.34 110.541 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -67.63 -31.3 71.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.454 . . . . 74.01 112.021 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -71.83 -18.16 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.994 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.57 -37.34 79.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 74.12 110.937 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.437 ' OG ' HD11 ' A' ' 105' ' ' LEU . 4.3 m -79.0 -58.88 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.59 . . . . 64.12 111.895 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -62.36 -27.58 69.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.24 0.459 . . . . 73.14 112.24 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 74' ' ' ARG . 20.6 ttt180 -76.56 -25.83 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.371 . . . . 74.21 111.285 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 75' ' ' LEU . 2.0 tm? -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 63.4 110.331 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -95.67 44.53 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.337 0.589 . . . . 74.11 110.002 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -81.27 -4.79 56.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.878 0.696 . . . . 71.0 112.878 -168.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -110.2 -18.02 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.594 0.59 . . . . 74.32 112.594 -177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' HA ' HH21 ' A' ' 117' ' ' ARG . 41.9 tt0 -72.7 -44.73 61.38 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.653 -0.419 . . . . 74.24 110.073 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.2 pp -92.68 154.86 42.28 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 62.3 110.376 178.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 17.4 Cg_exo -67.68 147.61 76.21 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.801 2.334 . . . . 70.03 112.397 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.05 95.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 70.41 111.054 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.463 ' HG3' HD12 ' A' ' 42' ' ' LEU . 41.4 ttm -147.2 154.88 41.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 71.01 109.843 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.48 92.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.866 -0.42 . . . . 72.11 109.866 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -74.97 94.71 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.619 -0.511 . . . . 73.45 109.619 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -72.19 101.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.261 0.553 . . . . 74.13 110.452 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 58.0 t -86.86 98.0 6.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.663 -0.699 . . . . 73.53 110.1 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.1 t -88.27 102.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.754 -0.657 . . . . 73.21 109.807 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB3' HD22 ' A' ' 55' ' ' ASN . . . -84.36 149.34 26.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.836 -0.62 . . . . 70.4 110.375 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.629 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -109.53 174.79 5.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.589 -0.523 . . . . 63.14 109.589 175.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -76.35 104.54 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 63.42 108.994 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.75 -5.1 1.09 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.673 -0.775 . . . . 61.14 112.308 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.08 -19.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 71.42 111.482 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.9 3.7 55.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 73.44 110.781 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.11 -16.96 33.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 74.3 110.092 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.01 139.13 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 75.53 111.045 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.58 161.43 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.757 -0.656 . . . . 73.25 110.718 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.08 -43.11 77.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.315 -0.402 . . . . 71.34 111.745 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -82.41 -23.43 34.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 75.33 110.714 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.44 71.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.914 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD13 ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -72.25 -29.42 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.538 -0.301 . . . . 70.4 111.201 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.484 ' N ' HD12 ' A' ' 101' ' ' LEU . 74.5 p -75.63 -25.91 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 63.21 110.15 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -69.6 -52.54 25.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.869 -0.605 . . . . 75.35 109.563 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -59.17 -30.71 68.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.877 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 7.2 tt -54.57 -52.5 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.426 -0.806 . . . . 65.42 110.912 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.554 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.1 OUTLIER -69.08 -26.6 65.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.702 -0.399 . . . . 45.22 111.037 -176.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.554 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.7 mmmt -66.41 -43.35 86.02 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.864 -0.421 . . . . 63.52 109.864 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -78.24 -29.68 48.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 70.31 110.525 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -62.26 -56.62 16.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.265 . . . . 74.12 110.539 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.3 -30.96 70.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.075 0.464 . . . . 72.32 110.579 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -66.08 -43.83 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.818 -0.628 . . . . 74.05 110.326 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.78 -40.8 83.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.482 -0.326 . . . . 74.0 110.798 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.7 -48.92 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.469 0.481 . . . . 65.2 111.395 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.52 -36.28 71.0 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.522 -0.308 . . . . 75.32 111.263 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.12 -47.7 34.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 -0.274 . . . . 72.42 110.717 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.27 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.171 0.51 . . . . 63.13 111.069 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.447 HH21 ' HA ' ' A' ' 79' ' ' GLU . 77.4 mtt180 -95.65 83.93 3.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.503 0.668 . . . . 65.33 109.491 176.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.45 -24.12 0.51 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.031 -0.986 . . . . 70.32 110.904 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.632 -0.699 . . . . 61.12 110.151 175.785 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtm . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.565 0.222 . . . . 72.4 110.435 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.11 95.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.334 0.588 . . . . 71.14 110.295 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.705 ' HE3' ' HA ' ' A' ' 3' ' ' LYS . 1.2 tpmt? -162.22 128.38 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 64.35 110.682 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 39' ' ' LEU . 27.3 tp 76.38 -57.85 0.54 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.952 0.783 . . . . 72.25 111.617 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.03 149.04 26.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.014 0.435 . . . . 74.3 110.947 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.465 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 99.0 m-85 -97.9 165.46 15.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.744 -0.662 . . . . 74.32 109.752 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 6' ' ' PHE . 87.9 Cg_exo -48.16 144.12 13.21 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.746 2.297 . . . . 74.12 113.06 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.793 ' HB3' HD11 ' A' ' 13' ' ' LEU . 62.1 mtt85 -79.15 7.49 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 64.43 110.715 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.44 -18.35 23.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.719 -0.673 . . . . 63.44 110.304 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.98 -61.25 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 60.11 109.874 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -90.24 127.66 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 71.11 110.661 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.45 141.14 58.88 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.227 -0.442 . . . . 70.32 110.17 175.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 8' ' ' ARG . 6.9 mp -79.02 86.63 4.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.335 0.588 . . . . 71.41 109.936 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -133.93 143.07 45.88 Favored Pre-proline 0 C--O 1.241 0.633 0 CA-C-N 115.472 -0.786 . . . . 71.31 110.148 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.63 86.8 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.65 2.234 . . . . 70.01 112.166 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -147.54 121.57 9.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.617 -0.719 . . . . 72.43 109.945 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' VAL . 79.5 mt-30 -66.28 -47.84 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.692 0.62 . . . . 64.11 111.026 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.63 -43.92 76.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 64.14 110.856 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.09 12.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.763 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 52.3 t80 -130.36 -47.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.079 -0.388 . . . . 63.41 111.09 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 17' ' ' GLN . 36.0 m -79.95 -23.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.674 0.273 . . . . 74.21 111.617 -177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -79.14 -7.43 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 73.42 110.667 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 73.9 mt-30 -60.77 -44.53 96.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 54.44 109.91 175.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.85 81.52 14.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 73.34 109.446 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HB2' HD22 ' A' ' 36' ' ' LEU . 52.0 Cg_endo -88.9 110.55 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.656 2.237 . . . . 65.22 112.439 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 140.87 41.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.015 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -79.54 97.57 6.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 65.42 111.201 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.81 145.44 48.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 74.51 110.595 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.14 169.74 43.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.944 -0.645 . . . . 73.35 112.691 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -60.43 141.75 91.24 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.527 0.331 . . . . 74.11 110.331 178.315 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 30' ' ' THR . 51.0 Cg_exo -54.73 -31.6 72.31 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.789 2.326 . . . . 54.24 112.839 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -66.85 -20.26 65.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 72.14 111.381 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 tt -140.63 93.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.995 0.903 . . . . 74.42 109.436 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 m -86.43 102.22 13.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.534 -0.757 . . . . 73.34 111.588 -171.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.5 HG13 HG13 ' A' ' 87' ' ' VAL . 4.5 mp -79.7 101.55 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.373 -0.602 . . . . 75.43 109.373 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.741 ' HB2' HG13 ' A' ' 86' ' ' VAL . 98.7 mt -82.17 102.85 11.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.383 -0.599 . . . . 74.52 109.383 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.22 144.69 15.8 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.488 -0.863 . . . . 54.4 112.893 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -150.55 138.9 20.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.926 -0.768 . . . . 75.44 108.926 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.6 pt? -61.9 130.25 44.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.883 0.373 . . . . 75.25 110.111 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -134.32 -174.42 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 54.11 110.345 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -107.6 15.08 25.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.89 0.376 . . . . 74.13 110.946 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.26 -59.64 2.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 73.43 110.054 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.93 61.91 5.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.211 -0.519 . . . . 74.11 113.149 174.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' HB3' ' A' ' 84' ' ' ASP . 33.7 m80 -137.11 140.78 32.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 122.672 -0.31 . . . . 74.45 110.589 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 10.8 Cg_exo -72.9 40.59 0.5 Allowed 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 123.177 2.585 . . . . 73.13 112.91 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -90.9 86.66 6.36 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.576 -0.527 . . . . 65.24 109.576 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.56 HD11 ' HB ' ' A' ' 69' ' ' THR . 4.2 tt -71.85 116.71 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.383 -0.826 . . . . 74.44 111.098 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.69 109.99 3.73 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.677 -0.773 . . . . 65.3 112.044 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HG ' HG23 ' A' ' 51' ' ' VAL . 58.1 tp -99.96 130.86 46.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.833 0.349 . . . . 71.42 110.578 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.411 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 24.8 m -110.52 106.92 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 62.51 110.898 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG23 ' HG ' ' A' ' 49' ' ' LEU . 95.6 t -133.45 124.79 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.481 -0.563 . . . . 70.31 109.481 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.509 ' H ' ' HB2' ' A' ' 55' ' ' ASN . . . -131.89 -170.97 2.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.639 -0.255 . . . . 72.14 111.346 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -55.24 -49.77 71.17 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.922 0.764 . . . . 73.23 112.278 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -84.55 -5.86 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.898 -0.321 . . . . 50.15 111.22 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.509 ' HB2' ' H ' ' A' ' 52' ' ' ALA . 1.6 m-20 -84.95 -57.55 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.294 -0.632 . . . . 53.12 109.294 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.687 ' HB ' ' HG2' ' A' ' 62' ' ' ARG . 42.6 t -133.88 116.99 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.923 -0.769 . . . . 74.12 108.923 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -82.49 -25.67 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.255 -0.429 . . . . 75.41 111.908 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.1 136.66 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.393 . . . . 72.31 111.052 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.06 89.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.715 -0.675 . . . . 62.53 112.736 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -60.3 -35.18 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 74.4 111.217 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' ILE . 10.6 mm-40 -76.36 -26.21 55.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.904 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.687 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 20.5 mtm180 -65.69 -38.66 89.87 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.141 -0.688 . . . . 72.12 109.141 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.4 -30.84 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.281 -0.872 . . . . 73.23 110.48 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -66.68 -36.07 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.42 109.908 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.3 mm -67.4 -31.82 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.262 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HG2' HD23 ' A' ' 49' ' ' LEU . 94.1 mttt -67.1 -12.46 60.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 71.32 111.041 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 60.9 mtp180 -96.12 -46.22 6.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.347 . . . . 71.22 110.461 175.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.56 -44.71 13.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.65 0.594 . . . . 62.41 110.917 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.56 ' HB ' HD11 ' A' ' 47' ' ' ILE . 18.8 p -85.33 -58.18 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.958 -0.564 . . . . 72.15 111.934 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -62.66 -26.84 68.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 74.03 112.583 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 2.1 tp10 -74.4 -37.63 63.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 71.33 110.284 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 p -91.78 -45.63 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.338 0.495 . . . . 61.3 112.338 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -57.78 -36.54 72.31 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 71' ' ' GLU . 17.8 ptt-85 -82.0 -23.26 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.795 -0.362 . . . . 73.43 111.034 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.59 4.34 53.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.333 0.587 . . . . 74.12 110.848 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.509 ' HD3' ' CD1' ' A' ' 109' ' ' TRP . 94.2 mtt180 -126.4 26.59 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.985 -0.552 . . . . 60.34 109.971 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -59.49 -26.51 65.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.35 0.87 . . . . 71.24 113.35 -172.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -91.48 1.02 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.23 0.538 . . . . 75.13 110.911 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG2' ' HZ2' ' A' ' 109' ' ' TRP . 7.4 tp10 -132.31 27.72 4.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.515 -0.92 . . . . 71.44 108.515 176.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.42 124.81 15.13 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.806 -1.088 . . . . 65.14 109.923 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.19 121.36 9.87 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.101 1.867 . . . . 72.45 110.727 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' HE3' ' A' ' 83' ' ' MET . . . -68.41 83.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 72.22 111.296 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 1.6 mmt -140.76 150.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.654 -0.869 . . . . 74.43 108.654 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.525 ' HB3' ' O ' ' A' ' 44' ' ' HIS . 5.4 p-10 -93.54 134.06 36.2 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.951 0.405 . . . . 74.42 110.333 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 83' ' ' MET . 30.3 m-85 -126.98 163.9 22.67 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.942 -0.572 . . . . 61.01 110.918 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.741 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.0 p -114.42 112.56 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.543 0.687 . . . . 72.01 109.564 173.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.5 HG13 HG13 ' A' ' 35' ' ' ILE . 40.6 t -96.8 112.62 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.825 -175.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' HA ' ' HB ' ' A' ' 50' ' ' THR . 39.5 t -100.57 103.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.999 0.428 . . . . 74.23 110.345 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 125.32 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 73.41 109.781 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.7 mmmm -100.19 169.22 9.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.79 0.329 . . . . 65.0 110.579 -175.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.37 110.76 4.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.381 0.61 . . . . 74.22 109.779 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.522 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 149.66 -43.75 0.75 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.765 -0.934 . . . . 45.22 110.765 -176.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 90' ' ' LYS . 13.5 p -66.75 -21.56 28.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.515 0.674 . . . . 62.11 110.31 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -17.95 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.67 -0.696 . . . . 62.43 110.728 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.37 75.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.619 . . . . 74.31 110.291 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 85.5 mt -142.23 158.73 43.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 71.55 109.647 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.9 149.72 46.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 75.2 110.346 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -61.25 -32.6 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.713 0.768 . . . . 73.33 109.161 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -63.6 -36.21 83.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.614 -1.175 . . . . 73.14 110.417 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.21 52.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 50.31 111.1 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 91.0 mt -60.37 -38.2 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 74.22 110.045 176.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 t -64.97 -37.15 86.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.84 -0.618 . . . . 62.32 110.328 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 26.1 mm-40 -66.78 -45.77 77.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 34.14 110.609 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.13 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.942 -0.572 . . . . 64.24 111.748 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 101' ' ' LEU . 93.8 mt -59.02 -38.98 80.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.16 -0.473 . . . . 61.12 112.098 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.44 -26.28 23.35 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.755 -0.378 . . . . 73.51 111.653 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 31.1 mmmt -61.89 -40.5 95.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 74.23 110.884 -176.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -84.37 5.51 26.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 75.31 111.351 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.509 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 28.0 t90 -114.44 -47.02 2.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.248 -0.433 . . . . 74.21 111.272 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -57.71 -56.7 18.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.76 0.314 . . . . 72.12 110.481 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -59.56 -27.95 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 71.32 110.715 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -70.2 -55.22 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.438 . . . . 73.52 111.107 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.18 -40.18 62.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 71.45 110.724 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -60.66 -39.73 89.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.473 -0.33 . . . . 75.23 110.886 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.9 -42.49 90.13 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.771 0.32 . . . . 44.42 110.198 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 24.24 111.338 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -80.48 -35.37 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 62.34 111.468 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 155.99 108.6 0.29 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.236 -0.983 . . . . 60.34 113.04 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 C--O 1.248 1.001 0 N-CA-C 109.181 -0.674 . . . . 63.42 109.181 174.317 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.271 -0.27 . . . . 74.45 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.92 126.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.497 . . . . 53.55 110.555 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' HG3' ' H ' ' A' ' 4' ' ' LEU . 11.4 tppt? -160.35 -179.46 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.274 -0.639 . . . . 64.44 109.274 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.558 ' H ' ' HG3' ' A' ' 3' ' ' LYS . 1.3 tm? -79.97 118.46 21.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.811 -0.44 . . . . 71.42 109.811 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.21 126.74 38.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 63.34 110.221 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -148.97 152.67 37.16 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 53.25 110.86 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.0 143.79 81.52 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.782 2.322 . . . . 60.14 111.48 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.3 mmt-85 -74.52 -13.08 60.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.612 -0.267 . . . . 75.23 111.58 -173.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -80.54 11.02 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 61.42 110.962 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 10' ' ' LEU . 1.1 tm? -64.84 -15.28 61.63 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.387 0.613 . . . . 64.4 109.785 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -61.63 -24.81 66.96 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.667 -0.697 . . . . 72.3 110.874 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -99.14 103.48 15.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.611 -0.515 . . . . 73.15 109.611 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.01 110.95 21.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 75.34 110.251 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.1 p -87.63 135.11 34.48 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.396 -0.365 . . . . 71.41 110.834 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.6 Cg_exo -58.26 -38.86 89.07 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.758 2.305 . . . . 65.03 111.851 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -81.15 101.47 9.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 65.22 109.779 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.98 -20.58 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 75.31 111.385 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.35 -33.3 70.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 70.04 110.282 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -91.48 -26.37 18.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.255 0.55 . . . . 71.32 110.28 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -20.1 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 73.24 110.885 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG12 ' NE ' ' A' ' 38' ' ' ARG . 30.7 m -95.04 -7.85 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 74.53 110.893 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -85.43 9.3 16.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 72.25 111.406 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 12.8 mm-40 -75.98 -54.59 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 65.43 110.463 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -156.46 88.8 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.16 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -86.77 131.14 3.24 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.936 2.424 . . . . 73.41 111.757 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 13.5 pt20 -82.53 128.57 34.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 72.33 110.158 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.2 106.24 3.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.622 -0.717 . . . . 72.12 110.659 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.19 66.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 31.42 111.001 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.15 -159.7 9.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.919 -0.658 . . . . 33.41 112.077 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.1 p -120.68 166.81 14.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 110.11 -0.33 . . . . 74.32 110.11 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.2 -22.64 53.55 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.568 2.179 . . . . 74.12 112.204 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -86.64 -38.61 16.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 71.01 110.313 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 tt -148.14 118.24 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.338 0.589 . . . . 73.05 109.954 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -106.26 119.47 39.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 75.41 111.53 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG13 HG13 ' A' ' 87' ' ' VAL . 4.1 mp -95.02 104.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.571 -0.529 . . . . 53.3 109.571 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 86' ' ' VAL . 97.0 mt -92.65 132.05 37.22 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.705 -0.479 . . . . 74.03 109.705 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.53 161.11 22.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.009 -1.091 . . . . 73.43 112.483 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NE ' HG12 ' A' ' 21' ' ' VAL . 23.1 ptt180 -129.44 151.58 49.92 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.846 -0.427 . . . . 71.24 109.846 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HB3' HD21 ' A' ' 4' ' ' LEU . 3.3 mm? -74.57 100.93 4.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 63.04 110.588 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -133.18 86.05 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.148 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 m -83.68 36.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 73.22 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.25 7.23 40.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 62.14 110.29 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.82 55.39 11.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.25 -0.5 . . . . 62.51 113.022 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -120.16 90.85 45.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 122.62 -0.341 . . . . 75.45 110.732 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.28 96.44 0.47 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.655 2.236 . . . . 70.31 111.877 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.596 ' HB3' ' HA ' ' A' ' 84' ' ' ASP . 10.9 tpp180 -115.33 112.66 22.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.885 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.6 tt -93.6 80.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 122.096 0.951 . . . . 71.14 108.775 171.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.89 70.35 3.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.288 -0.869 . . . . 74.03 112.316 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.634 ' HG ' HG23 ' A' ' 51' ' ' VAL . 32.3 tp -65.31 119.72 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.954 0.407 . . . . 74.53 110.232 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -109.83 84.43 1.92 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.276 0.56 . . . . 72.25 110.216 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.634 HG23 ' HG ' ' A' ' 49' ' ' LEU . 86.6 t -113.62 91.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.311 0.577 . . . . 73.41 109.821 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.14 140.41 47.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.568 -0.742 . . . . 64.13 110.026 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -73.85 55.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.846 0.831 . . . . 54.34 111.647 -179.752 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -150.46 -26.95 0.23 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.829 -1.078 . . . . 73.43 109.726 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -85.14 -30.76 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.799 -0.637 . . . . 74.3 109.693 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -100.02 111.34 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 71.33 108.981 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.98 -42.75 69.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 75.33 111.716 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.631 ' HB3' ' HG2' ' A' ' 61' ' ' GLU . 2.3 tpm_? -94.91 116.04 28.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.244 -0.651 . . . . 75.31 109.244 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -57.81 -40.46 80.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.098 0.777 . . . . 70.34 113.098 -170.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.49 -16.15 63.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.914 0.339 . . . . 75.42 111.914 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.631 ' HG2' ' HB3' ' A' ' 58' ' ' ARG . 12.1 mm-40 -83.01 -17.18 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.915 0.339 . . . . 72.22 111.915 -171.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 27.0 ptt180 -69.91 -14.57 62.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.79 0.329 . . . . 71.41 111.728 -175.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -67.23 -27.55 67.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.408 -0.36 . . . . 75.2 111.782 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 3.9 mpt_? -76.91 -26.55 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 63.42 110.756 -176.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.66 -43.0 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.581 . . . . 71.21 110.67 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.639 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 42.9 pttt -73.57 -30.64 63.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 60.43 110.758 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -69.11 -48.02 63.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 65.01 110.709 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.64 -48.38 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 74.33 110.12 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 p -69.17 -38.41 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.086 -0.506 . . . . 74.14 111.328 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.639 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.9 -52.95 62.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 72.34 110.622 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.04 -32.13 72.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.495 -0.321 . . . . 75.5 111.081 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -71.71 -38.04 70.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 74.11 110.627 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -59.77 -41.99 92.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.108 0.48 . . . . 71.35 110.421 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 5.2 ptm180 -88.33 9.81 21.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 75.35 111.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.7 tp -100.35 -29.83 12.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.741 0.305 . . . . 71.13 111.06 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.626 ' NH2' ' HA ' ' A' ' 113' ' ' CYS . 29.3 ttt180 -113.03 21.97 14.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.143 0.423 . . . . 74.53 112.143 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -12.75 47.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.646 -0.659 . . . . 54.33 111.831 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -85.3 -12.87 51.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.964 0.411 . . . . 54.41 110.48 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.06 9.22 3.0 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.156 0.503 . . . . 45.52 110.571 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.529 HD12 ' HD2' ' A' ' 81' ' ' PRO . 34.2 tp -128.75 125.84 23.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 71.3 111.281 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' A' ' 80' ' ' LEU . 2.7 Cg_exo -76.33 110.37 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.76 2.307 . . . . 74.43 110.667 169.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 108.5 2.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 74.32 111.291 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.7 mtm -125.39 -166.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.916 -0.584 . . . . 72.55 110.585 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.596 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 11.6 t70 -93.35 116.42 28.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.575 -0.739 . . . . 64.14 110.092 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -133.24 140.72 47.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 74.22 110.666 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 36' ' ' LEU . 15.5 m -113.99 120.84 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.367 0.604 . . . . 75.02 110.1 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.525 HG13 HG13 ' A' ' 35' ' ' ILE . 37.2 t -98.01 102.51 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.841 -0.618 . . . . 72.01 110.758 -174.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.17 111.18 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 70.24 110.506 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -88.75 135.45 33.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.869 -0.605 . . . . 43.53 110.966 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.27 172.45 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.262 -0.426 . . . . 64.32 110.406 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 44.6 mtpt -65.04 130.89 45.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.032 0.444 . . . . 73.3 110.789 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.92 -6.43 47.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.696 -0.764 . . . . 63.54 112.347 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.546 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.5 p -60.43 -26.98 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.939 0.4 . . . . 71.32 111.519 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.41 -13.7 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.49 . . . . 75.41 111.136 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.18 56.58 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.872 0.844 . . . . 73.22 109.661 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 2.7 pp -96.84 169.48 9.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.074 -0.967 . . . . 71.31 111.211 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.28 149.65 43.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.739 -0.664 . . . . 72.31 109.516 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -60.59 -33.18 72.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.817 0.342 . . . . 74.55 111.6 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 22.6 ttm180 -80.13 -45.9 17.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.625 -0.509 . . . . 74.32 109.625 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.22 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 74.1 112.53 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 102' ' ' SER . 4.6 pp -64.12 -27.22 68.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.689 0.281 . . . . 74.45 111.202 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 101' ' ' LEU . 14.6 t -80.43 -29.91 37.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.104 0.478 . . . . 73.53 109.815 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 35.7 mt-10 -74.07 -36.62 64.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 73.55 110.087 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.703 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -80.19 -20.73 44.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 74.03 111.053 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.71 -43.19 94.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 62.04 110.385 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.466 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -72.12 -18.74 61.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.33 110.94 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.703 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.2 mmmt -68.26 -46.59 70.04 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.383 -0.599 . . . . 63.33 109.383 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.87 -31.28 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.485 -0.779 . . . . 63.32 110.484 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -63.76 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 74.11 109.9 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -67.72 -30.17 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 72.15 111.842 -173.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -59.83 -34.61 73.31 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.103 0.478 . . . . 72.24 110.838 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -105.83 15.36 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 64.15 110.269 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.626 ' HA ' ' NH2' ' A' ' 76' ' ' ARG . 42.0 t -99.02 -63.13 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.757 -0.656 . . . . 65.41 110.232 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.04 -45.24 95.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 74.03 111.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 71.13 111.055 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.2 -26.75 42.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.29 -0.413 . . . . 73.42 111.375 -177.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -105.33 4.52 31.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.755 0.279 . . . . 74.53 111.755 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.43 -132.57 4.35 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.584 -0.817 . . . . 53.54 112.171 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.753 -0.642 . . . . 73.24 109.717 -179.321 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.76 0.314 . . . . 65.22 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.12 107.92 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.855 -0.424 . . . . 53.13 109.855 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -141.24 150.21 42.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.11 -0.496 . . . . 73.5 110.304 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.7 38.75 0.58 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.166 0.508 . . . . 75.13 110.126 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.97 115.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.471 -0.786 . . . . 43.2 109.686 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 8' ' ' ARG . 13.9 p90 -121.62 146.99 46.85 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.317 -0.401 . . . . 65.25 110.847 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 21.1 Cg_exo -66.48 -4.36 10.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.276 2.651 . . . . 73.02 113.27 -176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 28.4 mmt180 -73.42 -14.29 61.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.819 0.342 . . . . 62.13 110.726 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 6' ' ' PHE . 11.7 pt-20 -66.34 -18.97 65.67 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.071 -0.513 . . . . 75.15 110.944 177.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.12 -17.59 64.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.272 0.558 . . . . 62.2 110.114 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 3.1 mmp_? -101.68 -61.73 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.327 -0.62 . . . . 73.53 109.327 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.1 mt -122.19 105.42 10.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.49 -0.777 . . . . 72.33 109.556 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.9 pp -68.1 133.62 49.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.13 0.49 . . . . 61.32 110.404 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -120.9 77.54 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 73.43 111.817 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.9 -30.08 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.048 1.832 . . . . 74.13 111.175 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 m -93.42 118.61 31.53 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 72.32 110.343 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -75.32 -28.4 59.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.157 -0.682 . . . . 74.04 109.157 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.5 -25.08 65.81 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.302 -0.863 . . . . 74.25 111.128 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.1 m -77.14 -41.66 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 72.11 110.869 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -83.34 -27.14 29.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.417 -0.356 . . . . 70.0 110.911 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 9.3 p -67.5 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.148 0.499 . . . . 54.23 110.377 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.85 -22.03 40.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 74.03 109.889 176.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.01 -53.43 10.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 72.13 110.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -147.29 94.78 4.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.869 -0.605 . . . . 73.04 109.899 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HB2' HD22 ' A' ' 36' ' ' LEU . 89.8 Cg_endo -86.2 159.96 9.91 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.971 2.447 . . . . 53.31 113.419 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 40.7 mt-30 -99.23 140.96 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.919 . . . . 72.34 108.517 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.26 103.41 13.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.871 0.367 . . . . 73.33 110.372 -175.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.96 169.39 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 71.51 110.497 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 -145.13 19.53 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.865 -0.683 . . . . 63.43 112.312 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.584 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 55.5 p -123.34 169.59 9.87 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 75.21 110.346 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.584 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 17.6 Cg_endo -60.09 -14.44 28.53 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 72.41 112.314 172.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.12 -53.59 4.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.673 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.551 HD13 HD21 ' A' ' 108' ' ' LEU . 8.6 tt -112.57 100.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.522 0.677 . . . . 65.22 110.028 176.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.524 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 20.8 m -94.25 119.07 32.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.598 -0.728 . . . . 70.05 111.187 -176.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -101.97 132.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.715 -0.675 . . . . 44.55 109.736 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 25' ' ' PRO . 75.9 mt -103.37 -96.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 73.04 111.078 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.71 121.91 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.938 -0.649 . . . . 33.01 113.063 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.7 mmt180 -138.68 98.91 3.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.094 0.473 . . . . 74.43 111.032 175.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.5 tp -82.77 88.45 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 64.05 110.509 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.37 -49.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 63.5 110.422 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -165.59 92.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 62.31 110.497 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 tp -170.42 -66.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.218 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 82' ' ' ALA . . . 70.32 21.63 77.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.986 -0.626 . . . . 42.32 112.89 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.4 t-80 -132.11 116.51 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.653 -0.499 . . . . 71.35 109.653 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 83' ' ' MET . 47.3 Cg_exo -57.12 143.78 92.1 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 123.384 2.723 . . . . 75.13 113.834 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -141.66 118.95 11.43 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.392 -0.822 . . . . 73.44 109.555 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 47' ' ' ILE . 9.3 tt -81.77 86.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 122.045 0.926 . . . . 60.03 109.861 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.46 67.33 3.48 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.481 -0.781 . . . . 53.45 112.208 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.514 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 55.4 tp -64.81 99.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.214 0.53 . . . . 62.24 110.13 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -105.54 96.77 6.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.714 -0.675 . . . . 70.3 110.391 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.458 HG12 ' HB3' ' A' ' 89' ' ' ALA . 27.2 m -97.33 138.79 21.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.779 -0.646 . . . . 74.42 110.716 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' ND2' ' A' ' 55' ' ' ASN . . . -83.77 153.91 23.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.223 -0.444 . . . . 53.1 110.15 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -82.25 7.39 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.317 0.58 . . . . 73.21 110.151 -175.5 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -115.31 -5.57 12.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.431 -0.804 . . . . 71.41 110.631 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 52' ' ' ALA . 81.3 m-20 -101.52 -54.19 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 54.14 111.142 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -81.8 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 71.42 109.835 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.816 ' HG3' ' HD3' ' A' ' 58' ' ' ARG . 13.2 ptm180 -90.59 -23.72 20.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.045 -0.525 . . . . 75.32 111.699 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.816 ' HD3' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -109.47 137.44 47.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.245 -0.28 . . . . 72.32 110.245 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.94 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 74.14 111.55 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -71.97 -8.79 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.153 0.427 . . . . 72.51 112.153 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 94' ' ' ALA . 0.6 OUTLIER -88.64 -23.39 23.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 73.31 110.468 173.648 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -66.3 -38.13 87.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 63.53 110.296 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -89.17 -0.03 57.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.822 -0.627 . . . . 73.01 110.638 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 23.0 ttt180 -94.23 -43.83 8.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.702 -0.681 . . . . 74.01 110.413 -176.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.17 -36.39 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.931 -0.577 . . . . 73.14 111.473 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 17.1 ptpt -80.98 10.19 5.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.766 0.317 . . . . 71.2 111.847 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -90.03 -47.57 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 73.54 109.608 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.61 -43.72 79.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 64.35 109.982 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' A' ' 66' ' ' LYS . 9.5 p -71.95 -25.31 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 54.42 111.773 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -60.06 -38.12 81.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 72.45 111.451 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.0 -37.3 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 71.15 111.961 -173.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -69.7 -12.2 61.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.336 0.495 . . . . 71.23 112.336 -172.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.24 10.39 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.973 0.36 . . . . 72.42 111.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -139.18 -36.07 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.404 -0.519 . . . . 60.5 112.327 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.2 19.67 0.16 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.857 0.688 . . . . 65.44 112.857 -173.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -136.61 27.78 3.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.678 -0.489 . . . . 74.52 109.678 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.86 -13.14 55.32 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.754 1.02 . . . . 62.23 113.754 -169.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -77.88 -42.93 31.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.423 -0.511 . . . . 74.11 110.421 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -122.72 84.44 2.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.192 0.52 . . . . 75.0 109.684 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 tp -171.59 135.12 0.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.159 -0.928 . . . . 63.5 109.556 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HG2' ' HG ' ' A' ' 115' ' ' LEU . 23.0 Cg_exo -65.32 111.6 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.349 2.032 . . . . 71.21 111.541 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' HA2' ' A' ' 43' ' ' GLY . . . -76.55 98.43 4.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 71.33 111.197 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 26.5 ptt? -145.02 -165.54 2.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.66 -0.7 . . . . 51.41 109.253 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.582 ' OD2' HG23 ' A' ' 86' ' ' VAL . 2.4 p-10 -76.42 157.31 32.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.403 -0.591 . . . . 65.03 109.403 176.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HE2' ' HB3' ' A' ' 45' ' ' PRO . 82.2 m-85 -132.71 75.73 1.65 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.965 -0.383 . . . . 74.42 109.965 176.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.582 HG23 ' OD2' ' A' ' 84' ' ' ASP . 58.7 t -67.93 103.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 75.11 109.528 174.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.514 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 47.1 t -93.49 99.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.682 -0.69 . . . . 64.55 109.775 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 21.8 t -85.85 96.54 5.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.617 -0.512 . . . . 72.34 109.617 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB3' HG12 ' A' ' 51' ' ' VAL . . . -80.95 109.12 15.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.761 -0.654 . . . . 64.51 110.796 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.12 174.42 8.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.444 -0.798 . . . . 73.31 109.295 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.21 158.07 35.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.54 -0.541 . . . . 72.12 109.54 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.24 -23.1 29.62 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.61 -0.805 . . . . 62.44 111.37 -172.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -74.59 -32.08 28.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.838 0.352 . . . . 60.34 110.306 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . . . -80.61 63.9 5.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.374 0.607 . . . . 74.34 109.746 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -175.18 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.927 -1.033 . . . . 62.43 109.468 -173.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.35 115.09 3.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.483 -0.78 . . . . 71.35 111.877 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.85 163.77 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.166 -0.925 . . . . 70.15 110.518 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -50.97 -39.39 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.74 0.305 . . . . 73.2 111.197 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 13.9 ttm180 -65.65 -48.82 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 72.25 110.505 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.27 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 70.42 111.479 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.29 -45.39 94.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.158 0.504 . . . . 73.41 110.75 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -69.83 -38.22 76.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.908 -0.587 . . . . 74.31 110.993 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 29.4 mt-10 -77.15 -17.17 58.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 74.42 111.237 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.75 25.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.48 -0.327 . . . . 71.25 110.788 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 73.41 110.581 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.72 -31.87 73.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 74.44 111.132 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.61 -33.22 75.43 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.989 0.423 . . . . 72.32 110.218 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 33' ' ' ILE . 11.3 mp -72.0 -41.05 68.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 72.24 110.152 175.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -65.59 -42.38 91.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 73.1 111.205 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -59.17 -28.73 66.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.187 -0.46 . . . . 51.44 111.185 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -86.3 -37.34 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.887 0.375 . . . . 64.45 110.411 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -63.82 -45.04 91.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.26 -0.427 . . . . 74.21 111.287 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.67 -42.29 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.469 0.48 . . . . 75.32 111.14 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 114' ' ' ARG . 11.2 mmt180 -71.33 -37.73 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 74.34 111.138 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.415 ' HG ' ' HG2' ' A' ' 81' ' ' PRO . 48.9 tp -68.53 -30.21 68.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.481 . . . . 71.32 110.689 -178.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -17.4 56.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 75.21 112.262 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -116.28 -25.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.983 -0.287 . . . . 73.42 111.632 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.95 109.46 1.43 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.741 -0.742 . . . . 61.34 111.515 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.715 -0.66 . . . . 74.13 110.899 -177.941 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ttt . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.807 0.337 . . . . 50.22 110.374 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -96.26 98.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.794 0.807 . . . . 74.15 109.834 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -83.89 -15.83 46.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.221 -0.899 . . . . 61.11 110.667 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 40' ' ' ASN . 9.9 tt -74.34 -19.03 60.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.524 -0.762 . . . . 73.35 109.846 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.79 -177.45 3.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.769 -0.65 . . . . 54.32 109.853 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -128.29 128.35 23.68 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.669 -0.241 . . . . 71.34 110.369 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.12 140.97 67.62 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.606 2.204 . . . . 61.21 111.945 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HB2' HD22 ' A' ' 12' ' ' LEU . 18.3 ptp180 -71.04 -16.64 62.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.136 -0.484 . . . . 64.23 110.834 -176.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.57 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.14 110.372 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -87.42 -55.26 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 72.1 108.886 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.4 tpt180 -149.93 127.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.607 -0.724 . . . . 72.11 109.993 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -75.28 108.22 7.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.136 -0.69 . . . . 72.42 109.136 177.536 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -112.44 172.95 6.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.771 -0.65 . . . . 75.13 110.401 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -81.8 125.17 78.57 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.086 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.28 10.07 1.92 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 123.094 2.53 . . . . 61.04 113.476 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -89.21 136.1 33.21 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.123 -0.325 . . . . 65.44 110.123 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.62 -30.32 42.2 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 64.23 111.668 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' HG21 ' A' ' 86' ' ' VAL . 78.0 m-85 -59.49 -40.58 87.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.198 -0.456 . . . . 64.14 111.108 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -88.56 -21.39 24.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 50.44 110.523 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' HZ ' HD23 ' A' ' 4' ' ' LEU . 88.4 t80 -70.51 -42.08 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 74.24 111.175 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 38' ' ' ARG . 35.0 m -71.06 -24.13 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.495 -0.321 . . . . 64.41 111.421 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.39 -13.48 61.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 63.3 111.456 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.23 -33.3 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 61.03 110.785 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.91 89.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.26 -1.015 . . . . 74.11 108.26 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -97.16 170.35 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.441 2.761 . . . . 65.41 113.897 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -89.58 126.06 35.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.16 -0.927 . . . . 73.41 108.999 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.07 87.09 6.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 74.44 110.528 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.42 156.04 21.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 63.41 110.663 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.39 -145.61 17.7 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.769 -0.729 . . . . 42.11 112.427 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.474 ' HB ' ' CD ' ' A' ' 31' ' ' PRO . 23.7 p -133.92 173.3 6.0 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.334 -0.247 . . . . 71.51 110.334 -177.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' HB ' ' A' ' 30' ' ' THR . 23.4 Cg_exo -67.02 -11.71 33.31 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 74.54 112.853 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.491 ' O ' ' HB ' ' A' ' 93' ' ' VAL . 11.4 pt20 -95.16 -31.48 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 62.12 110.148 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.8 tt -142.19 105.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.546 0.689 . . . . 70.54 109.728 176.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 m -103.44 125.27 49.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 74.54 111.054 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG13 HG13 ' A' ' 87' ' ' VAL . 3.6 mp -96.63 110.01 24.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.33 -0.619 . . . . 43.45 109.33 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.98 90.95 7.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.171 0.51 . . . . 75.42 109.969 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.76 162.6 17.48 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.561 -0.745 . . . . 74.13 111.383 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.552 ' HB3' HG12 ' A' ' 21' ' ' VAL . 20.3 ttt180 -166.72 124.63 1.35 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.281 -0.266 . . . . 65.44 110.281 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.9 pt? -56.25 126.8 27.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 74.33 109.522 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.598 ' HA ' HD21 ' A' ' 4' ' ' LEU . 9.2 p30 -153.17 155.68 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 74.0 110.443 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 m -84.89 95.42 9.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.233 0.54 . . . . 63.42 110.758 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -166.59 -47.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.224 -0.898 . . . . 73.12 109.094 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 68.69 48.05 52.21 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.822 -0.626 . . . . 60.14 111.851 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -109.13 89.65 7.05 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-O 120.995 0.426 . . . . 73.1 109.914 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 72.9 Cg_endo -83.41 84.28 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.346 2.031 . . . . 41.34 112.789 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -136.82 130.78 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD11 ' HB ' ' A' ' 69' ' ' THR . 10.0 tt -66.95 122.04 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.289 0.566 . . . . 54.23 110.528 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.51 53.06 0.67 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.768 -0.729 . . . . 63.43 112.606 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD21 HG22 ' A' ' 65' ' ' ILE . 33.6 tp -73.28 115.63 12.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.223 -0.288 . . . . 73.44 110.223 177.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -120.68 116.69 25.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.662 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -91.6 127.83 43.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.186 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.49 150.68 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 74.34 110.894 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -80.4 72.86 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 73.41 110.532 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -155.33 17.43 0.41 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.285 -0.87 . . . . 60.44 109.483 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.72 -64.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.888 -1.051 . . . . 75.43 109.577 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.2 t -104.74 116.55 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.656 -0.498 . . . . 72.21 109.656 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -106.59 -68.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 64.51 110.184 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 58' ' ' ARG . 18.0 mmt180 -131.94 98.35 4.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.312 0.577 . . . . 73.04 110.828 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.63 162.31 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.016 -0.993 . . . . 63.3 108.836 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -71.75 -13.32 61.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 70.42 110.201 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.1 mp0 -75.85 -5.13 44.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.259 -0.882 . . . . 53.11 111.033 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -45.15 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 70.43 109.587 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -87.59 -14.64 39.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 55.22 110.327 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 17.6 tpp180 -57.04 -48.61 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 72.41 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.552 HG22 HD21 ' A' ' 49' ' ' LEU . 37.4 mm -62.95 -42.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.557 -0.747 . . . . 64.23 111.153 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 66' ' ' LYS . 19.0 ptmt -82.06 -14.76 55.38 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.575 -0.45 . . . . 71.23 111.515 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -73.36 -54.8 7.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.982 0.42 . . . . 73.24 110.134 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -47.27 81.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.258 -0.883 . . . . 60.32 110.643 -176.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.471 ' HB ' HD11 ' A' ' 47' ' ' ILE . 23.3 p -71.62 -37.24 70.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 71.4 112.121 -176.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -66.0 -47.01 75.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 54.54 110.854 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.25 -32.11 68.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.806 -0.634 . . . . 70.14 111.186 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 p -76.84 -39.4 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.688 0.28 . . . . 73.42 110.768 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.37 -39.09 89.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.121 0.486 . . . . 73.53 110.443 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.66 -13.01 61.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.56 -0.746 . . . . 71.14 111.501 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 tp -109.55 -8.08 15.05 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.695 -0.402 . . . . 72.3 110.991 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -124.29 16.93 9.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.118 0.414 . . . . 74.24 112.118 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.32 -19.26 63.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.039 0.385 . . . . 73.4 112.039 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -93.84 -10.71 33.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 71.32 109.969 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.67 2.46 53.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.536 -0.757 . . . . 53.52 109.704 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.54 156.54 60.05 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.272 -0.876 . . . . 64.34 109.993 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.54 148.27 53.49 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.741 2.294 . . . . 61.22 111.709 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -62.78 102.38 0.34 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.932 0.396 . . . . 54.42 110.748 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.0 ttm -148.98 152.36 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.624 -175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.68 120.4 21.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 74.23 110.288 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -116.5 105.83 12.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.102 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG21 ' HA ' ' A' ' 18' ' ' PHE . 49.6 t -88.24 105.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 53.01 110.053 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 35' ' ' ILE . 14.9 t -95.31 113.94 30.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.236 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.3 t -104.46 115.49 46.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.262 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -74.44 134.7 42.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 73.44 110.514 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -103.49 170.7 7.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.645 -0.502 . . . . 72.52 109.645 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -74.52 113.83 12.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.268 0.556 . . . . 70.1 111.001 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.08 -8.23 8.05 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.393 -0.821 . . . . 52.23 112.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 32' ' ' GLN . 13.5 p -68.73 -35.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.002 0.371 . . . . 74.01 112.002 -177.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -90.35 9.87 27.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 73.05 111.03 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -122.85 74.76 1.23 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.277 0.56 . . . . 50.41 110.099 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 pp -135.97 172.75 12.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.742 -0.663 . . . . 65.32 110.72 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.7 166.46 21.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 74.23 111.156 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.94 -46.05 88.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 45.42 110.149 177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 14.9 ptm180 -63.02 -27.91 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 72.0 111.588 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.63 -20.41 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 73.5 111.455 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.89 -52.27 66.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.99 0.424 . . . . 70.21 110.502 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -70.98 -33.15 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 74.22 110.706 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 44.8 mt-10 -67.9 -50.73 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 72.0 110.823 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.36 -27.04 64.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.484 -0.326 . . . . 74.03 111.403 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.92 -53.4 56.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.53 . . . . 72.04 111.339 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 109' ' ' TRP . 13.3 pt-20 -75.32 -17.99 60.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.657 -0.417 . . . . 61.1 110.988 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 14.4 mmmm -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 72.25 110.359 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.47 -36.87 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.11 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 25.5 t90 -61.56 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.536 -0.757 . . . . 75.12 111.104 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -57.65 -30.07 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 70.35 111.338 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -62.31 -46.39 88.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 72.54 111.001 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -26.52 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 72.25 110.95 -174.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.54 -42.56 95.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.931 0.396 . . . . 62.32 110.756 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -69.03 -47.15 66.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.939 -0.573 . . . . 70.32 110.379 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.8 tp -67.51 -27.14 66.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.95 -0.568 . . . . 71.04 111.484 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.85 -12.01 61.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 71.55 111.33 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -117.04 6.98 12.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 74.45 109.724 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 76.93 -110.19 2.96 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.331 -0.849 . . . . 63.23 112.298 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.593 -0.718 . . . . 65.34 110.063 179.117 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttm . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.109 -0.33 . . . . 53.23 110.109 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 6' ' ' PHE . 7.6 p -88.31 118.98 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.53 0.681 . . . . 72.04 111.301 -177.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.528 ' HG2' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -125.95 11.5 7.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 74.11 110.195 174.387 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 HD12 ' HG2' ' A' ' 3' ' ' LYS . 7.3 mp -109.29 178.89 4.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.1 109.494 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.24 99.14 5.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.194 -0.299 . . . . 62.11 110.194 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' HB2' HG21 ' A' ' 2' ' ' VAL . 56.2 t80 -76.98 117.26 63.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.4 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -79.62 59.55 7.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.952 2.434 . . . . 71.34 112.294 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -63.54 -28.98 70.31 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.99 0.424 . . . . 71.41 110.959 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -75.33 -22.97 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.263 0.554 . . . . 64.44 110.295 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -92.48 -31.33 15.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.654 . . . . 73.35 109.274 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 67.48 20.02 9.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.36 -0.836 . . . . 75.34 111.821 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 10' ' ' LEU . 2.0 tm? -136.87 113.43 10.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.279 -0.637 . . . . 55.02 109.279 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.13 117.36 24.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 74.31 109.714 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.48 107.46 53.25 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.919 0.39 . . . . 70.2 110.948 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.4 2.86 8.16 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 123.116 2.544 . . . . 50.33 112.211 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -70.02 123.67 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 30.31 110.858 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.513 ' HA ' HD21 ' A' ' 40' ' ' ASN . 8.3 pt20 -52.22 -48.94 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.368 -0.833 . . . . 71.03 112.403 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -67.88 -36.99 81.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 74.52 111.327 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 20.1 m -69.85 -45.5 67.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 54.42 111.579 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.82 -42.15 99.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.34 111.423 -174.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 38' ' ' ARG . 11.7 p -78.39 -20.55 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 54.45 111.232 -176.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.56 -36.48 63.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 73.21 111.503 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.5 mm-40 -61.28 -57.88 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 71.45 111.742 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -133.79 82.8 49.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 61.52 110.613 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HB2' HD22 ' A' ' 36' ' ' LEU . 96.0 Cg_endo -82.67 144.05 12.3 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.803 2.336 . . . . 75.14 113.015 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -84.58 127.8 34.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.21 -0.663 . . . . 73.42 109.21 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -85.57 94.0 8.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.903 0.382 . . . . 73.34 110.061 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.46 168.72 9.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 64.41 110.792 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.577 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 90.23 -117.2 4.99 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.872 -0.68 . . . . 72.42 112.31 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.515 HG22 ' HD2' ' A' ' 31' ' ' PRO . 3.6 m -144.58 151.48 50.51 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.303 -0.629 . . . . 71.13 109.303 -177.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HD2' HG22 ' A' ' 30' ' ' THR . 73.1 Cg_exo -54.81 -29.11 61.28 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.156 1.904 . . . . 74.41 112.521 172.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -79.05 -39.93 32.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.061 0.458 . . . . 71.33 110.783 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 tt -131.29 97.31 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.912 0.863 . . . . 72.3 109.191 174.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -95.34 122.76 38.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.323 -0.853 . . . . 71.21 112.011 -168.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 HD12 ' A' ' 108' ' ' LEU . 53.3 mt -97.04 114.45 34.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.675 -0.693 . . . . 61.44 109.816 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 25' ' ' PRO . 84.7 mt -100.32 103.75 15.17 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.41 -0.589 . . . . 65.5 109.41 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.03 148.89 18.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.648 -0.787 . . . . 54.02 112.829 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HB2' HG23 ' A' ' 21' ' ' VAL . 17.5 mmt180 -158.39 146.62 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.167 0.587 . . . . 72.15 109.596 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.742 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -67.52 104.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.361 -0.607 . . . . 45.23 109.361 175.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.513 HD21 ' HA ' ' A' ' 17' ' ' GLN . 3.4 t-20 -90.19 159.46 16.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.941 -0.572 . . . . 71.3 111.239 -171.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.81 -19.93 24.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 71.21 110.904 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -64.32 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.838 -0.801 . . . . 72.05 108.838 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.95 46.74 10.2 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.698 -0.763 . . . . 61.2 113.234 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 16.9 t60 -131.67 84.43 54.95 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.594 -0.891 . . . . 55.02 108.594 175.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -31.87 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 124.824 3.683 . . . . 73.43 115.314 -168.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 44' ' ' HIS . 18.3 mmm180 -116.41 111.26 19.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.177 -0.919 . . . . 75.21 108.983 170.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.8 tt -69.7 100.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.535 0.684 . . . . 62.12 110.143 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.594 ' HA3' HG12 ' A' ' 86' ' ' VAL . . . -77.05 63.69 3.19 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.675 -0.693 . . . . 45.34 112.893 -176.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.73 113.06 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.943 0.401 . . . . 74.2 110.29 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -107.43 94.12 4.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.196 0.522 . . . . 72.53 109.975 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.0 91.0 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.661 0.743 . . . . 62.45 110.319 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.31 139.51 58.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.261 -0.881 . . . . 72.53 111.019 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -80.32 -6.52 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.05 -0.523 . . . . 75.43 111.111 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -86.08 -26.01 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.444 -0.576 . . . . 74.44 109.444 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.574 ' HA ' ' HB3' ' A' ' 91' ' ' LYS . 90.9 m-20 -84.66 -32.33 23.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.618 -0.719 . . . . 64.3 109.881 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG11 ' HG2' ' A' ' 62' ' ' ARG . 38.5 t -120.19 99.9 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 71.44 109.728 174.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -76.74 -8.3 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 75.41 110.499 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.663 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 16.4 mmm180 -82.23 -177.07 6.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 63.22 111.016 -177.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.11 -76.54 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 61.42 111.186 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -64.36 -24.59 67.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.189 0.519 . . . . 55.34 110.642 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.663 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 11.5 mp0 -66.43 -19.66 65.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 53.15 110.972 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.436 ' HG2' HG11 ' A' ' 56' ' ' VAL . 54.8 mtp180 -73.81 -33.18 64.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.15 0.5 . . . . 74.11 109.715 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 13.6 m120 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 65.34 109.916 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -58.11 -45.18 87.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 74.24 110.42 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.39 -39.92 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 61.35 110.322 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 71.32 111.411 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 79.3 mtp180 -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.319 . . . . 75.23 110.846 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 HD23 ' A' ' 105' ' ' LEU . 2.5 tm? -67.7 -48.04 67.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 62.41 110.648 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 p -73.69 -36.47 65.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 71.33 112.329 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.58 -3.45 18.23 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.736 0.303 . . . . 72.41 111.285 -176.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.36 -64.13 1.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.945 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 p -60.58 -40.66 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.812 0.671 . . . . 61.15 112.812 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -72.44 -33.84 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 62.04 111.436 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.826 ' HD3' HD22 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -82.32 -26.62 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.973 -0.558 . . . . 74.41 111.911 -173.545 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.826 HD22 ' HD3' ' A' ' 74' ' ' ARG . 3.2 mm? -79.99 3.75 19.12 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.524 0.564 . . . . 53.22 112.524 -176.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 80.4 mmt-85 -131.17 24.75 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.138 -0.351 . . . . 71.14 110.682 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -70.96 -2.81 16.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 74.12 111.937 -172.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.02 -28.27 22.72 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.286 -0.259 . . . . 64.45 111.496 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.89 0.376 . . . . 72.41 110.688 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.65 124.82 88.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.664 . . . . 71.55 109.206 174.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD3' ' HB1' ' A' ' 116' ' ' ALA . 51.3 Cg_exo -54.67 147.94 47.14 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.239 2.626 . . . . 72.31 113.131 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.03 72.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 44.54 110.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -134.86 141.22 46.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.485 -0.779 . . . . 62.45 109.541 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.02 129.93 34.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 63.21 110.605 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -139.36 153.81 47.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.651 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.594 HG12 ' HA3' ' A' ' 48' ' ' GLY . 31.4 m -115.58 144.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 63.34 110.894 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.95 110.89 30.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.442 -0.577 . . . . 75.43 109.442 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.07 115.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 75.44 111.086 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.56 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 41.3 110.03 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 31' ' ' PRO . 34.4 mmtp -92.85 175.99 6.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.502 . . . . 64.04 111.13 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 55' ' ' ASN . 20.4 pttt -73.0 105.38 4.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 65.32 111.124 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.08 -30.39 0.89 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.396 -0.82 . . . . 74.52 111.808 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.45 -25.85 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 111.845 0.313 . . . . 75.24 111.845 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HB2' HG13 ' A' ' 56' ' ' VAL . . . -75.96 -18.21 59.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.96 0.409 . . . . 64.24 111.77 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -112.93 22.07 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.761 0.791 . . . . 72.13 110.145 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.58 -0.736 . . . . 63.33 110.682 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 10.1 t70 -93.69 149.55 21.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 61.43 110.684 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -62.85 -37.29 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.141 0.422 . . . . 72.53 112.141 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -78.31 -30.72 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.4 -0.592 . . . . 71.12 109.4 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.23 71.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.632 -0.713 . . . . 52.42 110.461 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 98.5 mt -65.59 -32.57 74.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 55.21 110.279 176.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 t -71.77 -35.92 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 72.23 109.893 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.67 -37.44 79.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.889 -0.596 . . . . 72.4 110.424 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -81.83 -22.12 37.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 53.44 111.191 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HD11 ' A' ' 68' ' ' LEU . 3.1 tm? -56.29 -44.76 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 73.35 110.861 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.56 -21.23 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.524 -0.307 . . . . 62.23 111.563 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 28.9 mmmt -72.54 -59.98 2.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.677 0.275 . . . . 74.15 110.84 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.573 HD12 HD11 ' A' ' 35' ' ' ILE . 2.6 pt? -72.73 -28.41 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 74.04 110.669 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -69.17 -50.06 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.446 -0.343 . . . . 70.21 110.522 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.73 -32.12 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 73.23 110.738 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 21.8 tpp180 -61.76 -35.44 78.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 63.33 109.854 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 42.0 t60 -81.96 -17.49 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 74.4 110.625 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.99 -39.61 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.559 -0.534 . . . . 71.24 109.559 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -61.56 -55.71 27.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.538 -0.756 . . . . 72.41 109.888 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.83 63.05 4.26 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.844 0.831 . . . . 73.34 109.773 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.445 ' HB1' ' HD3' ' A' ' 81' ' ' PRO . . . -165.01 -35.72 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.466 -1.243 . . . . 40.21 109.239 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.49 ' NE ' ' HA ' ' A' ' 117' ' ' ARG . 4.7 mmp_? -100.86 -17.98 16.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.604 -0.726 . . . . 74.53 110.402 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.3 -171.6 20.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.008 -0.615 . . . . 74.55 112.183 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.554 -0.736 . . . . 54.14 110.069 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ppp? . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.003 0.43 . . . . 74.1 110.45 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.29 -30.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.71 -0.677 . . . . 72.11 109.66 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -95.16 128.98 42.42 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.014 -0.539 . . . . 73.44 109.801 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 8.7 mp -67.79 125.71 27.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.957 -0.386 . . . . 74.11 109.957 178.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.21 89.36 3.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.965 -0.561 . . . . 72.45 111.631 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -85.27 123.49 73.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.107 -0.701 . . . . 64.4 109.107 171.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.26 111.16 0.47 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.133 2.555 . . . . 63.43 112.729 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -67.57 -11.06 57.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.502 -0.772 . . . . 75.3 110.006 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.43 -39.53 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.88 -1.055 . . . . 61.44 109.245 172.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 52.7 tp -89.25 -68.67 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.683 -0.69 . . . . 72.43 109.92 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 53.2 mtm-85 -141.84 144.1 33.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 71.52 109.735 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.04 130.12 35.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.732 -0.47 . . . . 75.11 109.732 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.19 156.59 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 70.24 110.854 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 5.4 p -115.75 140.02 25.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.401 -0.363 . . . . 71.44 111.129 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 16.4 Cg_exo -69.27 -3.24 11.29 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 74.33 111.998 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 19' ' ' THR . 19.0 m -92.71 114.32 26.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.626 -0.716 . . . . 74.11 110.051 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -65.24 -22.48 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.302 . . . . 61.2 111.229 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 93.9 t80 -64.4 -42.98 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.687 177.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 16' ' ' SER . 11.2 p -86.71 -16.81 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.405 -0.362 . . . . 51.34 111.111 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -66.3 -50.51 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 72.43 110.067 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.42 -9.15 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.876 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' HA ' ' HG3' ' A' ' 25' ' ' PRO . 17.6 t80 -84.86 -0.7 54.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.521 . . . . 73.0 110.42 -177.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -62.81 -38.88 92.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.223 0.535 . . . . 61.12 109.831 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -155.47 77.44 4.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.643 -0.873 . . . . 64.51 108.643 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.595 ' HG3' ' HA ' ' A' ' 22' ' ' PHE . 11.5 Cg_exo -68.73 118.4 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.833 2.355 . . . . 63.24 113.51 -169.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -85.63 121.71 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 71.43 109.48 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HG2' HG23 ' A' ' 34' ' ' THR . 6.0 tmm_? -94.99 100.63 12.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.492 . . . . 73.14 110.428 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 35' ' ' ILE . . . -119.45 99.23 6.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 72.05 109.799 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.7 -146.3 10.75 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.846 -0.692 . . . . 62.42 111.796 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.552 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 48.5 p -127.36 169.32 12.52 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 110.513 -0.18 . . . . 75.13 110.513 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 48.4 Cg_endo -71.44 0.68 6.48 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.095 1.864 . . . . 63.51 111.466 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -97.02 -41.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.552 -0.749 . . . . 74.34 109.558 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -144.22 119.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 74.44 109.645 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 27' ' ' ARG . 32.7 m -110.66 114.26 27.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.098 -0.501 . . . . 75.23 111.449 -172.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.428 HG13 HG13 ' A' ' 87' ' ' VAL . 4.0 mp -93.91 115.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 53.13 109.814 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 86' ' ' VAL . 98.0 mt -104.04 112.53 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.283 -0.417 . . . . 72.21 109.971 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.04 116.26 1.36 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.449 -0.882 . . . . 73.45 112.845 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -145.19 82.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.545 -0.539 . . . . 72.22 109.545 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 40' ' ' ASN . 9.5 tp -150.09 -165.54 2.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 74.23 109.272 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' H ' ' HG ' ' A' ' 39' ' ' LEU . 37.5 t-20 -108.35 136.23 48.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.744 -0.465 . . . . 63.32 109.744 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -76.81 78.98 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.274 0.559 . . . . 73.42 110.494 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.36 -19.13 43.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.696 . . . . 61.43 111.371 -176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.562 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 113.34 -5.03 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.647 -0.787 . . . . 61.41 111.181 -175.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -96.4 98.47 4.26 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.405 -0.591 . . . . 73.4 109.405 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 30.5 Cg_endo -93.14 103.26 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.921 2.414 . . . . 65.1 112.529 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -113.67 108.95 17.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.298 -0.41 . . . . 71.4 110.097 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.55 HD11 ' HB ' ' A' ' 69' ' ' THR . 3.4 tt -87.42 99.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.77 0.795 . . . . 61.31 110.473 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 71.56 2.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.774 -0.727 . . . . 25.2 112.616 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 69' ' ' THR . 58.7 tp -67.38 118.39 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.839 0.352 . . . . 63.1 110.661 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -114.43 110.09 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.997 0.427 . . . . 63.11 110.768 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.84 143.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 70.04 109.866 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.42 -178.29 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.745 -0.207 . . . . 74.45 110.69 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HG2' HH21 ' A' ' 62' ' ' ARG . 46.7 mtpt -90.1 -15.47 31.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 74.11 110.576 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -74.42 -23.69 58.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.467 -0.333 . . . . 72.42 111.156 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.2 p-10 -105.07 -48.85 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 74.14 110.297 176.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.91 87.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.279 0.562 . . . . 74.2 109.875 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -93.56 10.76 31.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.509 . . . . 62.04 110.93 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -101.57 104.21 15.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 73.31 109.584 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.59 72.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.947 -0.569 . . . . 51.52 111.657 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -68.2 -25.35 65.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.056 0.455 . . . . 71.13 110.75 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -93.72 9.74 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.223 -0.444 . . . . 61.4 111.172 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.631 HH21 ' HG2' ' A' ' 53' ' ' LYS . 14.7 mmt180 -63.76 -39.58 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.992 0.425 . . . . 71.4 110.656 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.49 -27.08 66.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.545 -0.752 . . . . 63.3 110.336 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -60.64 -52.01 66.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.775 -0.648 . . . . 73.54 110.988 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.3 mm -62.38 -39.62 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.516 -0.765 . . . . 51.51 110.865 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -57.52 -57.08 14.26 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.102 -0.239 . . . . 72.23 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 70' ' ' ARG . 49.3 mtp180 -67.69 -29.55 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 70.31 111.589 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -41.51 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.094 -0.706 . . . . 74.42 109.094 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.55 ' HB ' HD11 ' A' ' 47' ' ' ILE . 31.6 p -91.12 0.19 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 71.43 111.638 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.3 tpp180 -90.74 -67.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 72.2 110.203 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -15.66 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.77 -0.65 . . . . 72.23 112.154 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 p -84.59 -63.71 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.855 0.36 . . . . 71.04 110.949 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.622 ' HD2' HD22 ' A' ' 80' ' ' LEU . 77.5 m-85 -65.74 -34.01 77.21 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.301 0.852 . . . . 53.23 113.301 -172.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 4.7 ppt_? -92.44 -5.42 51.98 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.333 -0.547 . . . . 72.31 112.172 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 75' ' ' LEU . 52.0 mt -107.42 -45.49 4.07 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.844 -0.343 . . . . 73.43 110.77 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.715 ' HG3' ' HB2' ' A' ' 79' ' ' GLU . 3.3 tpm_? -95.32 54.22 1.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.666 0.745 . . . . 75.21 109.26 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -19.46 65.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.315 -0.857 . . . . 64.41 111.944 -174.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -81.77 3.34 26.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.664 0.269 . . . . 65.21 111.156 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.715 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -108.84 3.34 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.246 0.546 . . . . 63.32 109.57 174.067 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.622 HD22 ' HD2' ' A' ' 73' ' ' PHE . 54.9 tp -127.51 118.36 21.46 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.617 -0.72 . . . . 74.34 111.45 -174.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HD2' ' HE1' ' A' ' 112' ' ' HIS . 19.1 Cg_endo -62.68 110.57 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.249 1.966 . . . . 53.22 110.297 170.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 95.14 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.11 0.481 . . . . 44.31 111.765 -176.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.429 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 25.3 ptt? -150.84 176.69 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.218 -0.901 . . . . 75.41 109.486 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.14 117.46 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 71.43 109.004 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.5 160.99 38.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.666 0.269 . . . . 72.21 110.662 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -111.97 134.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.236 0.541 . . . . 73.52 111.122 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.428 HG13 HG13 ' A' ' 35' ' ' ILE . 46.8 t -109.59 107.33 22.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 53.12 109.624 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.8 110.63 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.918 0.39 . . . . 70.42 110.509 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 126.88 33.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.143 -0.481 . . . . 53.1 109.951 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.91 -170.48 2.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.208 -0.664 . . . . 72.31 109.208 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 27.0 ttpp -92.9 104.36 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.426 -0.583 . . . . 74.42 109.426 176.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.65 -37.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.46 -0.656 . . . . 73.52 111.46 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.8 8.11 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.628 0.728 . . . . 63.5 110.164 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.34 24.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 65.41 110.969 -177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.92 101.96 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.49 . . . . 65.12 110.543 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.4 mt -144.91 169.68 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.872 -0.603 . . . . 73.31 109.849 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.82 161.63 28.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.376 -0.375 . . . . 73.44 110.144 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -60.68 -41.78 95.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 71.5 111.124 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 13.0 ttm180 -79.18 -32.19 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.912 -0.315 . . . . 53.34 110.685 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.0 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.4 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.57 -17.15 61.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.389 . . . . 71.12 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 t -78.95 -45.05 21.22 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.209 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 10.8 pt-20 -73.68 -26.51 60.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.596 0.236 . . . . 73.23 110.702 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.45 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -57.56 -31.84 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 54.14 110.654 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.47 -37.79 77.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 72.21 111.09 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -73.08 -23.47 60.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.621 -0.432 . . . . 74.42 110.073 -178.541 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 22.4 mmmt -64.82 -44.41 89.94 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.215 -0.661 . . . . 64.4 109.215 175.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.56 -49.33 63.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.327 -0.851 . . . . 65.3 110.36 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.447 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 32.6 t90 -59.25 -56.16 25.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 73.31 111.96 -176.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -61.29 -32.58 72.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.641 -0.254 . . . . 72.01 111.555 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 25.4 tpt180 -83.03 -39.97 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.801 -0.36 . . . . 71.43 110.548 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.511 ' HE1' ' HD2' ' A' ' 81' ' ' PRO . 21.2 t-80 -66.64 -35.93 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.184 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.18 -51.7 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 64.35 110.741 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.62 ' HB3' ' OXT' ' A' ' 119' ' ' SER . 10.4 mmm180 -60.76 -52.27 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.566 . . . . 60.34 111.131 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.06 -33.63 74.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 74.22 111.969 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.8 64.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 72.33 111.475 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -87.68 -37.5 16.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.517 -0.31 . . . . 75.21 110.659 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.86 -80.23 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.391 -0.909 . . . . 71.14 112.88 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.62 ' OXT' ' HB3' ' A' ' 114' ' ' ARG . 21.1 t . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.658 -0.687 . . . . 71.24 109.534 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.753 0.311 . . . . 63.14 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -78.91 107.07 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 63.21 111.291 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -102.16 -37.85 7.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.411 -0.589 . . . . 70.44 109.411 171.26 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.2 109.9 15.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 74.54 109.841 174.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.91 88.64 7.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.425 . . . . 53.54 110.301 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -109.78 166.16 11.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.571 -0.741 . . . . 73.3 109.571 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.64 102.97 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.525 2.15 . . . . 74.51 112.515 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 17.0 ptt180 -71.49 -14.66 62.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 63.41 110.644 -178.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 8.6 pt-20 -78.62 -25.6 45.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.44 -0.8 . . . . 54.03 110.63 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.6 mt -98.83 -36.45 9.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 74.21 110.685 -178.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -131.88 143.45 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 74.23 110.467 179.38 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -89.87 176.55 6.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.235 -0.439 . . . . 71.42 110.163 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -75.04 88.88 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 73.21 110.993 -177.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 p -112.54 102.02 53.6 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.86 -0.609 . . . . 60.14 110.081 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.76 0.27 9.78 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.708 2.272 . . . . 65.42 112.95 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -67.27 137.47 56.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.656 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -55.28 -35.49 65.11 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.958 0.355 . . . . 75.32 111.958 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -79.65 3.93 17.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.354 0.501 . . . . 74.34 112.354 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.4 m -143.57 -30.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.372 -0.531 . . . . 61.04 112.378 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.12 -46.66 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 75.14 111.049 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 21' ' ' VAL . 10.3 p -96.49 7.06 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.481 0.657 . . . . 54.41 110.602 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -85.5 16.11 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.094 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -70.32 -71.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.178 -0.675 . . . . 74.55 109.178 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -146.28 74.78 12.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.073 -0.967 . . . . 75.12 108.794 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 58.0 Cg_endo -70.83 139.61 36.88 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.36 2.04 . . . . 64.3 112.042 -175.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.43 107.27 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.825 -0.435 . . . . 63.05 109.825 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -71.13 99.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.192 -0.67 . . . . 75.4 109.192 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.06 -176.24 2.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.276 -0.42 . . . . 43.13 110.529 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.775 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 89.64 -130.36 10.17 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.848 -0.691 . . . . 63.45 112.044 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 40.3 p -133.42 170.49 11.22 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 110.303 -0.258 . . . . 64.44 110.303 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 30.5 Cg_exo -62.86 -26.51 74.62 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.476 2.117 . . . . 73.41 112.395 174.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.0 -55.56 4.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.447 . . . . 74.04 110.616 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.0 tt -121.15 115.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.558 0.694 . . . . 73.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -105.32 128.53 53.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.599 -0.728 . . . . 75.31 111.872 -172.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.3 mp -103.83 126.95 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.356 -0.609 . . . . 75.55 109.356 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.681 ' HB2' HG13 ' A' ' 86' ' ' VAL . 91.2 mt -107.47 124.05 49.31 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.919 -0.4 . . . . 75.11 109.919 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.5 6.45 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.989 -1.1 . . . . 71.34 113.773 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.547 ' H ' HD12 ' A' ' 39' ' ' LEU . 21.1 ttm-85 -179.64 73.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.719 0.807 . . . . 64.33 109.323 170.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 5.5 mp -138.45 159.74 41.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.117 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -160.43 165.54 30.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.514 -0.55 . . . . 74.3 109.514 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 65.41 15.75 10.18 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.607 0.567 . . . . 63.42 111.399 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -89.54 -66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.009 -0.367 . . . . 72.31 110.009 -177.321 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 82' ' ' ALA . . . 91.86 -12.82 68.46 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.703 -0.76 . . . . 74.41 113.266 177.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.409 ' H ' HD12 ' A' ' 42' ' ' LEU . 40.3 m80 -127.93 98.36 27.64 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.962 0.381 . . . . 64.14 110.932 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 84' ' ' ASP . 5.9 Cg_exo -79.18 137.99 13.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.109 2.54 . . . . 73.12 112.158 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -118.55 -171.97 2.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.715 -0.476 . . . . 74.34 109.715 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.5 tt -124.58 86.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.927 0.87 . . . . 75.44 110.039 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 62.62 4.3 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.659 -0.781 . . . . 74.35 112.565 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.794 HD23 ' HD2' ' A' ' 66' ' ' LYS . 49.8 tp -71.76 109.79 5.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.236 0.541 . . . . 64.04 110.395 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -100.21 103.32 14.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.556 -0.747 . . . . 74.02 110.385 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.89 115.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.841 -0.618 . . . . 52.3 110.28 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.4 178.24 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 45.4 111.278 -176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.53 1.7 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.838 -0.619 . . . . 64.5 111.425 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.92 1.96 15.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.286 0.565 . . . . 73.3 110.174 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -109.93 -28.05 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.768 -0.827 . . . . 65.14 108.768 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 94' ' ' ALA . 8.0 p -128.38 153.48 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.507 -1.224 . . . . 63.13 108.78 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -99.17 -49.12 4.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.666 -0.414 . . . . 73.02 111.437 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.681 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 76.4 mtt180 -99.48 148.54 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.879 0.371 . . . . 74.31 111.031 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.83 85.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 72.03 110.398 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -61.11 -41.17 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 73.32 111.226 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.681 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 61.7 mt-10 -65.72 -36.82 84.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 75.25 110.209 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HB2' HG11 ' A' ' 56' ' ' VAL . 35.6 ttt180 -64.34 -50.27 68.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 72.03 110.592 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.6 -28.32 68.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.934 -0.576 . . . . 74.45 110.556 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 26.8 tpt180 -58.07 -46.69 85.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.621 -0.718 . . . . 65.53 110.268 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.0 mm -73.56 -34.16 41.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.978 -0.555 . . . . 73.44 110.553 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.794 ' HD2' HD23 ' A' ' 49' ' ' LEU . 23.5 mmmt -56.23 -51.58 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.662 -0.699 . . . . 75.13 112.076 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -80.33 -27.75 38.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.008 -0.277 . . . . 73.01 111.326 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.78 -52.38 64.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 61.13 110.005 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -67.28 -44.45 79.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 73.25 111.438 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 47' ' ' ILE . 21.9 ttt180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.6 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.3 -45.06 81.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 72.14 111.182 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.2 p -63.71 -33.24 75.2 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.313 -0.403 . . . . 71.03 111.836 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.9 -26.62 68.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 72.53 111.59 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -87.5 -9.43 54.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 74.43 111.088 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -107.99 -47.86 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 70.45 111.476 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 56.0 mtt85 -105.94 50.37 0.78 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.231 0.539 . . . . 72.05 110.813 -172.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -14.49 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.824 . . . . 75.32 111.945 -175.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -79.03 -18.67 53.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.96 -0.296 . . . . 73.1 111.324 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' HG3' ' CH2' ' A' ' 109' ' ' TRP . 19.5 mm-40 -97.0 24.4 6.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.404 . . . . 74.31 111.434 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' ' NE2' ' A' ' 112' ' ' HIS . 4.1 pp -137.97 149.92 65.69 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.466 -0.334 . . . . 71.25 110.851 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.545 ' HG2' ' HG2' ' A' ' 83' ' ' MET . 74.4 Cg_endo -76.97 164.94 29.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.655 2.237 . . . . 74.21 111.567 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 43' ' ' GLY . . . -77.51 61.78 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.373 0.606 . . . . 75.24 111.514 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.58 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 24.6 ptt? -132.72 167.33 20.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.744 -0.662 . . . . 63.4 109.369 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.529 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 45.5 t0 -85.83 157.72 20.14 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 123.144 0.278 . . . . 73.54 110.394 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -132.75 118.93 19.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.076 0.465 . . . . 74.42 111.614 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -103.25 124.43 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 64.13 109.581 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -117.73 113.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.124 -0.489 . . . . 71.45 110.32 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 123.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.857 0.361 . . . . 72.3 110.643 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.13 137.56 32.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.102 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.606 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.0 mmpt? -91.68 171.38 9.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.779 0.323 . . . . 65.01 110.797 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -67.4 118.77 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.99 -0.55 . . . . 75.54 110.15 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.82 -0.36 21.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.434 -0.889 . . . . 51.33 112.474 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.11 -18.88 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.303 0.573 . . . . 64.14 110.921 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.695 ' HB2' HG23 ' A' ' 56' ' ' VAL . . . -72.64 -22.56 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 53.42 111.574 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.74 72.97 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.196 0.522 . . . . 55.24 110.617 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -139.99 122.27 15.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 73.04 110.566 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 28.5 t70 -74.32 152.19 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.901 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -54.12 -36.46 63.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.092 -0.504 . . . . 73.31 111.811 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.3 -44.31 53.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 72.13 110.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.7 -16.45 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 62.14 111.778 -176.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 70.6 mt -55.97 -47.95 76.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.669 0.271 . . . . 75.34 111.026 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.9 t -72.36 -27.28 62.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.409 . . . . 63.13 110.567 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -70.82 -46.3 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 75.12 110.012 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.31 62.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 61.43 111.155 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 105' ' ' LEU . 2.5 tm? -63.19 -37.35 86.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 73.52 110.898 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.506 ' OE2' ' HD2' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -67.75 -20.37 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.876 -0.329 . . . . 71.24 110.684 -176.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.506 ' HD2' ' OE2' ' A' ' 106' ' ' GLU . 22.5 mmmt -65.96 -39.66 90.6 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.231 -0.655 . . . . 60.45 109.231 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.57 -40.6 80.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.444 -0.798 . . . . 74.34 110.126 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.499 ' CH2' ' HG3' ' A' ' 79' ' ' GLU . 47.2 t-105 -57.41 -52.1 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.11 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -62.74 -39.64 94.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 73.34 111.38 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.775 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 24.7 tpp180 -66.55 -46.08 77.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.094 0.473 . . . . 73.5 110.184 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . 0.541 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t-80 -63.84 -42.13 97.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.21 -0.904 . . . . 71.13 111.524 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.13 -33.9 77.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 64.35 111.436 -175.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -92.92 -14.35 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.783 0.29 . . . . 54.11 111.783 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.8 -42.9 97.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.982 0.42 . . . . 75.11 110.943 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.42 7.66 9.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 51.34 111.388 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -137.16 21.44 3.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.775 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.84 116.83 4.41 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.51 111.765 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.326 -0.845 . . . . 70.24 109.825 -179.593 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.706 0.289 . . . . 72.04 110.428 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.88 136.36 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.421 . . . . 73.34 110.309 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -144.92 -157.0 0.75 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.049 -0.352 . . . . 74.22 110.049 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.5 ' H ' HD22 ' A' ' 4' ' ' LEU . 2.8 mm? -63.56 -17.3 62.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.904 0.383 . . . . 73.44 111.528 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.04 149.74 47.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.567 -0.531 . . . . 64.22 109.567 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.614 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 82.1 m-85 -92.28 146.15 32.05 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.861 0.363 . . . . 74.41 110.816 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.04 -26.57 73.64 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.602 2.201 . . . . 72.21 112.196 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -96.07 11.67 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.069 0.461 . . . . 74.32 110.206 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 6' ' ' PHE . 20.7 tt0 -108.6 -18.11 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 71.41 111.04 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.43 25.64 0.5 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.213 0.53 . . . . 73.23 112.105 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -111.82 107.71 16.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.98 0.419 . . . . 72.22 110.396 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD13 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.5 162.3 36.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.899 -0.591 . . . . 65.33 110.017 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.92 138.11 51.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.519 -0.309 . . . . 71.23 110.41 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.9 p 60.27 164.13 0.1 OUTLIER Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.248 1.019 . . . . 73.04 112.321 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.16 91.89 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.246 1.964 . . . . 44.15 112.114 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 t -139.31 116.78 11.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.502 . . . . 71.22 110.464 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -99.07 -14.13 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.943 -0.571 . . . . 75.1 109.507 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' HD1' HG21 ' A' ' 86' ' ' VAL . 85.5 t80 -60.14 -52.68 64.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 75.02 110.891 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -74.3 -16.48 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.197 0.522 . . . . 63.22 110.844 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -82.72 -42.31 18.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.275 -0.421 . . . . 71.24 110.432 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.37 -18.85 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.987 0.422 . . . . 72.12 110.34 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.28 -12.99 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.607 . . . . 73.43 111.127 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.74 -36.04 82.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.184 0.516 . . . . 73.23 110.109 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -153.88 81.47 4.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.063 -0.717 . . . . 73.12 109.063 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -85.94 122.54 2.25 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.652 2.235 . . . . 73.14 112.581 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -99.44 114.28 27.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.534 -0.543 . . . . 71.23 109.534 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -88.07 109.6 19.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.639 . . . . 71.13 109.865 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.96 13.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 61.43 110.335 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.18 -159.9 27.96 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.681 -0.771 . . . . 63.45 112.275 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.504 HG22 ' HD2' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -74.25 145.32 82.83 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.451 0.3 . . . . 63.02 110.357 -179.143 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' HD2' HG22 ' A' ' 30' ' ' THR . 28.4 Cg_exo -62.89 -45.44 13.16 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.62 2.213 . . . . 74.35 112.692 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.629 HE21 HD11 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -59.46 -47.01 87.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.979 0.419 . . . . 73.23 111.154 -178.378 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 tt -108.73 94.83 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 63.45 109.287 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -85.79 109.49 18.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.717 -0.674 . . . . 73.52 111.825 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.77 106.14 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 74.14 109.827 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.96 111.78 23.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 74.14 109.525 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.66 164.79 20.96 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.274 -0.965 . . . . 62.14 112.553 -177.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -151.67 139.6 20.0 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.712 -0.477 . . . . 73.34 109.712 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.3 tp -83.48 88.24 7.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.289 -0.634 . . . . 70.03 109.289 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -102.72 170.12 8.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 64.04 110.237 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -74.37 -13.27 60.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 74.32 110.315 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.79 -59.83 2.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 75.03 110.044 173.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.558 ' HA3' ' HB1' ' A' ' 82' ' ' ALA . . . 58.17 54.1 40.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.133 -0.555 . . . . 64.11 112.059 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 82.4 t60 -95.33 101.97 8.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.239 . . . . 75.0 110.382 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.6 Cg_exo -72.67 89.54 0.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.847 2.365 . . . . 74.44 112.032 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.497 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -153.48 142.45 21.23 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.103 -0.703 . . . . 72.23 109.103 177.326 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.487 HD11 ' HB ' ' A' ' 69' ' ' THR . 13.7 tt -87.25 136.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.067 0.46 . . . . 54.34 110.863 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.84 99.39 0.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.941 -0.647 . . . . 64.32 111.504 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 69' ' ' THR . 59.9 tp -87.53 109.51 19.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.181 0.515 . . . . 73.31 111.245 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -103.24 87.17 2.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.11 -0.7 . . . . 75.33 109.11 174.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 p -94.62 120.17 43.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.591 -0.731 . . . . 53.43 110.924 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.74 116.84 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.943 -0.571 . . . . 43.15 109.701 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -65.66 -12.75 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 63.21 111.829 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -11.38 49.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.771 0.319 . . . . 75.35 110.757 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -93.72 -9.88 36.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 62.32 110.981 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 62' ' ' ARG . 44.2 t -100.69 151.69 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.943 -0.571 . . . . 70.53 110.012 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HG2' ' HG2' ' A' ' 58' ' ' ARG . 62.4 ttt-85 -56.83 -64.57 0.83 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.484 0.49 . . . . 63.21 111.94 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HG2' ' HG2' ' A' ' 57' ' ' ARG . 28.0 mmt180 -137.88 -69.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.076 0.398 . . . . 72.43 112.076 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.01 -50.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.505 -0.316 . . . . 71.13 111.332 -171.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.26 -30.98 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.449 0.642 . . . . 72.12 109.951 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . 20.4 mp0 -76.64 -24.97 53.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.009 -0.996 . . . . 73.31 110.38 -176.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.578 ' HB2' HG11 ' A' ' 56' ' ' VAL . 38.3 ttp180 -76.07 -35.82 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.556 . . . . 72.01 110.501 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.35 -30.9 69.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 72.34 110.085 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.8 -37.11 80.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 72.0 110.111 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.36 -40.44 82.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.928 -0.578 . . . . 74.01 110.462 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.42 -27.41 68.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 74.41 110.71 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -74.3 -52.95 10.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 72.21 110.612 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.99 -50.77 65.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.002 -0.544 . . . . 70.14 110.731 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.547 HG21 HD13 ' A' ' 49' ' ' LEU . 13.6 p -62.67 -54.87 32.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 62.02 112.035 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -78.61 9.97 3.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.747 0.647 . . . . 74.23 112.747 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -111.25 -45.53 3.41 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.872 -0.418 . . . . 62.54 109.872 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 p -68.91 -48.25 63.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 74.54 110.9 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.35 15.78 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 72.15 111.129 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -111.25 -32.04 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.085 0.469 . . . . 65.02 109.882 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.06 -30.15 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 62.22 109.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 4.4 mmp_? -110.31 142.46 41.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.875 -0.787 . . . . 64.23 108.875 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 177.98 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 72.42 111.191 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.3 -36.75 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.696 . . . . 72.43 110.642 -173.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -72.07 -23.96 61.43 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.512 -177.451 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.8 pp -91.27 146.98 34.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.739 0.304 . . . . 75.55 110.535 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 3.3 Cg_exo -81.76 -164.63 0.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.088 2.525 . . . . 73.0 111.782 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.558 ' HB1' ' HA3' ' A' ' 43' ' ' GLY . . . -63.92 111.12 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.834 0.349 . . . . 75.53 110.93 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.9 ttm -148.79 111.81 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.269 -0.423 . . . . 64.33 110.502 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HB3' ' H ' ' A' ' 44' ' ' HIS . 4.9 p-10 -95.56 138.2 33.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.623 -0.51 . . . . 72.21 109.623 173.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.8 169.12 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.3 111.064 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.568 HG21 ' HD1' ' A' ' 18' ' ' PHE . 9.1 p -132.26 141.23 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.688 -0.687 . . . . 74.33 109.758 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.59 121.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.274 -0.269 . . . . 72.13 110.274 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.88 131.73 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 71.44 110.412 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.4 125.31 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 71.51 111.213 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.07 179.58 6.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.901 -0.591 . . . . 64.31 110.216 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -84.16 128.33 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.89 0.376 . . . . 71.34 110.659 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.88 -11.72 24.97 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.912 -0.661 . . . . 42.51 112.029 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -22.7 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 53.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -87.95 15.06 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.883 -0.599 . . . . 60.25 111.734 -176.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.35 -8.89 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.459 . . . . 73.14 110.821 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.629 HD11 HE21 ' A' ' 32' ' ' GLN . 90.9 mt -77.42 133.34 38.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.16 -0.473 . . . . 75.0 110.621 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.45 -179.66 6.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.167 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' HG ' ' A' ' 101' ' ' LEU . 3.8 m-20 -61.57 -36.31 80.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.585 -0.279 . . . . 74.3 111.471 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.602 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 4.4 tpm_? -62.44 -50.81 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.699 -0.482 . . . . 73.55 109.699 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.53 -49.65 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 72.43 111.653 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 98' ' ' ASN . 4.6 pp -70.04 -25.17 63.44 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.822 -0.351 . . . . 65.51 111.228 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t -72.71 -36.29 67.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.046 0.451 . . . . 74.23 109.948 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 13.7 mm-40 -74.02 -41.0 62.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 176.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -63.25 -23.99 67.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.712 -0.676 . . . . 42.43 111.199 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.18 -45.18 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 62.41 110.524 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -20.84 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 75.01 110.349 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.776 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.7 mmmt -66.58 -54.28 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.697 -0.483 . . . . 73.1 109.697 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 109' ' ' TRP . 4.0 pp -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 62.53 111.349 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TRP . . . . . 0.409 ' N ' HD12 ' A' ' 108' ' ' LEU . 37.0 t-105 -65.78 -58.68 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 72.14 110.886 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.13 -23.59 65.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 45.21 110.657 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 4.7 tpp180 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.345 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.76 -21.43 28.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.2 t -58.13 -46.79 85.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 75.04 110.414 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -87.68 5.55 39.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.074 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.21 -45.49 4.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.949 0.404 . . . . 72.34 110.158 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.55 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 74.25 110.794 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.68 86.2 2.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.177 0.513 . . . . 54.24 109.825 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.92 -162.71 30.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.484 -0.78 . . . . 73.41 111.395 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.755 -0.641 . . . . 74.1 110.771 -177.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.081 0 CA-C-O 120.243 0.068 . . . . 72.2 111.104 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.26 -40.33 97.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.162 0.506 . . . . 73.14 110.278 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 23.9 m -72.55 -44.68 61.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.942 -0.572 . . . . 62.42 110.06 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -58.58 -44.28 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.407 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.89 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 9.4 p -69.73 -37.75 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.573 0.225 . . . . 72.13 110.917 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -72.92 -21.19 60.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.551 -0.295 . . . . 71.51 111.351 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.6 mm100 -70.32 -48.36 56.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.603 0.24 . . . . 73.23 110.74 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.54 79.66 24.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-O 121.191 0.519 . . . . 63.1 110.977 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.545 ' HB2' HD12 ' A' ' 36' ' ' LEU . 95.6 Cg_endo -98.84 128.2 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 123.141 2.561 . . . . 75.13 112.61 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.32 106.86 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.497 -0.557 . . . . 73.33 109.497 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -77.51 115.15 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 75.1 110.674 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' HB3' ' ND1' ' A' ' 112' ' ' HIS . . . -148.04 101.11 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.776 -0.647 . . . . 65.35 110.147 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.62 177.79 40.9 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.894 -0.594 . . . . 65.22 111.824 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.428 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -65.63 140.58 97.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 122.334 0.254 . . . . 74.42 110.342 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 10.7 Cg_endo -53.87 -22.99 25.69 Favored 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 123.343 2.695 . . . . 65.42 113.799 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -97.19 -4.27 39.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 73.33 111.649 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 tt -152.39 100.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.601 0.715 . . . . 74.42 109.425 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.5 m -90.66 107.05 18.92 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.748 -0.66 . . . . 74.33 111.943 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.2 mp -87.38 105.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.346 -0.612 . . . . 64.11 109.346 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -85.32 158.65 20.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 63.23 110.414 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.5 117.01 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.727 -0.749 . . . . 44.34 111.979 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.89 ' HD2' ' HA ' ' A' ' 21' ' ' VAL . 3.8 tpm_? -100.15 112.63 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.229 -0.285 . . . . 74.55 110.229 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -69.37 94.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 74.04 109.833 177.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -152.14 104.38 2.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.559 -0.746 . . . . 73.11 110.121 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 t -82.12 83.81 7.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.493 0.663 . . . . 63.13 109.608 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -94.13 -36.27 12.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.443 -0.798 . . . . 74.13 109.343 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.18 54.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.832 -0.699 . . . . 75.21 111.441 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -119.35 95.55 49.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.66 -0.496 . . . . 71.12 109.66 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 1.1 Cg_endo -82.17 117.44 2.84 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.984 2.456 . . . . 52.11 111.563 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HE ' ' HB2' ' A' ' 46' ' ' ARG . 4.6 ptm180 -127.32 152.25 47.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.451 -0.34 . . . . 74.12 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -110.04 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.631 . . . . 71.41 109.688 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.08 70.46 0.21 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.399 -0.905 . . . . 61.52 112.414 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' A' ' 66' ' ' LYS . 60.6 tp -69.53 114.17 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.492 . . . . 54.12 110.759 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 m -108.78 129.87 55.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.508 -0.769 . . . . 73.34 109.774 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.4 138.9 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 32.51 110.57 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.89 157.77 15.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.53 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.51 -16.26 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.294 0.569 . . . . 74.14 110.742 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.509 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 19.7 ptmt -83.89 -21.76 31.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 63.12 110.469 176.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.509 ' OD1' ' HG3' ' A' ' 54' ' ' LYS . 4.1 m-20 -84.11 -51.33 7.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.542 . . . . 64.55 110.039 -177.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -111.97 99.53 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.858 -0.794 . . . . 65.33 108.858 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 26.3 tpt180 -82.36 -20.63 36.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.94 -0.573 . . . . 71.32 111.583 -172.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 58' ' ' ARG . 13.8 tpt180 -86.99 112.25 21.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.743 -0.466 . . . . 73.31 109.743 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.59 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.691 -0.686 . . . . 50.23 112.792 -173.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.22 -33.47 73.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.852 0.358 . . . . 72.31 111.27 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.529 ' O ' HG12 ' A' ' 65' ' ' ILE . 24.4 mm-40 -76.91 -11.82 59.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.499 -0.318 . . . . 71.34 110.858 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -61.73 -43.8 98.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.067 -0.716 . . . . 71.25 109.067 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.56 -31.88 71.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.119 -0.946 . . . . 65.12 109.634 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 14.9 tpp180 -62.12 -44.55 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.472 -0.785 . . . . 73.14 110.373 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 61' ' ' GLU . 50.1 mm -65.05 -45.33 94.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.809 -0.632 . . . . 73.22 111.081 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.637 ' HG2' HD23 ' A' ' 49' ' ' LEU . 36.8 mtmt -69.2 -29.96 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.714 0.292 . . . . 61.44 110.756 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -60.25 -59.53 5.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.02 0.438 . . . . 52.33 110.17 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -49.72 67.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.084 -0.962 . . . . 72.25 110.92 -174.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.422 ' OG1' HD22 ' A' ' 49' ' ' LEU . 17.0 p -68.14 -57.68 5.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.472 . . . . 74.04 111.96 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.94 -37.7 88.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.555 -0.293 . . . . 64.35 111.689 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 1.2 tt0 -70.61 -26.13 63.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 73.03 110.66 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.1 m -75.57 -42.69 51.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.817 0.341 . . . . 54.21 110.372 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.75 -17.63 64.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 72.42 111.77 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 7.2 ptm180 -89.76 -13.48 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 61.34 110.828 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -110.17 -23.12 11.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.94 0.4 . . . . 72.13 111.189 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.03 40.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.272 0.558 . . . . 73.14 109.978 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.19 -17.04 63.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.278 -0.874 . . . . 72.2 111.462 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -77.19 -38.45 51.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.285 0.564 . . . . 70.43 110.584 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -82.28 -36.8 26.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 72.12 111.704 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.0 pp -84.27 140.66 39.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.372 . . . . 60.43 111.559 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 1.7 Cg_endo -85.76 174.51 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.5 2.8 . . . . 74.23 112.02 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . . . -86.69 71.25 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.229 0.538 . . . . 74.04 111.05 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 66.5 mtt -127.89 -176.27 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.666 -0.697 . . . . 70.42 110.513 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -96.14 120.92 37.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.964 -0.562 . . . . 75.14 109.737 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -122.94 88.94 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.357 0.599 . . . . 73.21 111.233 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.438 ' CG2' HG11 ' A' ' 21' ' ' VAL . 78.2 t -86.71 104.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.759 -0.655 . . . . 74.42 109.555 172.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 61.7 t -91.99 130.81 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.799 -0.637 . . . . 61.22 109.984 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.57 107.15 22.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.054 0.454 . . . . 44.3 110.49 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -72.43 123.86 23.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.605 . . . . 74.3 109.769 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.571 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 10.8 mmpt? -85.64 172.51 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.978 0.418 . . . . 74.32 110.421 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.72 105.89 6.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.829 -0.804 . . . . 75.3 108.829 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.18 -20.61 2.1 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.587 -0.816 . . . . 72.05 112.556 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 89' ' ' ALA . 13.5 p -65.05 -27.63 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.27 0.557 . . . . 74.24 110.915 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.46 14.35 13.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 54.41 111.054 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.09 -9.21 31.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.526 0.679 . . . . 74.55 109.617 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.12 171.95 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.327 -0.851 . . . . 63.22 111.686 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 15.9 t70 -89.71 158.61 17.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 74.33 109.293 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -56.54 -34.65 67.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.249 0.547 . . . . 74.03 110.477 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 18.4 ttp180 -68.43 -45.0 73.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.665 . . . . 71.12 110.154 175.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.1 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.589 -0.732 . . . . 54.31 111.832 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.2 mt -61.41 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.03 0.443 . . . . 50.44 110.145 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.6 m -72.84 -31.06 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 62.14 110.324 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 11.3 mm-40 -66.54 -29.83 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 73.11 111.16 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.4 -13.27 38.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 73.33 111.071 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.13 -51.76 65.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.537 . . . . 75.11 110.932 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.535 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -65.29 -25.29 67.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.497 -0.32 . . . . 73.53 110.706 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.535 ' HD2' ' OE1' ' A' ' 106' ' ' GLU . 28.6 mmmt -66.17 -52.54 47.27 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.319 -0.4 . . . . 74.43 110.189 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.406 ' HB2' HD13 ' A' ' 35' ' ' ILE . 4.3 pp -73.76 -31.61 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 64.32 110.898 -178.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -60.82 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.474 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.38 -37.39 85.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 54.32 110.815 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -55.1 -53.67 52.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 74.54 111.202 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.445 ' ND1' ' HB3' ' A' ' 28' ' ' ALA . 2.2 t60 -80.45 -27.25 37.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.629 -0.428 . . . . 72.33 110.668 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 49.6 t -63.27 -42.34 99.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 64.32 110.349 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.04 -34.74 75.34 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.413 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.8 tp -81.27 -31.37 33.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.887 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.42 -23.98 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.994 0.426 . . . . 73.45 111.034 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 25.4 mmm180 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 44.3 110.134 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.409 HE21 ' CG ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 N-CA-C 109.827 -0.435 . . . . 64.53 109.827 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -73.99 -20.19 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.939 -0.573 . . . . 72.11 110.735 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -85.01 -39.59 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.32 0.581 . . . . 72.22 109.661 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.11 -35.63 76.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 71.24 110.899 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.793 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 7.3 p -70.97 -18.54 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.12 111.37 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -75.19 -23.49 57.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.379 -0.373 . . . . 65.22 111.27 -175.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.45 -68.41 0.3 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.014 0.435 . . . . 64.22 110.927 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.622 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 53.3 tt0 -151.34 88.07 4.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.947 -0.569 . . . . 55.31 109.498 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.518 ' HB3' HG22 ' A' ' 21' ' ' VAL . 92.9 Cg_endo -83.54 148.58 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.808 2.339 . . . . 73.44 113.319 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -74.54 110.11 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.855 -0.794 . . . . 64.45 108.855 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 27' ' ' ARG . 21.7 ttm180 -74.2 101.03 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.417 0.448 . . . . 73.4 110.463 -176.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -107.95 147.12 31.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.335 -0.393 . . . . 74.31 110.353 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.455 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 97.14 -131.36 10.58 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.505 -0.855 . . . . 4.42 112.607 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -133.9 168.89 15.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.058 -0.349 . . . . 61.21 110.058 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 43.3 Cg_endo -69.98 0.13 6.26 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 74.01 112.548 174.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.41 -49.59 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.472 0.654 . . . . 42.42 109.461 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -120.54 99.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.644 0.735 . . . . 73.22 109.088 172.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 m -101.8 112.66 25.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.354 -0.839 . . . . 74.12 111.459 -172.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.597 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 4.6 mp -92.58 115.09 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.207 -0.664 . . . . 63.45 109.207 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.692 ' HB2' HG13 ' A' ' 86' ' ' VAL . 83.8 mt -96.32 119.63 35.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.372 . . . . 73.44 110.228 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.81 136.71 13.19 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.272 -0.965 . . . . 73.34 112.969 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.793 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mmm180 -143.97 112.74 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.238 -0.282 . . . . 74.33 110.238 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.29 125.92 27.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.093 -0.503 . . . . 64.54 110.409 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -126.17 146.74 49.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.63 32.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 73.43 112.627 -173.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -107.01 -20.22 13.38 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.057 -0.349 . . . . 64.02 110.057 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.4 25.44 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 111.31 -0.716 . . . . 72.41 111.31 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HD2' ' OD2' ' A' ' 84' ' ' ASP . 30.6 t60 -106.66 104.05 49.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.623 0.249 . . . . 71.43 110.509 -171.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -88.72 95.82 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.483 2.122 . . . . 72.53 112.841 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 21.3 mmt180 -141.96 167.61 21.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.966 -0.561 . . . . 74.52 110.456 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 tt -122.02 137.43 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 75.43 109.543 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.6 77.85 0.36 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.549 -0.834 . . . . 64.32 112.201 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -70.89 108.14 4.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.035 0.445 . . . . 54.41 110.36 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -98.97 111.01 23.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.825 -0.625 . . . . 73.21 110.485 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.754 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 30.6 m -128.65 135.62 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.073 -0.512 . . . . 73.42 110.783 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.97 146.14 23.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.693 -0.484 . . . . 64.24 109.693 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.27 5.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.485 0.55 . . . . 64.42 112.485 -174.203 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -101.96 -31.37 10.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.118 -0.233 . . . . 75.05 111.048 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 6.7 p-10 -105.44 -28.05 11.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 63.25 110.867 -178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.754 ' HB ' ' HB ' ' A' ' 51' ' ' VAL . 52.1 t -136.64 98.67 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 172.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -118.78 -33.09 4.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.426 0.528 . . . . 73.44 112.426 -167.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.717 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 60.3 mtt180 -85.39 148.41 26.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.759 0.314 . . . . 75.14 110.654 -174.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.4 87.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 60.0 110.387 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.98 -31.87 71.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.736 -0.666 . . . . 75.13 110.636 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.717 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 55.2 mt-10 -73.63 -44.7 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 70.55 110.151 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.01 -12.24 60.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.384 -0.371 . . . . 65.15 111.596 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -84.0 -48.98 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.414 -0.588 . . . . 71.34 109.414 170.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -54.62 -51.44 65.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.874 -1.057 . . . . 75.24 111.899 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 61' ' ' GLU . 35.8 mm -66.42 -28.25 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 75.22 110.974 -175.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 50.9 mttp -66.35 -46.41 76.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.693 0.283 . . . . 72.05 110.936 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -65.87 -32.1 73.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.848 0.356 . . . . 71.32 110.63 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.55 -45.7 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.957 -0.565 . . . . 44.11 110.045 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -81.63 -51.96 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.287 0.477 . . . . 61.14 112.287 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -66.84 -31.31 71.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.021 0.378 . . . . 62.43 112.021 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -65.57 -35.66 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.525 -0.546 . . . . 74.54 109.525 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -70.38 -33.91 71.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.839 -0.618 . . . . 55.04 110.376 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.597 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 45.1 m-85 -93.32 17.31 11.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 72.31 111.201 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -128.52 -50.21 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 61.54 110.362 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.21 -26.38 42.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.932 -0.576 . . . . 65.21 111.101 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.3 44.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.265 0.555 . . . . 72.3 109.593 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' CD ' ' H ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -76.27 -29.79 57.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.114 -0.948 . . . . 54.03 112.831 -170.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -84.27 22.55 1.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.046 0.45 . . . . 75.5 111.276 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -143.96 30.15 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.552 -0.749 . . . . 64.01 109.926 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.9 pp -145.01 154.65 54.99 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.098 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.7 Cg_endo -86.15 163.55 10.02 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.214 2.61 . . . . 64.45 112.044 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.59 88.39 7.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 64.2 110.977 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -151.74 163.74 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.934 -0.576 . . . . 74.31 110.375 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 6.8 m-20 -73.6 118.59 16.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.303 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -91.75 93.83 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.314 -0.403 . . . . 74.31 110.642 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.9 p -84.56 112.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.581 0.705 . . . . 55.04 109.773 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.7 114.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 72.35 110.233 -176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.3 108.04 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.351 -0.386 . . . . 54.13 110.007 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB1' HG21 ' A' ' 93' ' ' VAL . . . -87.68 113.99 23.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.037 -0.528 . . . . 51.35 110.188 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.2 mmpt? -85.26 173.03 10.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 70.5 110.192 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 20.3 pttp -68.37 113.2 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.372 0.606 . . . . 60.12 110.541 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.521 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 143.11 -31.26 1.97 Allowed Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.549 -0.75 . . . . 72.33 112.415 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.548 HG21 ' HB1' ' A' ' 89' ' ' ALA . 35.5 m -60.97 -30.51 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.71 0.291 . . . . 73.13 111.683 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.93 -4.23 56.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 63.22 110.814 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.63 -29.49 13.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.507 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 97.4 mt -53.95 137.35 39.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.664 -0.698 . . . . 74.21 111.454 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.569 ' OD2' ' HG2' ' A' ' 99' ' ' ARG . 24.5 t70 -76.06 168.95 19.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.717 -0.674 . . . . 74.44 110.327 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -56.06 -40.42 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.328 . . . . 64.25 110.835 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.569 ' HG2' ' OD2' ' A' ' 97' ' ' ASP . 30.0 ptt180 -75.32 -30.23 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.909 0.385 . . . . 65.43 110.702 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.79 74.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.912 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.01 -26.1 61.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.318 . . . . 62.34 110.402 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.0 t -68.67 -37.97 80.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.686 -0.487 . . . . 62.31 109.686 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -80.29 7.46 9.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 74.44 110.942 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.593 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -115.04 -35.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.098 -0.501 . . . . 64.54 110.421 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.1 -45.49 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 64.02 111.477 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -72.18 -16.07 61.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.951 -0.3 . . . . 55.13 111.101 -175.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.7 mmmt -73.97 -35.05 64.46 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.41 -0.589 . . . . 71.23 109.41 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 104' ' ' ALA . 1.8 mm? -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.038 -0.528 . . . . 64.01 110.236 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.594 . . . . 74.35 112.122 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.6 mtt-85 -65.9 -42.27 90.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.654 -0.418 . . . . 72.03 110.254 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 22.1 tpp180 -69.87 -39.17 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.705 -0.48 . . . . 74.24 109.705 175.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 25.9 t60 -54.88 -46.34 74.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.474 -0.785 . . . . 74.41 111.056 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 7.4 t -73.02 -24.83 60.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 63.45 111.299 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -88.55 -38.56 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 52.41 111.702 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 28' ' ' ALA . 47.9 tp -66.14 -43.56 86.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.409 . . . . 74.31 111.741 -174.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.19 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.177 0.436 . . . . 73.45 112.177 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 . . . . . 0 C--N 1.324 -0.542 0 CA-C-O 120.759 0.314 . . . . 73.22 110.854 -178.874 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' NE2' ' HB3' ' A' ' 84' ' ' ASP . 18.4 mt-30 . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 120.193 0.044 . . . . 62.24 111.094 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -52.76 -38.07 60.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.293 0.37 . . . . 71.53 111.518 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -77.06 -30.49 55.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 52.53 111.049 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -82.67 -43.16 17.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.071 0.462 . . . . 75.1 110.914 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.575 HG22 ' HB3' ' A' ' 25' ' ' PRO . 9.5 p -70.11 -19.3 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.564 . . . . 73.23 110.219 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.13 -23.79 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 71.44 110.36 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -81.59 -63.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 73.54 110.106 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -140.0 101.87 6.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.604 . . . . 71.44 110.553 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.575 ' HB3' HG22 ' A' ' 21' ' ' VAL . 65.7 Cg_endo -96.64 156.68 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.478 2.785 . . . . 62.33 113.389 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -83.68 98.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.825 -1.176 . . . . 74.11 107.825 167.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -73.54 113.84 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.653 -172.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.31 -176.48 3.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.676 -0.693 . . . . 74.01 110.166 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.11 -145.76 17.8 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.683 -0.77 . . . . 70.35 112.301 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.0 p -138.14 170.59 10.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.129 -0.323 . . . . 70.4 110.129 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 34.6 Cg_exo -62.27 -16.68 52.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.588 2.192 . . . . 33.44 112.606 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -85.16 -40.64 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.046 0.45 . . . . 73.41 110.411 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.503 HD13 HD21 ' A' ' 108' ' ' LEU . 11.4 tt -144.76 119.33 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.794 -0.639 . . . . 62.21 110.012 -177.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 m -102.37 132.52 48.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.934 -0.576 . . . . 72.34 111.446 -172.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 87' ' ' VAL . 3.0 mp -110.81 123.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.917 0.389 . . . . 74.23 110.228 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 111.8 24.03 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.313 -0.625 . . . . 64.45 109.313 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.471 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -109.77 138.65 14.96 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.193 -1.003 . . . . 64.35 114.046 -174.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 21.5 mmt180 -147.99 156.94 43.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.427 -0.953 . . . . 75.21 108.427 169.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -122.52 136.24 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.302 0.572 . . . . 61.22 111.823 -171.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -157.68 134.03 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 74.23 108.7 173.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 t -79.95 82.05 6.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.276 0.56 . . . . 71.04 109.933 -178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.1 tp -99.61 -12.86 19.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 73.31 110.301 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.87 -75.42 2.37 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.722 -0.672 . . . . 74.32 111.816 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.417 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 1.5 p80 -86.88 116.03 64.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 73.21 110.198 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 76.1 Cg_endo -90.51 173.75 3.09 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.107 2.538 . . . . 62.11 113.772 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.524 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 3.0 mmp_? -123.91 174.88 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.473 -0.936 . . . . 64.32 108.473 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 47' ' ' ILE . 11.2 tt -135.45 103.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.741 0.781 . . . . 74.4 110.175 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.72 134.59 13.52 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.484 -0.78 . . . . 73.32 111.769 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 51' ' ' VAL . 41.1 tp -143.54 89.17 2.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.126 0.489 . . . . 44.25 110.037 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -89.45 91.03 8.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 40.53 110.211 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' HG ' ' A' ' 49' ' ' LEU . 83.9 t -96.65 111.86 27.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.528 -0.76 . . . . 53.34 109.959 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HB1' ' HG2' ' A' ' 54' ' ' LYS . . . -78.18 126.12 30.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.258 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -77.91 4.83 11.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.132 0.491 . . . . 74.23 110.894 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG2' ' HB1' ' A' ' 52' ' ' ALA . 21.6 ptmt -93.6 -21.42 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 74.33 110.261 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 33.7 p30 -116.07 -26.35 7.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.377 -0.374 . . . . 61.44 110.775 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 94' ' ' ALA . 45.8 t -122.5 85.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.507 0.67 . . . . 64.2 109.2 171.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -101.42 41.36 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.715 0.769 . . . . 73.41 109.64 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.608 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 3.1 mmp_? -108.84 162.69 13.95 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.793 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.45 -58.45 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.022 0.439 . . . . 74.45 111.445 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -92.1 -24.65 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.328 0.585 . . . . 73.44 109.867 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.608 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 22.0 mp0 -69.81 -26.69 64.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.314 -0.857 . . . . 70.33 109.16 175.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.14 -0.936 . . . . 71.04 108.859 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.416 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 86.1 m-20 -71.75 -32.27 67.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.315 -0.857 . . . . 73.44 110.368 177.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -59.14 -50.22 74.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.703 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -63.35 -38.55 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.348 0.594 . . . . 72.41 110.242 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 63' ' ' ASN . 37.0 ttpt -67.69 -39.26 84.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 62.01 111.531 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -80.98 -37.22 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.485 -0.325 . . . . 74.41 111.607 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -46.54 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.984 -0.376 . . . . 53.32 109.984 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 p -65.15 -48.18 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 71.25 111.388 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -64.01 -33.14 75.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 75.42 111.798 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.01 -57.91 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.496 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 17.5 p -64.66 -41.01 96.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 72.25 111.812 -175.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -55.11 -47.22 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.348 -0.387 . . . . 54.25 111.533 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 50.7 ttt180 -89.11 -21.06 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.358 -0.383 . . . . 55.33 111.173 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.08 -26.88 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 51.51 110.402 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 72' ' ' SER . 7.7 mmm180 -109.34 23.95 13.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 71.42 109.936 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 tp60 -68.82 -3.26 11.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.099 -0.5 . . . . 73.23 112.182 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -88.46 -27.54 21.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.919 0.39 . . . . 72.11 110.276 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -112.09 -13.3 13.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.882 -0.599 . . . . 74.03 110.152 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tt -105.23 111.53 65.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.724 -0.671 . . . . 72.23 109.232 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.12 139.35 89.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.882 2.388 . . . . 72.11 112.524 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.6 97.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.641 . . . . 74.33 111.282 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -154.05 162.46 41.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.696 . . . . 73.44 109.642 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.524 ' OD1' ' HB2' ' A' ' 46' ' ' ARG . 11.6 t70 -77.93 143.9 37.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.418 . . . . 74.45 111.955 -172.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.471 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 80.3 m-85 -141.38 139.49 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 75.15 109.602 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.61 111.53 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.023 0.44 . . . . 64.32 110.782 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.49 HG22 HG13 ' A' ' 35' ' ' ILE . 54.6 t -96.96 130.7 45.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.116 -0.493 . . . . 53.41 110.249 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 63.1 t -116.49 129.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.491 -0.322 . . . . 74.25 110.16 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.03 129.95 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.837 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -99.07 172.02 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.977 -0.556 . . . . 73.42 110.089 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 18.5 pttp -82.55 59.12 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.387 0.613 . . . . 74.3 111.331 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -164.41 14.64 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.567 -0.742 . . . . 74.25 112.382 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.54 5.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 121.252 0.549 . . . . 74.02 110.455 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.512 ' HB2' HG22 ' A' ' 56' ' ' VAL . . . -81.56 -30.65 32.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.273 0.559 . . . . 72.14 110.659 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -116.55 106.59 13.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.536 -0.756 . . . . 62.42 109.757 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.2 158.25 42.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.148 0.499 . . . . 72.34 111.932 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.83 162.4 14.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.394 -0.821 . . . . 75.44 109.921 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -62.07 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.738 -0.21 . . . . 70.23 111.478 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.88 -29.35 19.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 71.33 110.418 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.99 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 43.31 111.168 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.63 -24.39 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 74.22 110.861 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -79.69 -36.89 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.709 -0.478 . . . . 75.11 109.709 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.37 -44.61 94.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 74.15 110.287 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -73.53 -23.05 59.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.906 -0.588 . . . . 73.14 110.994 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.71 -43.89 90.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 74.4 110.61 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.502 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -71.29 -25.76 62.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.669 -0.412 . . . . 73.02 110.405 -177.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.502 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.502 . . . . 62.22 109.981 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 11.2 mp -74.53 -8.45 56.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.525 -0.761 . . . . 73.21 111.437 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -108.1 -45.79 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.336 . . . . 64.51 111.124 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 12.3 ttt180 -60.25 -48.02 83.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.459 -0.337 . . . . 63.11 111.086 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.93 -18.54 60.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.385 0.612 . . . . 74.45 110.182 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.1 t-160 -81.09 -47.88 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 74.45 110.621 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.28 -44.56 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 53.24 111.61 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.79 -19.94 64.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.888 0.375 . . . . 72.2 111.316 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -100.36 -46.26 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.781 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.74 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.372 0.508 . . . . 55.32 112.372 -173.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 120.614 0.245 . . . . 74.03 111.57 -179.77 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.225 0 CA-C-O 120.659 0.266 . . . . 74.34 110.851 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -56.7 -24.93 52.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.69 -0.686 . . . . 72.13 112.165 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -89.06 -36.63 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 64.24 110.867 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -80.45 -48.82 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 71.23 112.086 -176.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 17' ' ' GLN . 17.3 m -73.41 -5.64 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 73.12 110.96 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -89.12 -17.89 28.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.146 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.65 -52.36 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.061 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -120.4 80.0 29.2 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.09 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HB2' HD12 ' A' ' 36' ' ' LEU . 90.3 Cg_endo -94.89 140.7 1.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.154 2.57 . . . . 50.3 113.012 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -104.83 139.35 39.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 74.23 109.948 171.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HG2' HG23 ' A' ' 34' ' ' THR . 4.2 tmm_? -87.14 100.15 12.45 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.386 -0.598 . . . . 73.42 109.386 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.25 144.89 30.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.466 . . . . 53.11 111.497 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 108' ' ' LEU . . . 89.21 -104.67 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.852 -0.613 . . . . 73.44 113.309 173.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.494 HG21 ' HB1' ' A' ' 104' ' ' ALA . 17.7 p -128.33 163.3 45.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.336 0.112 . . . . 75.01 111.132 -175.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -87.22 -10.29 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.816 2.344 . . . . 70.14 113.086 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -89.35 -35.38 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.123 0.487 . . . . 73.03 110.207 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tt -129.19 108.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.429 -0.952 . . . . 72.1 108.429 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 27' ' ' ARG . 7.1 m -96.1 123.95 39.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 73.24 112.04 -167.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.588 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 3.6 mp -99.98 119.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.294 -0.632 . . . . 72.2 109.294 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.642 ' HB2' HG13 ' A' ' 86' ' ' VAL . 2.9 mm? -106.65 135.72 47.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.828 0.347 . . . . 62.12 110.267 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . 174.0 -174.73 46.43 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.671 -0.776 . . . . 45.03 112.025 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 tpm_? -170.47 -71.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.765 0.426 . . . . 62.35 109.86 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.44 109.97 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.449 -0.575 . . . . 65.43 109.449 -178.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -140.15 113.84 8.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.287 -0.415 . . . . 74.34 110.126 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -80.01 67.2 5.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 72.24 111.196 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.9 tp -78.97 -31.9 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 74.02 109.95 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 -16.13 60.08 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.915 -0.66 . . . . 71.42 112.01 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -126.24 113.81 23.69 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.893 -0.41 . . . . 65.44 109.893 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -61.65 106.56 0.44 Allowed 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.47 2.113 . . . . 73.02 110.712 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -130.84 145.06 51.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.026 0.441 . . . . 75.43 111.148 -173.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.49 HD11 ' HB ' ' A' ' 69' ' ' THR . 5.5 tt -98.28 110.65 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.713 -0.676 . . . . 64.14 110.256 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 62.92 3.48 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.841 -0.695 . . . . 73.24 111.93 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.433 HD13 HG21 ' A' ' 69' ' ' THR . 63.4 tp -63.04 116.08 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.92 0.391 . . . . 53.03 110.414 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 m -118.27 109.47 16.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 42.22 109.886 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.0 141.59 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 63.21 110.315 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.78 169.07 8.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.208 -0.451 . . . . 64.31 110.668 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -86.78 -2.52 58.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.156 0.503 . . . . 72.54 110.191 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -95.81 -29.89 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.104 -0.498 . . . . 73.22 111.655 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.51 ' ND2' HG23 ' A' ' 56' ' ' VAL . 2.6 p-10 -93.77 -25.0 17.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.805 0.336 . . . . 71.41 111.186 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' ND2' ' A' ' 55' ' ' ASN . 85.5 t -122.17 107.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.357 -0.609 . . . . 72.33 109.357 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -93.42 -29.52 15.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.776 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -97.22 136.27 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.153 0.501 . . . . 74.43 111.272 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.36 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 74.01 112.164 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 84.4 m-70 -70.62 -21.32 62.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.877 0.37 . . . . 53.01 111.222 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' ILE . 52.8 mm-40 -72.75 -33.62 66.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.848 -0.427 . . . . 74.4 109.848 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HB2' HG11 ' A' ' 56' ' ' VAL . 53.1 ttp180 -66.71 -28.74 68.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 74.11 109.739 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 15.9 m120 -61.79 -49.57 75.82 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.83 -0.623 . . . . 65.42 109.402 172.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.74 -40.56 97.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.392 -0.822 . . . . 72.15 111.224 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.5 mm -60.57 -43.3 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 71.33 111.142 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -74.04 -18.73 60.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 61.5 111.416 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 40.5 mtp85 -81.1 -36.28 30.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 71.23 110.692 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -73.0 -44.23 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 52.4 110.221 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.49 ' HB ' HD11 ' A' ' 47' ' ' ILE . 12.4 p -65.32 -49.56 68.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 75.24 111.535 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -81.19 11.48 4.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 71.33 110.842 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -99.38 -52.34 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.144 -0.687 . . . . 73.12 109.144 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -67.65 -46.04 73.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.518 -0.765 . . . . 70.41 111.034 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.588 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 81.0 m-85 -79.56 5.21 13.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 72.34 111.687 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -109.78 -51.17 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.389 -0.226 . . . . 75.25 110.389 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.95 -26.68 65.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 64.4 111.032 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.47 ' HG2' ' CD1' ' A' ' 109' ' ' TRP . 9.1 mpt_? -103.16 46.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 65.21 109.643 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -71.36 -18.03 62.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.259 -0.882 . . . . 62.41 111.369 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.24 10.54 41.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.603 -0.271 . . . . 74.41 110.749 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -98.4 12.46 34.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 75.21 110.723 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 112' ' ' HIS . 2.5 pt? -153.95 150.95 23.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.388 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.8 Cg_exo -76.65 -157.42 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.031 2.487 . . . . 70.45 111.609 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.54 45.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 71.42 111.149 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.8 mmt -115.1 148.59 38.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.906 -0.588 . . . . 54.45 109.845 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -112.54 156.67 22.25 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.625 -0.509 . . . . 75.32 109.625 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 95.2 m-85 -138.37 137.58 37.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 74.1 110.65 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.8 p -88.74 128.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 75.24 109.849 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 35' ' ' ILE . 41.0 t -111.9 112.39 40.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.473 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.66 118.38 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.151 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -91.95 148.79 21.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.982 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 8.9 mmpt? -90.89 173.88 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.23 -0.441 . . . . 61.21 110.614 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 6.2 ttpm? -77.13 120.87 22.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.662 -0.496 . . . . 65.24 109.662 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.502 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 126.51 -23.72 5.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.33 -0.938 . . . . 72.42 112.253 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.593 HG11 ' HB1' ' A' ' 89' ' ' ALA . 10.2 p -61.1 -27.77 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.335 0.588 . . . . 60.13 110.667 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -82.91 3.1 31.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.548 -0.751 . . . . 63.15 110.921 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -133.4 26.3 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.421 0.629 . . . . 73.14 110.32 -176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 89.7 mt -103.57 156.91 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.921 -0.581 . . . . 73.34 111.387 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.79 142.69 57.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.142 173.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.83 -32.13 73.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.459 0.647 . . . . 72.42 109.36 173.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.9 ttp180 -58.5 -43.71 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.894 -1.048 . . . . 75.31 110.796 174.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.08 89.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 72.53 110.754 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.42 -40.19 96.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.879 -0.6 . . . . 64.24 110.365 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -61.08 -44.58 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.795 -0.639 . . . . 65.11 110.687 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 40.6 mm-40 -63.58 -41.51 98.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 73.4 110.84 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 30' ' ' THR . . . -72.32 -24.52 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 41.13 111.926 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tt -56.95 -46.48 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 74.11 111.092 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.591 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -71.75 -25.44 62.05 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.922 -0.311 . . . . 71.01 111.223 -176.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.591 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 18.9 mmmt -71.79 -41.74 67.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.959 -0.756 . . . . 71.41 108.959 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.52 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 32.6 tp -64.86 -47.71 76.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.205 -0.907 . . . . 74.21 110.43 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 40.1 t90 -53.03 -53.45 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 72.15 112.246 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -67.15 -40.77 86.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 74.3 112.204 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 111' ' ' ARG . 8.5 tpp180 -72.43 -32.79 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.044 -0.354 . . . . 74.13 110.044 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 58.1 t-80 -58.58 -42.34 87.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 52.44 110.03 176.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.7 -55.21 14.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 63.53 110.956 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.88 -26.87 68.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 62.14 112.212 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.41 -46.79 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.801 -0.36 . . . . 74.54 111.097 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.13 71.15 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.041 0.385 . . . . 72.43 112.041 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 117' ' ' ARG . 24.0 mtt180 . . . . . 0 C--N 1.328 -0.363 0 C-N-CA 120.729 -0.389 . . . . 74.55 110.944 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.2 mm-40 . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.482 0.182 . . . . 63.15 111.264 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -55.8 -29.9 60.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 74.23 111.456 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -105.15 -28.67 10.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.23 0.538 . . . . 71.34 110.392 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB3' ' HA ' ' A' ' 17' ' ' GLN . 5.6 t80 -69.35 -34.03 73.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 64.34 111.442 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 17' ' ' GLN . 16.3 m -89.75 -13.2 9.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.148 0.499 . . . . 71.52 110.435 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -77.39 -5.67 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 64.35 110.609 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -59.61 -40.75 88.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.203 0.525 . . . . 72.01 109.732 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -151.34 81.4 6.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.602 -0.726 . . . . 71.0 109.25 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.32 101.67 1.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.299 1.999 . . . . 73.54 112.346 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -77.81 118.59 20.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 63.44 110.164 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.411 ' HA ' HD23 ' A' ' 36' ' ' LEU . 2.2 tmt_? -83.47 117.01 22.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.492 -0.776 . . . . 75.11 110.874 -172.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.61 174.65 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.558 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA3' HD13 ' A' ' 35' ' ' ILE . . . 94.58 -142.32 15.98 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.69 -0.767 . . . . 62.43 112.838 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -109.66 151.99 42.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.053 -0.351 . . . . 73.4 110.053 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 9.7 Cg_endo -54.8 -39.73 88.37 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.249 1.966 . . . . 63.53 111.841 170.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -73.81 -38.4 64.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.186 -0.461 . . . . 65.42 111.023 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.458 HD11 HG22 ' A' ' 69' ' ' THR . 5.5 tt -128.63 108.56 17.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 50.52 110.059 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.553 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 22.2 m -93.07 129.96 38.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 62.41 111.738 -171.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' HA3' ' A' ' 29' ' ' GLY . 4.1 mp -109.69 118.2 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.27 -0.641 . . . . 64.44 109.27 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.756 ' HB2' HG13 ' A' ' 86' ' ' VAL . 96.8 mt -112.39 146.61 38.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 70.33 110.583 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.73 -178.32 37.26 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.253 -0.739 . . . . 53.5 111.253 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -147.24 -82.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.539 -0.541 . . . . 75.34 109.539 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 38' ' ' ARG . 37.0 tp 170.33 90.94 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.136 -1.061 . . . . 73.15 108.136 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 83' ' ' MET . 9.8 m120 -135.45 151.86 50.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.096 -0.502 . . . . 71.42 110.107 -169.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -96.53 94.69 7.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.765 0.317 . . . . 64.12 111.026 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.686 HD23 ' HA ' ' A' ' 83' ' ' MET . 4.4 mm? -99.41 -27.38 13.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.044 0.449 . . . . 73.44 110.614 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.54 -48.29 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.928 -0.653 . . . . 75.34 112.293 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -126.2 153.42 74.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.923 -0.399 . . . . 72.12 109.923 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.89 136.61 74.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.068 2.512 . . . . 73.14 112.995 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 47' ' ' ILE . 3.7 tmt_? -144.47 143.14 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.49 -0.93 . . . . 73.42 108.49 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.496 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 11.2 tt -136.78 140.4 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 52.41 110.849 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.13 106.57 0.69 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.288 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.8 tp -77.72 122.8 25.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 74.55 110.586 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.521 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 28.4 m -94.39 109.54 21.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.954 -0.566 . . . . 74.22 110.139 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.482 ' HA ' HD21 ' A' ' 55' ' ' ASN . 12.2 p -142.41 145.56 23.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.965 -0.561 . . . . 70.53 109.952 -179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.22 -175.19 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.458 -0.337 . . . . 74.24 110.496 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -82.7 13.73 3.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 74.31 110.849 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -114.76 -30.65 6.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.782 0.29 . . . . 63.35 111.782 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.482 HD21 ' HA ' ' A' ' 51' ' ' VAL . 24.3 p-10 -99.2 -37.07 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.14 -0.224 . . . . 65.11 111.401 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -129.6 100.96 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 71.44 109.963 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 57' ' ' ARG . 51.8 mtm180 -102.44 13.53 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.14 -0.482 . . . . 63.13 111.159 -178.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.46 124.57 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 70.51 110.107 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 62' ' ' ARG . . . -72.19 -34.29 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.732 0.641 . . . . 73.11 112.732 -170.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -68.89 -46.14 69.15 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.336 0.588 . . . . 73.21 109.947 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 65' ' ' ILE . 3.3 mp0 -58.87 -33.39 70.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.11 -0.95 . . . . 71.45 110.799 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 24.1 ttp180 -49.8 -44.39 49.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.819 -0.628 . . . . 74.22 111.21 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -88.57 0.99 55.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.412 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -103.17 -34.22 8.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.615 -0.266 . . . . 75.21 110.747 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 61' ' ' GLU . 47.3 mm -66.37 -41.74 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.13 110.823 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -75.96 3.09 10.93 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.821 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -77.7 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 72.32 109.854 174.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 68' ' ' LEU . 3.0 tm? -66.12 -38.01 87.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 75.2 110.719 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 33' ' ' ILE . 36.9 p -58.02 -49.79 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.399 . . . . 64.03 111.378 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -74.8 -31.91 61.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.843 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.31 -53.42 44.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.408 -0.36 . . . . 74.13 110.619 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -63.31 -36.87 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.371 . . . . 51.51 110.769 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.98 -45.03 96.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.545 -0.752 . . . . 73.21 111.031 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.01 -38.42 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.33 111.985 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.15 -22.06 66.87 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.856 0.688 . . . . 51.45 112.856 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 19.6 mmt180 -111.84 35.25 3.77 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.287 -0.258 . . . . 74.31 111.289 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -25.68 65.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.731 -0.668 . . . . 73.2 111.494 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -74.7 -20.15 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.357 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -118.12 41.68 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 64.52 111.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.1 pp -155.53 145.3 15.52 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 73.43 111.971 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.9 Cg_exo -81.13 162.6 20.31 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.001 2.467 . . . . 73.2 110.561 167.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.99 95.79 10.26 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.339 0.496 . . . . 75.31 112.339 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.686 ' HA ' HD23 ' A' ' 42' ' ' LEU . 3.8 mpp? -129.66 179.23 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.716 -0.674 . . . . 71.3 109.987 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.487 ' CG ' ' HD2' ' A' ' 46' ' ' ARG . 44.2 t0 -93.59 107.57 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.986 -0.746 . . . . 63.3 108.986 171.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.5 100.6 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.869 -0.605 . . . . 75.14 110.868 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.756 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.2 p -78.37 113.3 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.392 -0.822 . . . . 53.52 110.032 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.38 112.19 37.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.38 -0.827 . . . . 62.31 110.543 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.553 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 47.6 t -94.52 109.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.047 -0.524 . . . . 70.11 110.304 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -84.8 121.25 27.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.966 -0.561 . . . . 74.44 110.238 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.51 156.55 22.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.409 -0.359 . . . . 64.31 110.566 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -57.67 136.42 56.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 63.12 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.546 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 111.33 -24.51 15.69 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.923 -0.656 . . . . 74.4 111.781 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.544 HG11 ' HB1' ' A' ' 89' ' ' ALA . 8.2 p -59.22 -29.99 42.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 121.02 0.438 . . . . 74.45 111.356 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.28 17.53 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 64.12 111.239 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -147.26 32.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.773 0.797 . . . . 64.33 109.882 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 94.0 mt -105.21 167.45 9.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 74.02 111.146 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.41 160.27 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.622 -0.717 . . . . 65.44 110.236 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 27.6 t-20 -59.07 -27.87 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 63.34 110.972 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -66.66 -18.89 65.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.593 -0.276 . . . . 62.4 111.028 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.69 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.626 -0.261 . . . . 54.43 111.453 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 98' ' ' ASN . 4.3 pp -73.9 -22.19 59.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 61.51 110.607 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 t -76.33 -38.98 55.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 65.22 109.769 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -67.91 -49.33 62.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 64.31 110.246 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.67 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -62.28 -23.37 66.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.742 -0.663 . . . . 70.05 111.684 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 tp -58.49 -43.9 89.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 65.53 110.917 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.612 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -77.03 -29.79 55.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.638 -0.425 . . . . 73.2 110.009 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.67 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.8 mmmt -64.58 -30.31 71.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.161 0.505 . . . . 71.52 109.638 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 4.2 mm? -80.92 -61.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 65.1 110.687 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -57.91 -56.47 21.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.572 0.582 . . . . 73.03 112.572 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.17 -37.63 83.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.78 . . . . 72.33 111.075 -173.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -82.86 -35.57 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.906 -0.588 . . . . 72.25 111.164 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.569 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.0 t-160 -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.941 -174.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.2 t -64.21 -41.45 97.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.721 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -70.5 -22.7 62.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.02 111.103 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -85.15 -46.61 10.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.278 -0.419 . . . . 65.34 110.668 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -30.17 71.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 75.42 111.196 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.493 . . . . 64.14 110.069 177.393 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.4 pm0 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.816 -0.439 . . . . 72.25 109.816 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -62.74 -33.1 74.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.246 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.88 -0.6 . . . . 72.33 110.304 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 24.7 t80 -79.63 -36.01 38.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.026 -0.534 . . . . 63.52 110.442 -178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.904 ' HB ' ' HA2' ' A' ' 37' ' ' GLY . 18.9 m -74.75 -25.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 63.22 110.582 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -70.07 -16.65 63.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.174 0.511 . . . . 61.34 110.463 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.571 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 60.4 mt-30 -65.13 -29.36 70.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.677 -0.692 . . . . 72.13 111.326 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . 59.9 tt0 -169.59 77.65 0.68 Allowed Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.698 -0.482 . . . . 75.5 109.698 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -88.53 131.27 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.785 2.324 . . . . 73.24 113.174 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -84.29 139.16 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.775 -0.454 . . . . 70.52 109.775 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HA ' HD23 ' A' ' 36' ' ' LEU . 2.3 tmm_? -96.74 113.02 24.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.447 -173.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.91 141.07 44.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.429 -0.35 . . . . 70.41 110.654 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.01 -137.13 10.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.599 -0.81 . . . . 74.13 112.612 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.6 p -130.18 163.52 47.15 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.364 . . . . 70.53 110.019 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 37.7 Cg_endo -66.83 -8.15 20.56 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 74.52 113.154 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.567 HE21 ' HA ' ' A' ' 93' ' ' VAL . 51.7 tp60 -99.07 -31.34 11.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 74.4 110.167 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 tt -144.14 108.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.573 0.702 . . . . 44.23 109.463 174.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -111.04 131.46 55.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.505 -0.77 . . . . 62.52 111.247 -173.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.4 mp -101.01 118.64 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.304 -0.628 . . . . 70.1 109.304 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 27' ' ' ARG . 80.2 mt -120.72 164.38 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.947 -0.57 . . . . 51.4 110.045 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.904 ' HA2' ' HB ' ' A' ' 21' ' ' VAL . . . 147.57 167.73 13.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 119.884 -1.15 . . . . 61.2 113.448 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.629 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 17.4 ptt180 -163.1 143.85 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.497 -0.927 . . . . 73.31 108.497 174.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 40' ' ' ASN . 16.2 tp -169.92 -104.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.773 -0.455 . . . . 54.35 109.773 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 61.1 t30 178.18 157.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.8 -0.815 . . . . 73.42 108.8 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -71.7 84.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.218 0.532 . . . . 64.11 109.91 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.51 -7.17 32.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.956 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.07 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.451 -0.881 . . . . 40.25 112.06 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -135.94 86.8 25.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.745 0.307 . . . . 73.44 110.434 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' A' ' 82' ' ' ALA . 73.1 Cg_endo -90.48 142.81 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.923 2.415 . . . . 72.35 113.077 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 12.7 tpt180 -157.37 143.24 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.726 -0.472 . . . . 71.14 109.726 176.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 tt -87.5 116.26 29.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.373 0.606 . . . . 71.21 110.957 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.66 69.74 0.61 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.024 -0.608 . . . . 45.3 111.787 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.27 109.88 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.151 0.5 . . . . 73.12 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.0 m -101.8 100.05 10.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.868 -0.606 . . . . 74.41 110.06 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.78 115.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.399 -0.818 . . . . 55.21 110.665 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.81 158.11 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.654 -0.703 . . . . 51.34 110.786 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.42 -10.29 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 74.5 111.631 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 21.0 ptmt -93.7 -12.64 28.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.997 0.427 . . . . 71.31 110.311 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.0 m-20 -102.25 -50.48 3.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 64.04 110.203 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 62' ' ' ARG . 45.5 t -126.07 126.74 70.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.508 -0.923 . . . . 63.41 108.508 174.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.632 ' HB2' ' HD2' ' A' ' 58' ' ' ARG . 81.1 mtt180 -101.06 -63.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 63.5 111.955 -165.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.73 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 4.7 mpt_? -68.38 145.52 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.573 -168.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.83 81.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 72.43 110.731 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.42 -36.84 85.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.225 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.73 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 60.5 mt-10 -65.28 -56.04 14.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.208 0.528 . . . . 60.33 110.19 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 62' ' ' ARG . 50.4 mtm180 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.42 -0.809 . . . . 74.43 111.595 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 27.1 t-20 -69.6 -45.69 68.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.157 -0.312 . . . . 75.04 110.157 174.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -64.09 -40.12 95.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 75.55 111.16 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.2 mm -60.91 -37.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.25 110.754 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -78.06 -1.02 30.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.375 . . . . 70.31 111.565 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 51.7 mtt180 -99.66 -37.0 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 75.42 109.947 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.98 -58.06 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.314 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.5 p -68.02 -32.75 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 75.14 111.693 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -72.96 -20.33 61.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.677 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -97.66 -28.83 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 65.13 110.924 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.2 p -67.44 -45.27 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 64.23 110.881 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HA ' ' CH2' ' A' ' 109' ' ' TRP . 55.1 m-85 -72.59 -11.56 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.448 . . . . 74.1 110.863 177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -102.1 -5.93 23.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 75.11 110.354 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HG ' ' HG3' ' A' ' 76' ' ' ARG . 62.6 tp -77.62 -58.47 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 64.15 110.398 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HB3' ' HG2' ' A' ' 79' ' ' GLU . 28.4 mtp85 -129.9 77.03 1.76 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 64.51 110.575 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.575 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -75.23 2.52 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 63.24 111.869 -177.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.6 -11.65 42.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.715 -0.476 . . . . 75.54 109.715 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 76' ' ' ARG . 35.1 mm-40 -94.19 11.27 30.75 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.081 -0.711 . . . . 74.44 109.081 173.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 112' ' ' HIS . 22.9 tp -132.2 125.22 19.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.027 -0.988 . . . . 72.14 110.307 -173.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.45 137.97 62.92 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.243 1.962 . . . . 72.01 110.772 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -75.94 86.93 2.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.089 0.471 . . . . 72.05 111.937 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ptp -157.5 -178.7 7.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.376 -0.829 . . . . 54.24 109.478 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 46' ' ' ARG . 4.8 m-20 -82.39 119.46 24.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.762 0.315 . . . . 61.14 110.866 177.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -112.14 133.25 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.32 -0.4 . . . . 72.43 110.595 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.7 t -94.73 118.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.099 -0.501 . . . . 62.42 110.726 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.82 105.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.056 -0.52 . . . . 65.13 110.021 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.5 t -89.96 106.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 70.03 110.657 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 74.21 109.948 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.0 mmpt? -80.23 176.65 9.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 71.54 111.524 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 48.2 mtmt -67.87 126.87 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.496 -0.774 . . . . 74.32 111.358 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.92 29.82 66.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.604 -0.726 . . . . 54.41 112.884 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.567 ' HA ' HE21 ' A' ' 32' ' ' GLN . 8.1 p -69.76 -21.53 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.922 0.392 . . . . 70.32 110.87 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 65' ' ' ILE . . . -90.54 -2.31 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 65.24 110.994 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.83 35.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.188 0.994 . . . . 63.12 110.082 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.3 153.86 35.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.285 -0.87 . . . . 74.34 109.589 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.81 151.25 47.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.756 -0.461 . . . . 63.35 109.756 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -24.47 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.719 0.295 . . . . 71.15 111.132 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 99' ' ' ARG . 12.1 ttm180 -68.01 -51.07 51.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 72.53 109.325 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.2 88.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.427 -0.806 . . . . 74.44 111.01 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.13 -45.2 87.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 74.51 110.624 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 t -66.59 -41.69 88.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.126 -0.488 . . . . 64.35 110.26 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.45 5.56 10.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 70.33 111.491 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.74 -35.83 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 33.03 109.697 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 2.8 tm? -66.0 -43.82 86.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.29 -0.868 . . . . 74.23 110.034 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 2.9 pt-20 -61.8 -31.85 72.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 70.32 110.934 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 29.5 mmmt -61.81 -51.9 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 72.22 110.424 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -71.97 -30.52 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.875 -0.602 . . . . 75.14 111.374 -175.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 73' ' ' PHE . 23.5 t-105 -81.02 -39.06 26.44 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.669 -0.412 . . . . 73.43 110.458 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.87 -34.94 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.288 -0.634 . . . . 51.23 109.288 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.466 -0.788 . . . . 70.24 109.995 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.501 ' CE1' HD12 ' A' ' 80' ' ' LEU . 22.0 t-80 -71.25 -39.9 71.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.894 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.66 -47.64 84.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.155 0.502 . . . . 72.42 110.138 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -79.96 15.39 1.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 61.22 111.306 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 tp -125.62 -50.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.873 0.368 . . . . 74.5 110.591 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.62 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 73.2 111.487 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 117' ' ' ARG . 67.7 mtt-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 61.32 110.928 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.851 0.358 . . . . 63.55 110.207 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 21' ' ' VAL . 89.4 m-85 -84.58 -45.42 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 63.43 110.004 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.689 ' HA ' ' HD2' ' A' ' 22' ' ' PHE . 23.7 m -66.51 -12.59 58.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.251 0.548 . . . . 62.33 110.961 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.5 -39.56 80.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.818 -0.628 . . . . 74.13 110.509 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 18' ' ' PHE . 13.4 m -85.89 -7.25 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 53.23 110.863 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.689 ' HD2' ' HA ' ' A' ' 19' ' ' THR . 24.7 m-85 -77.18 3.72 12.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.075 0.464 . . . . 63.4 110.936 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -87.25 -69.76 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.991 -0.744 . . . . 71.42 108.991 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -143.37 99.01 5.38 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 72.4 109.796 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -93.81 170.93 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.052 2.501 . . . . 74.24 113.627 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -117.14 99.46 7.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.784 -0.644 . . . . 64.3 109.386 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.495 ' HG3' HG23 ' A' ' 34' ' ' THR . 40.1 ttt-85 -75.79 118.8 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.108 -0.496 . . . . 64.41 111.458 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.08 91.7 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.871 -0.604 . . . . 74.25 110.272 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.15 -158.03 17.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.103 -0.57 . . . . 50.34 111.828 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 68.3 p -114.96 173.78 2.72 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.426 -0.213 . . . . 50.11 110.426 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 31.6 Cg_exo -61.09 -27.63 84.58 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.683 2.255 . . . . 61.54 113.269 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -91.52 -35.7 14.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.807 -0.357 . . . . 74.34 111.474 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 tt -128.11 104.39 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.658 0.742 . . . . 73.21 110.22 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' HG3' ' A' ' 27' ' ' ARG . 52.9 m -101.06 112.29 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.449 -0.796 . . . . 51.41 111.323 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.4 mt -94.65 115.13 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 71.24 110.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.718 ' HB2' HG13 ' A' ' 86' ' ' VAL . 3.1 mm? -86.57 105.08 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.221 -0.659 . . . . 74.15 109.221 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.618 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -96.13 160.98 22.37 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.563 -0.827 . . . . 64.44 112.836 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -141.54 138.45 32.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.026 -0.361 . . . . 65.12 110.026 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -88.36 4.55 45.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.002 0.43 . . . . 62.13 110.534 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.08 98.79 0.61 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.557 -0.905 . . . . 72.3 108.557 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 12.4 t -82.44 107.09 14.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.22 0.534 . . . . 53.44 111.111 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.67 -1.9 29.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 72.21 110.41 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.92 37.61 94.07 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.724 -0.751 . . . . 70.33 111.457 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 46' ' ' ARG . 9.1 t60 -127.67 86.8 57.51 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.96 -0.385 . . . . 53.24 109.96 -172.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.534 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 4.0 Cg_exo -75.5 102.26 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.87 2.38 . . . . 74.24 111.959 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 44' ' ' HIS . 1.4 mpt_? -146.14 150.81 36.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.839 0.352 . . . . 75.23 110.373 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.39 108.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.358 0.599 . . . . 72.15 110.0 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.06 91.32 1.44 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.944 -0.646 . . . . 50.45 112.28 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 69' ' ' THR . 59.8 tp -72.96 110.7 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 72.1 109.93 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 104.57 13.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.942 -0.572 . . . . 73.34 109.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.12 136.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.001 -0.545 . . . . 43.23 110.053 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.69 146.42 36.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.341 -0.614 . . . . 72.14 109.341 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 61.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.642 0.734 . . . . 65.24 111.586 -175.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 4.2 ptpp? -130.06 -36.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 71.3 110.158 174.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.436 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.9 p-10 -90.05 -35.54 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.681 -0.488 . . . . 73.31 109.681 177.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -117.35 89.18 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.759 -0.655 . . . . 65.52 109.657 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -108.34 74.97 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.207 0.527 . . . . 75.34 110.362 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.57 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.7 tpm_? -161.1 -149.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 64.41 109.032 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.477 ' H ' ' HG3' ' A' ' 58' ' ' ARG . . . -134.21 -47.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.509 0.559 . . . . 64.52 112.509 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -69.38 -30.58 68.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.378 0.609 . . . . 75.01 110.613 -172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.605 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 22.5 mp0 -71.74 -15.89 62.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.111 -0.95 . . . . 75.15 111.503 -174.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.91 -42.72 94.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.097 0.475 . . . . 72.53 110.592 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.75 -34.43 60.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 74.43 110.312 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 98.5 mtt180 -58.44 -51.49 69.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.702 -0.681 . . . . 72.01 111.449 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.48 -39.76 86.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.073 -0.512 . . . . 71.11 111.1 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 66.4 mttm -69.58 -36.35 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 74.35 111.69 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -64.75 -47.12 79.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.748 -0.381 . . . . 73.43 111.304 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.3 -48.05 81.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.337 . . . . 73.45 110.651 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.42 HG21 HD13 ' A' ' 49' ' ' LEU . 6.1 p -62.32 -56.86 14.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 74.1 112.212 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 58.5 mtm180 -57.71 -43.03 84.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.785 0.326 . . . . 74.15 111.421 -177.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.65 -40.01 92.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 73.13 111.289 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.562 ' CB ' HD11 ' A' ' 105' ' ' LEU . 38.9 t -75.5 -36.76 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.986 -0.286 . . . . 72.45 110.649 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 77.9 t80 -62.75 -32.44 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.137 0.494 . . . . 70.23 110.248 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -75.3 -43.4 51.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.485 -0.779 . . . . 64.44 111.21 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.87 -32.0 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 65.24 111.524 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -93.49 7.94 42.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.096 0.474 . . . . 55.13 110.094 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 8.1 tp-100 -79.96 79.67 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 73.32 111.891 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 77' ' ' GLN . 8.9 t-80 167.08 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.376 -0.829 . . . . 72.13 109.132 174.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.45 -38.04 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.718 -0.674 . . . . 51.43 110.289 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 3.5 pp -104.37 158.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 64.34 109.967 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 80' ' ' LEU . 23.6 Cg_endo -61.81 127.33 21.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.558 2.172 . . . . 73.33 112.161 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 45' ' ' PRO . . . -72.7 90.8 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 65.11 111.154 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 20.6 mmt -124.29 179.7 4.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 71.33 109.844 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.73 107.29 19.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.16 -0.681 . . . . 70.24 109.16 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.618 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 71.3 m-85 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.243 -0.435 . . . . 65.11 111.305 -174.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.5 p -94.78 123.44 46.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.572 . . . . 73.12 109.542 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.39 113.71 45.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.01 -0.541 . . . . 72.13 110.565 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.5 t -102.95 117.91 49.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.089 0.471 . . . . 62.3 110.429 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -80.63 136.48 36.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.695 . . . . 74.23 110.313 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.608 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.4 mmpt? -103.93 -171.82 2.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.222 -0.445 . . . . 75.51 110.366 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 58.1 pttt -73.12 143.42 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.428 -0.351 . . . . 72.33 110.911 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.38 4.18 71.23 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.785 -0.721 . . . . 74.22 113.24 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.4 p -82.44 -21.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 63.01 110.989 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.49 -25.28 31.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 54.35 111.063 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -124.13 104.38 8.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.099 -0.5 . . . . 43.43 110.003 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.44 168.08 20.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.985 -0.552 . . . . 42.55 110.805 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 24.7 m-20 -74.58 165.42 25.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.528 . . . . 71.13 110.246 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -64.01 -45.83 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.426 -0.352 . . . . 71.11 111.723 -173.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -85.7 -15.61 41.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 75.03 110.48 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . . . -65.77 -24.01 66.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 74.32 111.948 -174.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 102' ' ' SER . 4.2 pp -65.66 -33.59 76.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.839 0.352 . . . . 73.04 110.315 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.513 ' N ' HD12 ' A' ' 101' ' ' LEU . 8.7 t -78.87 -33.04 46.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.909 -0.774 . . . . 33.51 108.909 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 51.9 mt-10 -72.31 2.17 6.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.308 -0.86 . . . . 72.44 111.616 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.53 -38.17 3.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.294 0.569 . . . . 63.44 109.795 173.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 21.3 tp -68.31 -57.88 5.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.689 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.726 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 1.5 pt-20 -65.34 -16.07 63.2 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.844 0.313 . . . . 73.55 111.844 -173.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.726 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.2 mmmt -75.76 -43.8 44.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.915 -0.402 . . . . 74.31 109.915 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.5 pp -71.25 -19.87 62.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 75.15 110.124 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.552 ' O ' ' HB2' ' A' ' 113' ' ' CYS . 10.9 m0 -60.65 -32.13 71.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.372 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 7.5 mpt_? -91.28 -45.08 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.52 110.854 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -57.81 -40.36 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 64.42 110.802 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -87.28 -0.06 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 75.42 110.652 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 109' ' ' TRP . 34.8 t -92.31 -34.08 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.955 0.407 . . . . 72.33 110.024 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -70.22 -21.55 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 73.34 109.331 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.1 tp -95.31 9.99 37.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.759 . . . . 50.53 109.71 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.09 -47.01 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.664 . . . . 71.1 110.868 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 74.34 111.307 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.717 ' HG2' ' HB3' ' A' ' 84' ' ' ASP . 1.1 mp0 . . . . . 0 CA--C 1.52 -0.191 0 N-CA-C 110.337 -0.245 . . . . 62.11 110.337 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -55.85 -55.47 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 70.1 110.803 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -66.48 -32.26 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 73.31 111.008 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.41 -50.44 52.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 73.1 111.161 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -77.73 -16.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 71.13 111.402 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -75.04 -21.85 58.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 55.24 110.995 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -60.4 -42.82 96.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 50.32 110.942 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 2.9 tm0? -155.12 86.79 3.35 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.629 -0.878 . . . . 72.31 108.629 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.54 ' HB2' HD22 ' A' ' 36' ' ' LEU . 2.3 Cg_endo -81.65 126.76 5.41 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.162 2.575 . . . . 72.03 113.316 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -78.35 122.03 25.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.605 -0.887 . . . . 73.11 108.605 171.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -98.49 127.87 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.21 0.529 . . . . 73.1 111.818 -173.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -140.96 162.41 35.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.634 -0.712 . . . . 72.44 109.625 172.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.95 167.35 27.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.279 -0.962 . . . . 13.43 113.234 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.635 HG22 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -61.26 149.72 81.88 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 123.338 0.655 . . . . 74.51 110.697 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.635 ' HD2' HG22 ' A' ' 30' ' ' THR . 50.4 Cg_exo -55.74 -17.57 18.4 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.79 2.327 . . . . 71.23 114.036 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 90' ' ' LYS . 27.5 mp0 -94.41 -11.52 29.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 71.51 111.264 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.26 94.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.686 0.755 . . . . 75.14 109.689 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -97.26 108.89 21.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.731 -0.668 . . . . 60.23 111.437 -171.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.67 116.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.235 -0.654 . . . . 71.3 109.235 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 25' ' ' PRO . 95.6 mt -117.32 143.21 46.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 61.24 110.107 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.725 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -173.07 -179.01 43.47 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.162 -1.018 . . . . 40.44 112.578 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.726 ' HG3' HD23 ' A' ' 39' ' ' LEU . 6.4 tpt180 -152.75 153.91 34.16 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.228 -0.656 . . . . 74.22 109.228 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.726 HD23 ' HG3' ' A' ' 38' ' ' ARG . 1.7 pt? -62.99 122.65 16.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.017 0.437 . . . . 75.34 110.506 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -145.41 140.01 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 73.03 110.444 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.9 m -98.78 103.1 15.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.064 -0.517 . . . . 74.24 110.23 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -149.31 -49.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.703 0.287 . . . . 51.43 110.344 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.638 ' HA2' ' HB1' ' A' ' 82' ' ' ALA . . . 93.73 40.27 4.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.297 -0.954 . . . . 73.22 110.901 -173.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' HD12 ' A' ' 42' ' ' LEU . 44.9 t60 -131.67 85.75 50.99 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.282 -0.459 . . . . 75.24 110.086 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -96.19 94.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.107 2.538 . . . . 51.41 112.243 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 46' ' ' ARG . 11.5 mmt180 -110.29 -169.69 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.078 0.466 . . . . 73.24 110.573 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 tt -121.45 88.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.765 0.793 . . . . 63.11 109.747 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.45 61.16 4.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 32.22 112.601 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.24 109.02 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.094 0.473 . . . . 72.11 110.374 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 19.9 m -100.26 98.69 9.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.929 -0.578 . . . . 71.45 110.312 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -103.26 93.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 74.44 111.425 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . . . -70.32 134.93 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.98 -0.555 . . . . 70.43 110.363 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HB3' ' HD3' ' A' ' 58' ' ' ARG . 56.6 pttt -78.45 7.73 6.19 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.256 0.465 . . . . 73.34 112.256 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -91.68 -24.7 19.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.213 0.53 . . . . 72.41 110.091 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 4.9 p-10 -116.99 -26.62 6.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 73.45 110.598 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 58' ' ' ARG . 18.4 t -98.08 136.67 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.47 -0.937 . . . . 70.05 108.47 171.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.548 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 73.7 mtp180 -66.51 -14.44 62.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 74.2 111.263 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.459 ' H ' HG12 ' A' ' 56' ' ' VAL . 16.5 tpt180 74.13 25.06 1.85 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.669 -0.696 . . . . 61.15 111.552 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 -88.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.555 -0.458 . . . . 72.34 111.983 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -106.46 -20.64 13.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.391 0.615 . . . . 73.54 110.691 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.75 ' H ' ' CD ' ' A' ' 61' ' ' GLU . 3.8 mp0 -58.91 -45.95 89.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.02 -0.991 . . . . 53.2 110.441 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -20.26 65.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.684 -0.689 . . . . 74.43 110.887 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.599 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 56.0 t30 -70.46 -40.45 73.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.438 -0.346 . . . . 54.42 110.162 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HD3' HH11 ' A' ' 64' ' ' ARG . 17.9 ttm180 -70.83 -40.42 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.187 0.518 . . . . 73.32 109.889 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.7 mm -60.98 -42.8 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.71 . . . . 71.5 111.108 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.599 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 22.7 pttp -79.29 5.0 13.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.634 -0.257 . . . . 54.23 111.303 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -103.58 -42.46 5.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 75.24 110.533 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 68' ' ' LEU . 2.2 tm? -65.3 -49.68 68.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.737 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 64.1 110.824 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 29.1 ttt180 -48.04 -52.62 19.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.44 -0.8 . . . . 64.24 111.418 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.25 -48.43 70.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.961 -0.563 . . . . 72.12 110.88 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 p -69.25 -24.66 64.01 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.518 0.562 . . . . 73.35 112.518 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -96.15 -15.54 22.04 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.553 0.575 . . . . 75.25 112.553 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.7 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.4 mmp_? -104.88 -32.67 8.68 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.394 -0.522 . . . . 72.33 112.076 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.3 mm? -80.42 -12.18 59.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 74.33 110.9 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.669 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 82.8 mtm180 -115.53 82.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.286 -0.416 . . . . 75.23 109.986 175.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.527 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -93.75 10.11 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.52 -0.309 . . . . 71.23 111.645 -175.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -127.91 9.46 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.742 0.782 . . . . 74.23 109.202 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.669 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 19.8 tp10 -81.71 -27.6 33.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.149 -0.932 . . . . 72.12 110.049 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.3 pt? -136.15 154.85 77.65 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.626 -0.716 . . . . 70.12 109.794 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 16.5 Cg_exo -68.66 179.65 2.99 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.633 2.222 . . . . 75.21 111.74 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.638 ' HB1' ' HA2' ' A' ' 43' ' ' GLY . . . -80.08 44.31 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.338 0.59 . . . . 45.23 111.188 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.6 ' SD ' ' HA ' ' A' ' 39' ' ' LEU . 56.0 mtt -108.08 166.16 10.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.454 -0.794 . . . . 75.41 109.525 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.717 ' HB3' ' HG2' ' A' ' 17' ' ' GLN . 22.5 t70 -111.48 126.92 55.47 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.787 -0.449 . . . . 73.02 109.787 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.725 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 97.2 m-85 -122.44 139.71 53.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.797 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.21 123.76 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.443 0.64 . . . . 74.44 110.118 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.97 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.776 -0.647 . . . . 73.22 109.726 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.409 ' HA ' ' HB ' ' A' ' 50' ' ' THR . 38.7 t -88.49 116.22 29.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.921 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -73.32 133.74 43.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.785 -0.643 . . . . 74.43 109.881 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 75.4 mmtt -111.83 177.77 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 73.24 111.19 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 55.1 tptt -66.14 115.0 5.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.772 -0.649 . . . . 65.12 110.777 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.89 -24.98 5.36 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.767 -0.73 . . . . 70.33 112.459 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.587 HG11 ' HB1' ' A' ' 89' ' ' ALA . 9.8 p -71.27 -20.57 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.043 0.449 . . . . 71.34 111.468 -175.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.02 3.1 47.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.141 0.496 . . . . 42.21 110.796 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.9 87.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 75.23 109.675 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.69 165.1 22.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.912 -0.585 . . . . 55.4 110.122 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 29.6 t70 -70.45 140.46 51.97 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.485 -0.561 . . . . 75.53 109.485 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.136 0.493 . . . . 61.04 111.096 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 1.4 ttp180 -86.1 -21.75 27.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 73.11 110.765 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 97' ' ' ASP . . . -71.75 -5.19 32.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 61.3 112.615 -173.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 102' ' ' SER . 4.3 pp -68.22 -24.8 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 74.21 110.204 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.429 ' N ' HD12 ' A' ' 101' ' ' LEU . 16.2 m -72.78 -22.07 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.877 -0.601 . . . . 71.32 110.429 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.72 -46.5 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 54.1 109.758 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.65 74.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 73.14 110.748 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.1 -37.29 87.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 61.42 111.38 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.607 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -72.29 -31.21 65.52 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 120.707 -0.397 . . . . 75.51 110.225 -177.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.607 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -69.94 -37.48 75.87 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.844 -0.798 . . . . 75.11 108.844 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.652 ' HG ' HH22 ' A' ' 76' ' ' ARG . 44.5 tp -77.89 4.04 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.13 -0.941 . . . . 72.3 110.703 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -116.02 -63.11 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.989 -0.55 . . . . 71.23 109.995 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -64.15 -51.91 61.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 64.24 111.972 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -72.5 -22.93 60.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.003 0.43 . . . . 72.34 110.38 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.45 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 58.1 t-80 -77.83 -48.66 15.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 74.11 110.784 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 31.2 t -62.05 -37.94 86.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.192 0.52 . . . . 74.01 110.27 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -84.69 6.59 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.33 111.066 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 28' ' ' ALA . 46.2 tp -95.01 -33.09 12.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 75.11 110.049 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.74 60.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 74.12 110.565 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 115.909 -0.587 . . . . 70.24 109.654 178.125 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 11.1 mm-40 . . . . . 0 CA--C 1.526 0.055 0 CA-C-O 120.577 0.227 . . . . 74.12 111.237 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -66.23 -28.29 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.221 0.534 . . . . 74.31 110.38 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -93.8 -29.88 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 64.33 110.384 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -70.14 -35.79 74.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 75.12 110.745 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.832 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 10.6 p -76.63 -23.24 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 43.12 110.619 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -70.53 -21.12 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.252 0.548 . . . . 72.42 110.56 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -63.99 -62.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 74.33 111.722 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -159.79 89.26 1.91 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 73.24 110.114 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -97.75 148.98 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.367 2.711 . . . . 70.43 113.232 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.409 ' HB3' HD21 ' A' ' 115' ' ' LEU . 87.2 mm-40 -88.29 97.31 10.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.819 -0.808 . . . . 55.3 108.819 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.763 ' HE ' HG23 ' A' ' 34' ' ' THR . 2.6 tmt_? -82.52 116.62 22.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.692 -0.686 . . . . 70.44 110.642 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.43 129.44 31.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.711 -0.677 . . . . 60.24 109.774 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.65 -164.06 31.96 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.437 -0.887 . . . . 74.21 112.412 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 46.2 p -123.63 176.23 2.33 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.071 -0.344 . . . . 73.31 110.071 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_exo -62.94 -14.35 40.7 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.482 2.121 . . . . 52.33 112.398 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -87.64 -41.65 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 73.53 110.399 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.8 tt -143.18 127.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 71.21 110.951 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.763 HG23 ' HE ' ' A' ' 27' ' ' ARG . 52.1 m -117.33 121.48 41.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.011 0.434 . . . . 44.51 111.353 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.516 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 60.4 mt -104.45 118.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 60.53 110.134 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.643 ' HB2' HG13 ' A' ' 86' ' ' VAL . 89.2 mt -101.28 105.69 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.36 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.54 2.69 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.475 -0.869 . . . . 53.35 112.169 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.832 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 2.0 tmt_? -91.43 136.5 33.07 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.132 -0.692 . . . . 64.35 109.132 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.529 HD13 ' HG2' ' A' ' 83' ' ' MET . 3.3 mm? -66.35 87.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.394 -0.366 . . . . 73.3 110.191 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.793 ' HB3' ' HB2' ' A' ' 84' ' ' ASP . 36.5 t30 -125.44 115.94 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.228 -0.656 . . . . 73.41 109.228 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 t -80.39 86.08 5.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.315 0.579 . . . . 74.12 110.484 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD22 ' HD2' ' A' ' 46' ' ' ARG . 36.4 tp -94.93 -11.96 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.635 -0.711 . . . . 72.32 109.726 175.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.85 15.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.734 -0.666 . . . . 74.12 112.199 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -133.49 148.7 69.85 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.565 -0.531 . . . . 65.55 109.565 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 77' ' ' GLN . 31.6 Cg_exo -62.46 110.13 1.01 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.728 2.285 . . . . 75.21 111.689 177.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.551 ' HD2' HD22 ' A' ' 42' ' ' LEU . 45.2 ttt180 -95.41 134.47 38.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.855 -0.611 . . . . 64.13 110.356 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 tt -121.59 127.52 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.223 0.535 . . . . 74.4 110.676 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.02 127.68 4.66 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.275 -0.73 . . . . 71.14 111.275 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 66' ' ' LYS . 33.8 tp -100.54 121.41 41.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 117.223 0.512 . . . . 74.14 110.654 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -119.8 100.91 7.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.045 -0.525 . . . . 75.32 110.124 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.459 HG23 ' HG ' ' A' ' 49' ' ' LEU . 50.9 t -129.04 127.99 66.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 61.3 110.473 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.76 160.59 19.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.345 -0.389 . . . . 51.12 110.423 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -73.14 -11.15 60.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.335 0.588 . . . . 74.13 110.43 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 35.1 mmtp -81.19 -22.91 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 73.24 110.263 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.66 -55.58 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.707 -0.678 . . . . 63.41 109.63 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 62' ' ' ARG . 61.9 t -109.52 109.73 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.373 -0.83 . . . . 34.24 109.509 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -73.57 2.1 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 71.1 111.854 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' H ' HG12 ' A' ' 56' ' ' VAL . 4.1 mmp_? -123.96 175.05 7.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.912 0.387 . . . . 74.24 110.981 -175.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.69 -46.8 2.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.16 -0.473 . . . . 70.31 110.747 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -67.04 -45.83 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 71.53 110.191 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 19.3 mp0 -59.74 -35.9 75.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.581 -0.736 . . . . 74.35 110.318 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.61 ' HB2' HG11 ' A' ' 56' ' ' VAL . 2.6 ttp180 -70.1 -29.71 66.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 74.21 111.094 -178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.29 -38.7 84.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.666 -0.243 . . . . 72.3 110.832 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -75.82 -17.96 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.657 -0.247 . . . . 73.44 111.16 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mm -63.89 -43.68 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 71.55 110.515 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HB3' HD22 ' A' ' 49' ' ' LEU . 23.5 pttm -78.79 -17.66 55.39 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.634 -0.426 . . . . 73.22 110.223 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.4 mmp_? -71.75 -41.13 68.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.208 0.528 . . . . 75.14 109.972 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 68' ' ' LEU . 3.1 tm? -66.78 -36.61 82.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 62.31 110.414 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.407 HG21 HG11 ' A' ' 87' ' ' VAL . 4.1 p -86.87 -40.72 14.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.728 0.64 . . . . 72.14 112.728 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -72.28 -36.47 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.786 -0.366 . . . . 73.15 111.03 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -15.64 59.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 71.3 111.683 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.457 ' HB3' HD11 ' A' ' 105' ' ' LEU . 19.3 p -95.26 -45.39 7.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.772 -0.371 . . . . 63.42 111.321 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 20.9 m-85 -59.83 -48.97 79.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.887 0.375 . . . . 72.31 111.193 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -86.94 23.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 72.05 111.509 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.85 -15.42 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.562 0.696 . . . . 71.21 109.513 172.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HD3' ' OE1' ' A' ' 79' ' ' GLU . 12.8 tpp180 -118.99 26.9 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 72.04 109.893 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' HB2' ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -76.59 9.46 2.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.746 -0.661 . . . . 72.31 112.014 -174.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -95.28 -49.47 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.831 -0.433 . . . . 74.52 109.831 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.438 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 29.5 mp0 -84.12 2.22 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 73.13 110.524 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 52.0 tp -117.16 121.95 31.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.784 -0.644 . . . . 51.02 109.951 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 22.3 Cg_exo -65.92 168.24 15.87 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.039 2.493 . . . . 65.45 112.24 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.76 97.97 11.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.123 -0.489 . . . . 74.24 112.133 -173.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 81' ' ' PRO . 4.3 mpp? -133.6 -174.0 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.493 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.793 ' HB2' ' HB3' ' A' ' 40' ' ' ASN . 3.8 t0 -103.71 118.16 36.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.942 -0.762 . . . . 74.51 108.942 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -117.48 109.07 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.003 0.43 . . . . 72.23 111.324 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.643 HG13 ' HB2' ' A' ' 36' ' ' LEU . 4.8 p -95.84 115.68 35.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.668 0.746 . . . . 64.04 109.668 173.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.442 HG22 HG23 ' A' ' 35' ' ' ILE . 44.8 t -98.12 119.38 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.516 -0.766 . . . . 65.32 110.318 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.74 103.95 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.897 -0.592 . . . . 73.31 110.232 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -74.29 132.89 42.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.436 -0.579 . . . . 61.33 109.436 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.623 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -94.48 -171.91 2.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.81 0.338 . . . . 64.11 110.713 -175.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 54' ' ' LYS . 39.2 ttmt -80.4 130.49 35.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.167 -0.469 . . . . 75.01 110.985 -174.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.56 -9.99 55.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.655 -0.783 . . . . 72.23 112.995 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.541 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.8 p -63.59 -24.03 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.94 0.4 . . . . 60.22 111.388 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 1.86 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 71.0 111.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -108.18 17.01 22.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 61.32 110.448 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.54 156.65 29.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 73.4 111.734 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.46 157.93 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.703 -0.68 . . . . 73.1 110.108 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.94 -26.44 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 64.1 110.87 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -90.57 -32.57 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 72.21 110.677 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.39 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.737 -0.665 . . . . 63.21 112.184 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 4.1 pp -64.2 -22.72 67.05 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.584 0.23 . . . . 70.54 111.491 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 t -94.2 -37.98 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 43.42 109.885 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 15.8 mm-40 -62.38 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.472 -0.785 . . . . 60.44 111.28 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.37 -21.66 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 75.03 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 72' ' ' SER . 45.2 tp -65.6 -45.18 84.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.077 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.46 -29.29 68.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 61.5 110.873 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 32.2 mmmt -66.23 -42.4 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 74.44 110.129 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 99.1 mt -59.68 -52.53 65.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.699 . . . . 52.33 110.7 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -57.37 -54.41 47.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.963 0.411 . . . . 72.21 111.459 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -58.71 -47.14 85.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.409 -0.814 . . . . 75.14 111.747 -171.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -77.77 -37.33 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.77 -0.372 . . . . 73.42 111.357 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.5 t-80 -67.95 -28.16 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.628 0.251 . . . . 73.21 110.57 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 42.1 t -68.56 -49.11 61.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.277 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -58.56 -41.2 85.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.911 0.386 . . . . 74.21 110.903 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 26' ' ' GLN . 50.4 tp -62.66 -31.82 72.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 74.1 110.863 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.99 -9.98 57.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 74.43 111.204 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 11.2 mmm180 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.26 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 CA--C 1.532 0.25 0 N-CA-C 112.067 0.395 . . . . 71.32 112.067 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.03 -37.54 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.024 0.44 . . . . 75.22 110.73 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.0 -14.22 61.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 45.33 110.578 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 74.5 t80 -99.22 -49.68 4.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.436 . . . . 54.51 111.022 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.442 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 33.4 m -70.48 -23.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.051 0.389 . . . . 75.5 112.051 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -81.61 -9.78 59.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 74.23 111.138 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 78.5 mt-30 -64.25 -65.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 43.43 111.1 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.486 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 49.0 mt-30 -127.42 77.93 75.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.537 -0.301 . . . . 63.1 110.555 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.432 ' HB2' HD12 ' A' ' 36' ' ' LEU . 93.2 Cg_endo -96.27 165.58 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.184 2.589 . . . . 72.42 113.083 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -101.39 125.7 48.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 71.14 110.01 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -72.26 103.7 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.774 -0.648 . . . . 74.35 110.488 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.15 177.06 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.246 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.747 ' HA2' ' HG ' ' A' ' 108' ' ' LEU . . . 78.39 -131.22 10.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.599 -0.81 . . . . 70.3 111.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -132.65 169.53 13.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.29 -0.263 . . . . 74.31 110.29 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_endo -67.78 -6.55 17.12 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.258 1.972 . . . . 60.34 112.118 171.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -92.87 -52.17 4.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 65.31 109.624 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -124.01 103.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.746 -0.661 . . . . 74.43 109.474 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 m -97.41 130.11 44.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 75.52 111.23 -173.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.428 HD11 HD23 ' A' ' 108' ' ' LEU . 65.5 mt -107.69 122.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 71.34 109.971 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -110.54 117.47 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.006 -0.368 . . . . 54.54 110.006 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.678 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -128.57 143.18 14.22 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.075 -1.06 . . . . 70.01 112.831 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.594 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 3.2 mmp_? -132.52 -177.07 4.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.28 -0.267 . . . . 41.22 110.28 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.86 98.4 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 72.54 110.038 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 83' ' ' MET . 24.6 t-20 -78.56 118.04 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.065 -0.516 . . . . 75.02 110.197 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -93.67 1.69 56.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.855 0.359 . . . . 70.35 111.41 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.87 -33.01 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 71.31 110.514 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.65 82.78 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.912 -0.661 . . . . 71.34 112.289 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -149.01 102.67 3.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.849 0.357 . . . . 73.12 110.066 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HB1' ' A' ' 82' ' ' ALA . 90.1 Cg_endo -84.87 158.58 11.83 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.703 2.269 . . . . 71.13 113.572 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -129.41 105.72 8.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.648 -0.871 . . . . 72.11 108.648 171.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.478 HD12 ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -81.61 123.38 37.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.618 0.723 . . . . 51.03 110.576 -173.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.15 154.72 22.07 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.461 -0.791 . . . . 73.44 111.731 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 tp -105.79 117.15 33.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.844 0.354 . . . . 62.21 110.521 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -92.66 95.18 9.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.26 -0.427 . . . . 73.22 109.981 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 89' ' ' ALA . 7.4 p -136.6 129.5 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.905 -0.589 . . . . 72.23 109.427 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.14 163.3 25.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.232 -0.285 . . . . 63.12 110.232 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -43.26 76.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 54.41 111.748 -172.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -103.22 16.33 26.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.182 0.438 . . . . 65.44 112.182 -172.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 10.0 m120 -79.87 -23.7 41.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 75.34 109.874 174.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.0 137.75 21.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 74.02 109.708 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.8 -38.62 46.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.277 0.56 . . . . 74.23 110.059 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.6 mmp_? -114.67 114.58 25.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.183 -0.673 . . . . 74.43 109.183 174.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.65 -58.27 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.661 0.985 . . . . 75.24 113.661 -168.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -65.26 -8.81 19.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.69 0.996 . . . . 72.14 113.69 -171.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -74.61 -6.57 49.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.701 0.63 . . . . 54.34 112.701 -175.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.447 ' HD3' ' H ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -69.34 -27.0 64.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.115 -0.634 . . . . 72.15 109.551 176.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.58 -20.66 56.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 71.43 109.915 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -71.64 -52.01 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.635 -0.711 . . . . 72.22 109.435 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.5 -43.14 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.139 -0.937 . . . . 74.15 111.833 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -70.41 -29.21 65.76 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 43.55 111.385 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -76.44 -33.39 58.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 74.41 110.915 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.22 -45.0 78.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.275 0.56 . . . . 72.02 109.835 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.4 p -77.94 -56.99 4.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.74 -0.663 . . . . 71.15 112.43 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.478 ' HG2' HD12 ' A' ' 47' ' ' ILE . 42.4 mtp180 -65.74 -22.3 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.509 0.559 . . . . 73.14 112.509 -170.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -79.88 -44.51 20.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.971 0.415 . . . . 72.32 110.515 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.8 m -60.38 -34.23 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.748 -0.66 . . . . 64.53 111.997 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CD1' HG13 ' A' ' 47' ' ' ILE . 21.7 m-85 -64.3 -23.84 67.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 72.2 111.81 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 74' ' ' ARG . 42.3 mtp180 -106.4 14.67 27.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.366 0.603 . . . . 74.22 110.293 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.49 -49.8 2.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.722 -0.672 . . . . 70.21 109.518 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -97.71 38.07 1.32 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.735 -0.666 . . . . 73.45 109.557 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -14.57 62.69 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.966 0.728 . . . . 63.13 112.966 -168.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -80.33 -27.83 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 74.44 110.794 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' CG ' ' HG3' ' A' ' 76' ' ' ARG . 4.7 mm-40 -87.0 -22.61 25.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.679 -0.691 . . . . 74.53 111.861 -168.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.2 pt? -116.99 152.6 48.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.698 -0.401 . . . . 63.04 110.606 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.16 151.04 60.67 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.612 2.208 . . . . 71.04 111.602 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' ' HD3' ' A' ' 45' ' ' PRO . . . -75.44 78.8 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 63.33 110.936 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.505 ' HA ' ' HB3' ' A' ' 40' ' ' ASN . 65.3 mtt -130.07 153.35 48.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 73.0 109.251 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.2 106.1 17.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.928 0.871 . . . . 41.34 110.805 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.678 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 80.5 m-85 -101.38 100.06 10.49 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.997 -1.002 . . . . 74.43 109.006 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.94 124.68 33.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.465 0.65 . . . . 71.0 110.494 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.1 t -94.38 120.93 44.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.62 -0.718 . . . . 75.33 110.07 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.6 t -113.12 119.95 61.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.431 . . . . 72.23 109.899 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB3' ' HB ' ' A' ' 51' ' ' VAL . . . -92.72 128.06 38.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.124 -0.489 . . . . 62.01 110.579 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.8 mmpt? -91.81 156.31 17.61 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.52 -0.548 . . . . 63.13 109.52 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 14.6 ptmm? -65.06 136.21 56.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 72.25 110.438 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.93 -9.56 40.06 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.617 -0.802 . . . . 72.3 112.257 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.2 -23.52 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.198 0.523 . . . . 64.01 110.812 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.77 9.74 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 61.31 111.357 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.98 13.2 33.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.737 0.779 . . . . 65.43 109.897 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.38 154.5 20.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 71.2 110.664 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.563 ' OD2' ' HB3' ' A' ' 99' ' ' ARG . 5.1 t70 -71.16 143.74 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 75.2 110.209 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.31 -41.01 88.04 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 71.0 111.063 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.563 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 20.7 ttp180 -66.48 -42.54 87.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.181 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -21.97 66.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 73.31 111.995 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.4 mt -60.61 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 73.21 110.651 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.0 t -69.42 -32.43 71.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 55.2 110.148 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.43 -21.38 61.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 43.32 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.02 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.489 . . . . 64.01 110.564 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.11 -45.71 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 70.41 109.989 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 3.1 pt-20 -61.93 -38.33 88.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 65.35 110.671 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.554 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 13.7 mmmm -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.372 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.747 ' HG ' ' HA2' ' A' ' 29' ' ' GLY . 11.0 mp -64.72 -40.01 94.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 74.43 110.552 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.45 -48.82 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.558 -0.292 . . . . 72.41 111.213 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -57.47 -43.81 84.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 73.15 110.374 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.54 -44.32 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.737 -0.665 . . . . 74.34 110.142 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -68.82 -39.75 79.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.475 -0.784 . . . . 73.54 111.672 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.57 -47.46 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.762 0.315 . . . . 65.05 110.84 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -61.45 -39.43 90.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.26 -0.427 . . . . 62.11 110.717 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.33 -36.34 81.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.815 -0.629 . . . . 42.3 110.737 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.0 62.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.396 . . . . 72.04 111.428 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.607 176.595 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 21.0 tt0 . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.907 0.384 . . . . 71.12 111.048 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -59.63 -39.67 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.392 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -73.43 -25.69 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.066 0.46 . . . . 53.11 110.972 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -85.82 -39.27 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 72.01 110.934 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 25' ' ' PRO . 9.8 p -76.62 -27.12 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 61.52 110.917 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.29 -23.93 67.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 74.02 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -67.15 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.913 -0.585 . . . . 62.35 111.262 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -144.47 90.18 6.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.592 -0.276 . . . . 63.04 111.199 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.485 ' HB3' HG22 ' A' ' 21' ' ' VAL . 59.7 Cg_endo -95.98 165.42 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.061 2.507 . . . . 72.14 111.913 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 4.1 pt20 -86.05 106.8 17.46 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.235 -0.654 . . . . 64.25 109.235 173.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -81.76 90.76 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.512 . . . . 71.03 109.774 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB1' ' HG3' ' A' ' 111' ' ' ARG . . . -130.08 106.64 8.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.822 -0.626 . . . . 71.24 110.094 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.0 -160.9 32.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.846 -0.902 . . . . 55.41 110.846 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.9 p -108.62 167.49 9.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.863 0.332 . . . . 54.51 110.171 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 14.7 Cg_exo -69.99 -9.81 26.91 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.636 2.224 . . . . 74.0 111.852 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -89.33 -48.8 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 73.05 109.726 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.63 102.91 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.686 0.755 . . . . 64.4 109.724 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -99.28 110.06 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.541 -0.754 . . . . 63.02 110.926 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.404 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 49.8 mt -92.48 109.62 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 75.15 110.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.93 107.17 16.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.367 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -121.26 150.38 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.43 -0.89 . . . . 71.13 112.491 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -144.07 130.59 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.035 0.445 . . . . 70.33 110.415 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.74 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.2 pt? -72.87 135.59 45.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 62.43 110.77 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -140.21 161.82 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.301 -0.629 . . . . 74.32 109.301 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -60.31 -29.84 69.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.727 0.269 . . . . 63.32 111.727 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.4 -65.01 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.737 -0.468 . . . . 74.31 109.737 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 83' ' ' MET . . . 59.73 54.58 36.39 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.574 -0.739 . . . . 43.15 113.205 174.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.418 ' HB3' HH21 ' A' ' 46' ' ' ARG . 2.5 m-70 -125.13 83.49 60.55 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.007 -0.738 . . . . 74.2 109.007 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 44' ' ' HIS . 1.3 Cg_endo -41.59 95.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.724 3.616 . . . . 72.21 114.781 -166.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' HB3' HE22 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -94.1 86.27 4.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.169 -1.048 . . . . 75.54 108.169 172.274 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 tt -59.64 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.845 0.831 . . . . 64.23 111.434 -174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.07 74.71 1.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.491 -0.777 . . . . 62.22 112.488 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 66' ' ' LYS . 66.9 tp -76.22 115.56 16.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.925 0.393 . . . . 64.41 110.052 177.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.079 -0.509 . . . . 71.02 110.484 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.45 139.23 32.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.887 -0.597 . . . . 55.13 110.162 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.68 -173.84 3.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.397 -0.365 . . . . 74.33 110.264 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -95.43 1.14 54.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.008 0.433 . . . . 74.1 110.854 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -91.49 -20.68 21.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.331 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.8 p-10 -110.18 -29.43 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.895 -0.593 . . . . 71.34 110.009 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.5 t -126.3 94.07 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.802 -0.635 . . . . 64.42 109.698 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -85.97 38.88 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.651 0.738 . . . . 75.22 109.614 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.654 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 21.9 mmt180 -137.75 134.04 34.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 72.2 111.007 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -50.77 16.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 70.14 111.548 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -49.87 51.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.369 0.604 . . . . 73.21 110.045 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.654 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 16.0 mp0 -59.03 -35.13 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.933 -1.03 . . . . 72.54 111.263 -175.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 62' ' ' ARG . 11.8 ttm180 -59.55 -45.73 90.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.221 0.534 . . . . 74.51 110.167 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -70.59 -32.3 69.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.612 -0.722 . . . . 75.33 111.184 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.416 ' NH2' ' HA ' ' A' ' 97' ' ' ASP . 25.8 mtm180 -60.87 -41.61 96.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.727 0.299 . . . . 72.41 110.259 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.9 mm -65.15 -43.12 95.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 74.3 110.383 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.554 ' HG2' HD23 ' A' ' 49' ' ' LEU . 58.7 mtpt -65.16 -40.55 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 64.03 110.887 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.25 -50.1 64.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 111.241 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 101' ' ' LEU . 3.2 tm? -56.57 -48.8 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.083 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 p -68.91 -54.17 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.487 -0.324 . . . . 72.02 111.241 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -59.61 -31.69 69.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.518 . . . . 72.22 111.859 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -81.14 -21.95 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.8 0.333 . . . . 75.54 111.294 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 m -98.68 -44.68 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.009 0.374 . . . . 61.22 112.009 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.404 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 40.6 m-85 -59.84 -37.34 78.98 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.872 0.368 . . . . 73.44 111.643 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -71.45 -32.54 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.004 0.43 . . . . 73.44 111.41 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.9 1.82 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.459 0.54 . . . . 71.12 112.459 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.457 HH21 ' CD ' ' A' ' 79' ' ' GLU . 23.7 mmm180 -114.15 21.75 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.512 -0.551 . . . . 70.44 109.512 176.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.734 ' HA ' HE21 ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.95 -21.18 64.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.174 -0.921 . . . . 73.42 112.171 -175.566 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.36 -45.31 32.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.847 0.356 . . . . 61.1 111.126 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' CD ' HH21 ' A' ' 76' ' ' ARG . 13.4 pt-20 -89.09 -33.97 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 64.11 110.885 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 81' ' ' PRO . 46.3 tp -95.21 111.2 54.12 Favored Pre-proline 0 N--CA 1.448 -0.532 0 N-CA-C 109.011 -0.737 . . . . 52.24 109.011 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 80' ' ' LEU . 10.0 Cg_endo -52.64 137.53 58.78 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.081 2.521 . . . . 75.23 112.412 -176.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.81 104.84 0.21 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.787 -0.642 . . . . 53.32 110.668 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.498 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 26.0 ptt? -147.89 168.62 21.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 52.33 109.431 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.566 ' HB3' ' HG3' ' A' ' 17' ' ' GLN . 3.3 m-20 -96.67 141.53 29.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.01 0.433 . . . . 64.13 110.527 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.06 148.41 26.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 72.1 111.64 -173.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.89 133.69 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 71.51 109.439 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 t -110.52 108.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.86 -0.422 . . . . 73.12 109.86 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.34 104.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.691 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -94.53 125.85 39.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.28 -0.637 . . . . 73.3 109.28 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 31' ' ' PRO . 85.7 mttt -101.98 -161.92 0.89 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.387 . . . . 70.13 111.635 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -78.85 113.28 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.84 -173.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 -10.68 8.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.621 -0.799 . . . . 72.23 112.791 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.9 p -61.5 -22.69 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.087 0.47 . . . . 71.1 111.593 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.9 -6.47 49.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 63.31 111.463 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.81 -16.02 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 72.25 110.469 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.32 114.29 14.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 75.03 110.215 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.416 ' HA ' ' NH2' ' A' ' 64' ' ' ARG . 53.4 m-20 -97.13 -169.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.063 -0.517 . . . . 73.34 111.14 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -47.45 -46.4 26.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.661 0.785 . . . . 64.03 113.093 -172.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -84.95 -37.5 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 75.23 110.602 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.12 98.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.722 -0.672 . . . . 64.21 111.415 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -67.69 -19.89 65.22 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.639 -0.255 . . . . 70.32 111.485 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 m -80.9 -42.93 20.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 72.22 110.289 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.98 -23.08 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.959 -0.564 . . . . 72.23 111.063 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.25 -30.28 30.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.382 . . . . 64.55 110.687 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 108' ' ' LEU . 3.2 tm? -63.49 -47.83 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.761 -0.654 . . . . 72.44 110.298 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -26.36 66.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.507 -177.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -68.45 -60.12 2.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.187 0.517 . . . . 64.31 110.109 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 105' ' ' LEU . 4.2 pp -67.95 -29.67 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 70.42 110.86 -176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -59.83 -60.52 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.51 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -68.3 -25.75 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.563 -0.289 . . . . 75.12 111.552 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HG3' ' HB1' ' A' ' 28' ' ' ALA . 21.2 tpp180 -62.76 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 74.41 110.465 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -85.43 -34.7 21.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 64.42 110.685 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 39.3 t -62.82 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 71.44 110.989 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 114' ' ' ARG . 15.5 mmt180 -98.59 17.05 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 71.41 111.245 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 54.1 tp -117.81 -32.2 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.214 0.531 . . . . 71.31 110.128 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.21 -2.86 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 61.54 111.72 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 . . . . . 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 70.2 110.423 179.025 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 CA--C 1.53 0.199 0 N-CA-C 112.041 0.386 . . . . 73.21 112.041 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.05 -45.46 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 71.43 110.371 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -69.63 -23.39 63.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.095 0.474 . . . . 64.35 110.618 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -78.17 -46.24 21.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.605 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 38' ' ' ARG . 31.4 m -75.18 -24.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 53.22 111.286 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -73.78 -15.53 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.429 -0.35 . . . . 74.01 110.986 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.62 -54.45 46.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 74.31 110.206 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -163.13 96.13 1.08 Allowed Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.825 -0.625 . . . . 74.11 109.609 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.488 ' HG2' HD22 ' A' ' 36' ' ' LEU . 87.8 Cg_endo -94.71 178.42 0.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.339 2.692 . . . . 53.33 112.556 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -91.95 98.52 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.983 -0.553 . . . . 62.53 109.591 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -74.48 102.71 4.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.689 -0.486 . . . . 73.43 109.689 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.64 110.3 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.474 -0.33 . . . . 51.52 110.786 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.05 -170.43 30.77 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.233 -0.747 . . . . 72.13 111.233 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 44.5 p -92.96 171.58 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 117.151 0.475 . . . . 42.22 110.245 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 47.0 Cg_exo -57.95 -45.11 34.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.585 2.19 . . . . 71.4 112.564 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -60.26 -48.51 81.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.468 -0.333 . . . . 70.01 111.297 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tt -114.13 98.68 7.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.895 0.855 . . . . 74.12 110.457 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -98.53 97.47 8.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 72.25 111.017 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.416 ' H ' HD12 ' A' ' 35' ' ' ILE . 4.8 mp -83.36 116.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.762 -0.458 . . . . 64.01 109.762 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 25' ' ' PRO . 90.4 mt -114.65 133.6 55.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.297 -0.41 . . . . 62.25 110.59 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.18 145.59 12.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.856 -0.688 . . . . 61.54 111.81 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HB3' HG12 ' A' ' 21' ' ' VAL . 35.8 ttt85 -142.09 139.6 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.599 -0.519 . . . . 74.33 109.599 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.56 111.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.033 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -142.95 168.43 19.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.35 -0.841 . . . . 74.32 109.044 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -70.9 84.97 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 75.43 110.156 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' ' 83' ' ' MET . 82.3 mt -122.08 -65.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.958 -0.564 . . . . 71.3 109.845 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.15 30.12 74.84 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.941 -0.572 . . . . 63.2 113.178 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 38.3 m80 -134.36 121.37 15.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.949 -0.389 . . . . 75.32 109.949 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 6.8 Cg_exo -72.48 97.44 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.789 2.326 . . . . 55.15 111.381 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -146.09 133.26 20.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.071 -0.513 . . . . 72.45 110.417 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 tt -84.99 117.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.268 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.69 54.26 4.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.06 -0.59 . . . . 72.41 111.912 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.559 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 63.5 tp -62.28 112.95 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.995 0.426 . . . . 40.12 110.68 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -108.81 91.31 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.348 0.594 . . . . 72.44 110.293 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.439 ' HA ' ' ND2' ' A' ' 55' ' ' ASN . 3.1 p -111.08 102.46 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 74.42 110.074 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 174.23 7.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 61.03 111.403 -175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -57.25 -28.45 62.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.567 -0.742 . . . . 72.21 111.951 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -94.24 2.59 55.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 64.52 111.543 -175.325 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.468 HD22 ' HB3' ' A' ' 89' ' ' ALA . 3.8 m-20 -84.85 -48.23 9.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.297 0.57 . . . . 63.24 109.627 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 62' ' ' ARG . 38.8 t -132.47 116.82 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.526 -0.761 . . . . 75.32 109.679 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.99 -35.74 81.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 65.52 110.557 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.09 113.31 9.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.508 . . . . 70.32 109.933 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -63.87 -32.86 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.041 0.448 . . . . 62.24 111.228 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -66.87 -37.46 84.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.156 0.503 . . . . 71.31 110.601 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.51 -18.66 32.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 75.43 112.015 -172.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 5.8 ptp180 -73.47 -13.97 61.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.275 0.56 . . . . 75.4 109.733 175.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.79 -27.44 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 60.22 109.366 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -59.15 -43.93 92.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.324 -0.853 . . . . 75.52 110.813 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.91 -33.76 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 115.943 -0.571 . . . . 62.54 110.837 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 59.8 mttp -66.89 -45.72 77.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.017 -0.538 . . . . 64.14 110.748 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -70.04 -19.68 63.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 74.33 111.374 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 101' ' ' LEU . 3.0 tm? -85.13 -58.51 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 73.34 110.541 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -67.63 -31.3 71.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.454 . . . . 74.01 112.021 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -71.83 -18.16 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.994 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.57 -37.34 79.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 74.12 110.937 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.437 ' OG ' HD11 ' A' ' 105' ' ' LEU . 4.3 m -79.0 -58.88 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.59 . . . . 64.12 111.895 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -62.36 -27.58 69.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.24 0.459 . . . . 73.14 112.24 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 74' ' ' ARG . 20.6 ttt180 -76.56 -25.83 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.371 . . . . 74.21 111.285 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 75' ' ' LEU . 2.0 tm? -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 63.4 110.331 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -95.67 44.53 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.337 0.589 . . . . 74.11 110.002 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -4.79 56.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.878 0.696 . . . . 71.0 112.878 -168.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -110.2 -18.02 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.594 0.59 . . . . 74.32 112.594 -177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' HA ' HH21 ' A' ' 117' ' ' ARG . 41.9 tt0 -72.7 -44.73 61.38 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.653 -0.419 . . . . 74.24 110.073 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.2 pp -92.68 154.86 42.28 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 62.3 110.376 178.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 17.4 Cg_exo -67.68 147.61 76.21 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.801 2.334 . . . . 70.03 112.397 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.05 95.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 70.41 111.054 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.463 ' HG3' HD12 ' A' ' 42' ' ' LEU . 41.4 ttm -147.2 154.88 41.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 71.01 109.843 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.48 92.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.866 -0.42 . . . . 72.11 109.866 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -74.97 94.71 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.619 -0.511 . . . . 73.45 109.619 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -72.19 101.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.261 0.553 . . . . 74.13 110.452 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 58.0 t -86.86 98.0 6.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.663 -0.699 . . . . 73.53 110.1 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.1 t -88.27 102.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.754 -0.657 . . . . 73.21 109.807 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB3' HD22 ' A' ' 55' ' ' ASN . . . -84.36 149.34 26.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.836 -0.62 . . . . 70.4 110.375 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.629 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -109.53 174.79 5.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.589 -0.523 . . . . 63.14 109.589 175.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -76.35 104.54 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 63.42 108.994 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.75 -5.1 1.09 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.673 -0.775 . . . . 61.14 112.308 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.08 -19.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 71.42 111.482 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.9 3.7 55.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 73.44 110.781 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.11 -16.96 33.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 74.3 110.092 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.01 139.13 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 75.53 111.045 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.58 161.43 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.757 -0.656 . . . . 73.25 110.718 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.08 -43.11 77.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.315 -0.402 . . . . 71.34 111.745 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -82.41 -23.43 34.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 75.33 110.714 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.44 71.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.914 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.555 HD13 ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -72.25 -29.42 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.538 -0.301 . . . . 70.4 111.201 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.484 ' N ' HD12 ' A' ' 101' ' ' LEU . 74.5 p -75.63 -25.91 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 63.21 110.15 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -69.6 -52.54 25.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.869 -0.605 . . . . 75.35 109.563 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -59.17 -30.71 68.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.877 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 7.2 tt -54.57 -52.5 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.426 -0.806 . . . . 65.42 110.912 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.554 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.1 OUTLIER -69.08 -26.6 65.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.702 -0.399 . . . . 45.22 111.037 -176.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.554 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.7 mmmt -66.41 -43.35 86.02 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.864 -0.421 . . . . 63.52 109.864 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -78.24 -29.68 48.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 70.31 110.525 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -62.26 -56.62 16.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.265 . . . . 74.12 110.539 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.3 -30.96 70.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.075 0.464 . . . . 72.32 110.579 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -66.08 -43.83 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.818 -0.628 . . . . 74.05 110.326 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.78 -40.8 83.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.482 -0.326 . . . . 74.0 110.798 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.7 -48.92 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.469 0.481 . . . . 65.2 111.395 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.52 -36.28 71.0 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.522 -0.308 . . . . 75.32 111.263 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.12 -47.7 34.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 -0.274 . . . . 72.42 110.717 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.27 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.171 0.51 . . . . 63.13 111.069 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.447 HH21 ' HA ' ' A' ' 79' ' ' GLU . 77.4 mtt180 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 121.503 0.668 . . . . 65.33 109.491 176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' VAL . 79.5 mt-30 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.856 0.36 . . . . 64.11 111.026 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.63 -43.92 76.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 64.14 110.856 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.09 12.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.763 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 52.3 t80 -130.36 -47.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.079 -0.388 . . . . 63.41 111.09 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 17' ' ' GLN . 36.0 m -79.95 -23.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.674 0.273 . . . . 74.21 111.617 -177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -79.14 -7.43 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 73.42 110.667 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 73.9 mt-30 -60.77 -44.53 96.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 54.44 109.91 175.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.85 81.52 14.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 73.34 109.446 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HB2' HD22 ' A' ' 36' ' ' LEU . 52.0 Cg_endo -88.9 110.55 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.656 2.237 . . . . 65.22 112.439 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 140.87 41.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.015 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -79.54 97.57 6.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 65.42 111.201 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.81 145.44 48.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 74.51 110.595 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.14 169.74 43.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.944 -0.645 . . . . 73.35 112.691 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -60.43 141.75 91.24 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.527 0.331 . . . . 74.11 110.331 178.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 30' ' ' THR . 51.0 Cg_exo -54.73 -31.6 72.31 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.789 2.326 . . . . 54.24 112.839 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -66.85 -20.26 65.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 72.14 111.381 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 tt -140.63 93.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.995 0.903 . . . . 74.42 109.436 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 m -86.43 102.22 13.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.534 -0.757 . . . . 73.34 111.588 -171.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.5 HG13 HG13 ' A' ' 87' ' ' VAL . 4.5 mp -79.7 101.55 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.373 -0.602 . . . . 75.43 109.373 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.741 ' HB2' HG13 ' A' ' 86' ' ' VAL . 98.7 mt -82.17 102.85 11.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.383 -0.599 . . . . 74.52 109.383 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.22 144.69 15.8 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.488 -0.863 . . . . 54.4 112.893 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -150.55 138.9 20.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.926 -0.768 . . . . 75.44 108.926 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.6 pt? -61.9 130.25 44.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.883 0.373 . . . . 75.25 110.111 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -134.32 -174.42 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 54.11 110.345 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -107.6 15.08 25.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.89 0.376 . . . . 74.13 110.946 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.26 -59.64 2.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 73.43 110.054 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.93 61.91 5.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.211 -0.519 . . . . 74.11 113.149 174.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' HB3' ' A' ' 84' ' ' ASP . 33.7 m80 -137.11 140.78 32.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 122.672 -0.31 . . . . 74.45 110.589 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 10.8 Cg_exo -72.9 40.59 0.5 Allowed 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 123.177 2.585 . . . . 73.13 112.91 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -90.9 86.66 6.36 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.576 -0.527 . . . . 65.24 109.576 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.56 HD11 ' HB ' ' A' ' 69' ' ' THR . 4.2 tt -71.85 116.71 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.383 -0.826 . . . . 74.44 111.098 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.69 109.99 3.73 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.677 -0.773 . . . . 65.3 112.044 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HG ' HG23 ' A' ' 51' ' ' VAL . 58.1 tp -99.96 130.86 46.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.833 0.349 . . . . 71.42 110.578 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.411 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 24.8 m -110.52 106.92 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 62.51 110.898 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.428 HG23 ' HG ' ' A' ' 49' ' ' LEU . 95.6 t -133.45 124.79 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.481 -0.563 . . . . 70.31 109.481 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.509 ' H ' ' HB2' ' A' ' 55' ' ' ASN . . . -131.89 -170.97 2.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.639 -0.255 . . . . 72.14 111.346 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -55.24 -49.77 71.17 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.922 0.764 . . . . 73.23 112.278 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -84.55 -5.86 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.898 -0.321 . . . . 50.15 111.22 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.509 ' HB2' ' H ' ' A' ' 52' ' ' ALA . 1.6 m-20 -84.95 -57.55 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.294 -0.632 . . . . 53.12 109.294 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.687 ' HB ' ' HG2' ' A' ' 62' ' ' ARG . 42.6 t -133.88 116.99 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.923 -0.769 . . . . 74.12 108.923 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -82.49 -25.67 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.255 -0.429 . . . . 75.41 111.908 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.1 136.66 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.393 . . . . 72.31 111.052 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.06 89.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.715 -0.675 . . . . 62.53 112.736 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -60.3 -35.18 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 74.4 111.217 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' ILE . 10.6 mm-40 -76.36 -26.21 55.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.904 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.687 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 20.5 mtm180 -65.69 -38.66 89.87 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.141 -0.688 . . . . 72.12 109.141 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.4 -30.84 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.281 -0.872 . . . . 73.23 110.48 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -66.68 -36.07 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.42 109.908 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.3 mm -67.4 -31.82 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.262 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HG2' HD23 ' A' ' 49' ' ' LEU . 94.1 mttt -67.1 -12.46 60.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 71.32 111.041 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 60.9 mtp180 -96.12 -46.22 6.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.347 . . . . 71.22 110.461 175.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.56 -44.71 13.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.65 0.594 . . . . 62.41 110.917 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.56 ' HB ' HD11 ' A' ' 47' ' ' ILE . 18.8 p -85.33 -58.18 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.958 -0.564 . . . . 72.15 111.934 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -62.66 -26.84 68.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 74.03 112.583 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 2.1 tp10 -74.4 -37.63 63.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 71.33 110.284 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 p -91.78 -45.63 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.338 0.495 . . . . 61.3 112.338 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -57.78 -36.54 72.31 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 71' ' ' GLU . 17.8 ptt-85 -82.0 -23.26 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.795 -0.362 . . . . 73.43 111.034 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.59 4.34 53.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.333 0.587 . . . . 74.12 110.848 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.509 ' HD3' ' CD1' ' A' ' 109' ' ' TRP . 94.2 mtt180 -126.4 26.59 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.985 -0.552 . . . . 60.34 109.971 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -59.49 -26.51 65.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.35 0.87 . . . . 71.24 113.35 -172.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -91.48 1.02 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.23 0.538 . . . . 75.13 110.911 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG2' ' HZ2' ' A' ' 109' ' ' TRP . 7.4 tp10 -132.31 27.72 4.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.515 -0.92 . . . . 71.44 108.515 176.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.42 124.81 15.13 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.806 -1.088 . . . . 65.14 109.923 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.19 121.36 9.87 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.101 1.867 . . . . 72.45 110.727 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' HE3' ' A' ' 83' ' ' MET . . . -68.41 83.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 72.22 111.296 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 1.6 mmt -140.76 150.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.654 -0.869 . . . . 74.43 108.654 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.525 ' HB3' ' O ' ' A' ' 44' ' ' HIS . 5.4 p-10 -93.54 134.06 36.2 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.951 0.405 . . . . 74.42 110.333 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 83' ' ' MET . 30.3 m-85 -126.98 163.9 22.67 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.942 -0.572 . . . . 61.01 110.918 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.741 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.0 p -114.42 112.56 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.543 0.687 . . . . 72.01 109.564 173.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.5 HG13 HG13 ' A' ' 35' ' ' ILE . 40.6 t -96.8 112.62 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.825 -175.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.411 ' HA ' ' HB ' ' A' ' 50' ' ' THR . 39.5 t -100.57 103.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.999 0.428 . . . . 74.23 110.345 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 125.32 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 73.41 109.781 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.7 mmmm -100.19 169.22 9.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.79 0.329 . . . . 65.0 110.579 -175.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.37 110.76 4.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.381 0.61 . . . . 74.22 109.779 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.522 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 149.66 -43.75 0.75 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.765 -0.934 . . . . 45.22 110.765 -176.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 90' ' ' LYS . 13.5 p -66.75 -21.56 28.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.515 0.674 . . . . 62.11 110.31 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -17.95 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.67 -0.696 . . . . 62.43 110.728 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.37 75.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.619 . . . . 74.31 110.291 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 85.5 mt -142.23 158.73 43.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 71.55 109.647 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.9 149.72 46.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 75.2 110.346 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -61.25 -32.6 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.713 0.768 . . . . 73.33 109.161 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -63.6 -36.21 83.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.614 -1.175 . . . . 73.14 110.417 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.21 52.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 50.31 111.1 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 91.0 mt -60.37 -38.2 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 74.22 110.045 176.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 t -64.97 -37.15 86.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.84 -0.618 . . . . 62.32 110.328 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 26.1 mm-40 -66.78 -45.77 77.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 34.14 110.609 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.13 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.942 -0.572 . . . . 64.24 111.748 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 101' ' ' LEU . 93.8 mt -59.02 -38.98 80.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.16 -0.473 . . . . 61.12 112.098 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.44 -26.28 23.35 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.755 -0.378 . . . . 73.51 111.653 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 31.1 mmmt -61.89 -40.5 95.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 74.23 110.884 -176.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -84.37 5.51 26.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 75.31 111.351 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.509 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 28.0 t90 -114.44 -47.02 2.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.248 -0.433 . . . . 74.21 111.272 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -57.71 -56.7 18.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.76 0.314 . . . . 72.12 110.481 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -59.56 -27.95 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 71.32 110.715 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -70.2 -55.22 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.438 . . . . 73.52 111.107 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.18 -40.18 62.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 71.45 110.724 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -60.66 -39.73 89.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.473 -0.33 . . . . 75.23 110.886 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.9 -42.49 90.13 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.771 0.32 . . . . 44.42 110.198 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 24.24 111.338 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 62.34 111.468 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 . . . . . 0 C--O 1.227 -0.091 0 N-CA-C 111.385 0.143 . . . . 75.31 111.385 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.35 -33.3 70.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 70.04 110.282 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -91.48 -26.37 18.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.255 0.55 . . . . 71.32 110.28 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -20.1 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 73.24 110.885 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.512 HG12 ' NE ' ' A' ' 38' ' ' ARG . 30.7 m -95.04 -7.85 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 74.53 110.893 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -85.43 9.3 16.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 72.25 111.406 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 12.8 mm-40 -75.98 -54.59 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 65.43 110.463 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -156.46 88.8 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.16 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -86.77 131.14 3.24 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.936 2.424 . . . . 73.41 111.757 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 13.5 pt20 -82.53 128.57 34.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 72.33 110.158 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.2 106.24 3.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.622 -0.717 . . . . 72.12 110.659 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.19 66.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 31.42 111.001 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.15 -159.7 9.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.919 -0.658 . . . . 33.41 112.077 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.1 p -120.68 166.81 14.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 110.11 -0.33 . . . . 74.32 110.11 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.2 -22.64 53.55 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.568 2.179 . . . . 74.12 112.204 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -86.64 -38.61 16.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 71.01 110.313 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 tt -148.14 118.24 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.338 0.589 . . . . 73.05 109.954 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -106.26 119.47 39.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 75.41 111.53 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.525 HG13 HG13 ' A' ' 87' ' ' VAL . 4.1 mp -95.02 104.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.571 -0.529 . . . . 53.3 109.571 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 86' ' ' VAL . 97.0 mt -92.65 132.05 37.22 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.705 -0.479 . . . . 74.03 109.705 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.53 161.11 22.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.009 -1.091 . . . . 73.43 112.483 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NE ' HG12 ' A' ' 21' ' ' VAL . 23.1 ptt180 -129.44 151.58 49.92 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.846 -0.427 . . . . 71.24 109.846 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.57 100.93 4.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 63.04 110.588 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -133.18 86.05 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.148 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 m -83.68 36.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 73.22 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.25 7.23 40.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 62.14 110.29 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.82 55.39 11.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.25 -0.5 . . . . 62.51 113.022 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -120.16 90.85 45.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 122.62 -0.341 . . . . 75.45 110.732 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.28 96.44 0.47 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.655 2.236 . . . . 70.31 111.877 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.596 ' HB3' ' HA ' ' A' ' 84' ' ' ASP . 10.9 tpp180 -115.33 112.66 22.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.885 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.6 tt -93.6 80.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 122.096 0.951 . . . . 71.14 108.775 171.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.89 70.35 3.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.288 -0.869 . . . . 74.03 112.316 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.634 ' HG ' HG23 ' A' ' 51' ' ' VAL . 32.3 tp -65.31 119.72 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.954 0.407 . . . . 74.53 110.232 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -109.83 84.43 1.92 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.276 0.56 . . . . 72.25 110.216 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.634 HG23 ' HG ' ' A' ' 49' ' ' LEU . 86.6 t -113.62 91.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.311 0.577 . . . . 73.41 109.821 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.14 140.41 47.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.568 -0.742 . . . . 64.13 110.026 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -73.85 55.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.846 0.831 . . . . 54.34 111.647 -179.752 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -150.46 -26.95 0.23 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.829 -1.078 . . . . 73.43 109.726 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -85.14 -30.76 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.799 -0.637 . . . . 74.3 109.693 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -100.02 111.34 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 71.33 108.981 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.98 -42.75 69.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 75.33 111.716 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.631 ' HB3' ' HG2' ' A' ' 61' ' ' GLU . 2.3 tpm_? -94.91 116.04 28.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.244 -0.651 . . . . 75.31 109.244 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -57.81 -40.46 80.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.098 0.777 . . . . 70.34 113.098 -170.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.49 -16.15 63.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.914 0.339 . . . . 75.42 111.914 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.631 ' HG2' ' HB3' ' A' ' 58' ' ' ARG . 12.1 mm-40 -83.01 -17.18 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.915 0.339 . . . . 72.22 111.915 -171.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 27.0 ptt180 -69.91 -14.57 62.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.79 0.329 . . . . 71.41 111.728 -175.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -67.23 -27.55 67.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.408 -0.36 . . . . 75.2 111.782 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 3.9 mpt_? -76.91 -26.55 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 63.42 110.756 -176.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.66 -43.0 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.581 . . . . 71.21 110.67 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.639 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 42.9 pttt -73.57 -30.64 63.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 60.43 110.758 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -69.11 -48.02 63.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 65.01 110.709 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.64 -48.38 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 74.33 110.12 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 p -69.17 -38.41 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.086 -0.506 . . . . 74.14 111.328 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.639 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.9 -52.95 62.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 72.34 110.622 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.04 -32.13 72.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.495 -0.321 . . . . 75.5 111.081 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -71.71 -38.04 70.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 74.11 110.627 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -59.77 -41.99 92.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.108 0.48 . . . . 71.35 110.421 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 5.2 ptm180 -88.33 9.81 21.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 75.35 111.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.7 tp -100.35 -29.83 12.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.741 0.305 . . . . 71.13 111.06 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.626 ' NH2' ' HA ' ' A' ' 113' ' ' CYS . 29.3 ttt180 -113.03 21.97 14.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.143 0.423 . . . . 74.53 112.143 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -12.75 47.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.646 -0.659 . . . . 54.33 111.831 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -85.3 -12.87 51.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.964 0.411 . . . . 54.41 110.48 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.06 9.22 3.0 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.156 0.503 . . . . 45.52 110.571 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.529 HD12 ' HD2' ' A' ' 81' ' ' PRO . 34.2 tp -128.75 125.84 23.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 71.3 111.281 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' A' ' 80' ' ' LEU . 2.7 Cg_exo -76.33 110.37 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.76 2.307 . . . . 74.43 110.667 169.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 108.5 2.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 74.32 111.291 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.7 mtm -125.39 -166.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.916 -0.584 . . . . 72.55 110.585 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.596 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 11.6 t70 -93.35 116.42 28.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.575 -0.739 . . . . 64.14 110.092 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -133.24 140.72 47.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 74.22 110.666 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 36' ' ' LEU . 15.5 m -113.99 120.84 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.367 0.604 . . . . 75.02 110.1 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.525 HG13 HG13 ' A' ' 35' ' ' ILE . 37.2 t -98.01 102.51 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.841 -0.618 . . . . 72.01 110.758 -174.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.17 111.18 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 70.24 110.506 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -88.75 135.45 33.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.869 -0.605 . . . . 43.53 110.966 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.27 172.45 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.262 -0.426 . . . . 64.32 110.406 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 44.6 mtpt -65.04 130.89 45.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.032 0.444 . . . . 73.3 110.789 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.92 -6.43 47.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.696 -0.764 . . . . 63.54 112.347 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.546 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.5 p -60.43 -26.98 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.939 0.4 . . . . 71.32 111.519 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.41 -13.7 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.49 . . . . 75.41 111.136 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.18 56.58 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.872 0.844 . . . . 73.22 109.661 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 2.7 pp -96.84 169.48 9.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.074 -0.967 . . . . 71.31 111.211 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.28 149.65 43.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.739 -0.664 . . . . 72.31 109.516 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -60.59 -33.18 72.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.817 0.342 . . . . 74.55 111.6 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 22.6 ttm180 -80.13 -45.9 17.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.625 -0.509 . . . . 74.32 109.625 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.22 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 74.1 112.53 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 102' ' ' SER . 4.6 pp -64.12 -27.22 68.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.689 0.281 . . . . 74.45 111.202 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 101' ' ' LEU . 14.6 t -80.43 -29.91 37.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.104 0.478 . . . . 73.53 109.815 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 35.7 mt-10 -74.07 -36.62 64.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 73.55 110.087 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.703 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -80.19 -20.73 44.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 74.03 111.053 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.71 -43.19 94.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 62.04 110.385 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.466 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -72.12 -18.74 61.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.33 110.94 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.703 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.2 mmmt -68.26 -46.59 70.04 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.383 -0.599 . . . . 63.33 109.383 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.87 -31.28 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.485 -0.779 . . . . 63.32 110.484 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -63.76 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 74.11 109.9 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -67.72 -30.17 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 72.15 111.842 -173.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -59.83 -34.61 73.31 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.103 0.478 . . . . 72.24 110.838 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -105.83 15.36 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 64.15 110.269 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.626 ' HA ' ' NH2' ' A' ' 76' ' ' ARG . 42.0 t -99.02 -63.13 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.757 -0.656 . . . . 65.41 110.232 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.04 -45.24 95.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 74.03 111.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 71.13 111.055 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.2 -26.75 42.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.29 -0.413 . . . . 73.42 111.375 -177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 . . . . . 0 C--N 1.329 -0.284 0 N-CA-C 111.755 0.279 . . . . 74.53 111.755 -174.703 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.157 -0.682 . . . . 74.04 109.157 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.5 -25.08 65.81 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.302 -0.863 . . . . 74.25 111.128 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.1 m -77.14 -41.66 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 72.11 110.869 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -83.34 -27.14 29.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.417 -0.356 . . . . 70.0 110.911 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 9.3 p -67.5 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.148 0.499 . . . . 54.23 110.377 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.85 -22.03 40.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 74.03 109.889 176.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.01 -53.43 10.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 72.13 110.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -147.29 94.78 4.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.869 -0.605 . . . . 73.04 109.899 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HB2' HD22 ' A' ' 36' ' ' LEU . 89.8 Cg_endo -86.2 159.96 9.91 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.971 2.447 . . . . 53.31 113.419 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 40.7 mt-30 -99.23 140.96 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.919 . . . . 72.34 108.517 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.26 103.41 13.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.871 0.367 . . . . 73.33 110.372 -175.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.96 169.39 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 71.51 110.497 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 -145.13 19.53 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.865 -0.683 . . . . 63.43 112.312 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.584 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 55.5 p -123.34 169.59 9.87 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 75.21 110.346 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.584 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 17.6 Cg_endo -60.09 -14.44 28.53 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 72.41 112.314 172.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.12 -53.59 4.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.673 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.551 HD13 HD21 ' A' ' 108' ' ' LEU . 8.6 tt -112.57 100.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.522 0.677 . . . . 65.22 110.028 176.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.524 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 20.8 m -94.25 119.07 32.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.598 -0.728 . . . . 70.05 111.187 -176.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -101.97 132.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.715 -0.675 . . . . 44.55 109.736 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 25' ' ' PRO . 75.9 mt -103.37 -96.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 73.04 111.078 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.71 121.91 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.938 -0.649 . . . . 33.01 113.063 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.7 mmt180 -138.68 98.91 3.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.094 0.473 . . . . 74.43 111.032 175.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.5 tp -82.77 88.45 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 64.05 110.509 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.37 -49.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 63.5 110.422 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -165.59 92.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 62.31 110.497 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 tp -170.42 -66.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.218 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 82' ' ' ALA . . . 70.32 21.63 77.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.986 -0.626 . . . . 42.32 112.89 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.4 t-80 -132.11 116.51 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.653 -0.499 . . . . 71.35 109.653 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 83' ' ' MET . 47.3 Cg_exo -57.12 143.78 92.1 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 123.384 2.723 . . . . 75.13 113.834 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -141.66 118.95 11.43 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.392 -0.822 . . . . 73.44 109.555 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 47' ' ' ILE . 9.3 tt -81.77 86.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 122.045 0.926 . . . . 60.03 109.861 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.46 67.33 3.48 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.481 -0.781 . . . . 53.45 112.208 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.514 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 55.4 tp -64.81 99.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.214 0.53 . . . . 62.24 110.13 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -105.54 96.77 6.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.714 -0.675 . . . . 70.3 110.391 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.458 HG12 ' HB3' ' A' ' 89' ' ' ALA . 27.2 m -97.33 138.79 21.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.779 -0.646 . . . . 74.42 110.716 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' ND2' ' A' ' 55' ' ' ASN . . . -83.77 153.91 23.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.223 -0.444 . . . . 53.1 110.15 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -82.25 7.39 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.317 0.58 . . . . 73.21 110.151 -175.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -115.31 -5.57 12.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.431 -0.804 . . . . 71.41 110.631 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 52' ' ' ALA . 81.3 m-20 -101.52 -54.19 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 54.14 111.142 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -81.8 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 71.42 109.835 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.816 ' HG3' ' HD3' ' A' ' 58' ' ' ARG . 13.2 ptm180 -90.59 -23.72 20.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.045 -0.525 . . . . 75.32 111.699 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.816 ' HD3' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -109.47 137.44 47.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.245 -0.28 . . . . 72.32 110.245 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.94 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 74.14 111.55 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -71.97 -8.79 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.153 0.427 . . . . 72.51 112.153 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 94' ' ' ALA . 0.6 OUTLIER -88.64 -23.39 23.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 73.31 110.468 173.648 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -66.3 -38.13 87.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 63.53 110.296 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -89.17 -0.03 57.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.822 -0.627 . . . . 73.01 110.638 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 23.0 ttt180 -94.23 -43.83 8.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.702 -0.681 . . . . 74.01 110.413 -176.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.17 -36.39 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.931 -0.577 . . . . 73.14 111.473 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 17.1 ptpt -80.98 10.19 5.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.766 0.317 . . . . 71.2 111.847 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -90.03 -47.57 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 73.54 109.608 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.61 -43.72 79.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 64.35 109.982 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' A' ' 66' ' ' LYS . 9.5 p -71.95 -25.31 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 54.42 111.773 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -60.06 -38.12 81.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 72.45 111.451 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.0 -37.3 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 71.15 111.961 -173.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -69.7 -12.2 61.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.336 0.495 . . . . 71.23 112.336 -172.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.24 10.39 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.973 0.36 . . . . 72.42 111.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -139.18 -36.07 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.404 -0.519 . . . . 60.5 112.327 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.2 19.67 0.16 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.857 0.688 . . . . 65.44 112.857 -173.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -136.61 27.78 3.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.678 -0.489 . . . . 74.52 109.678 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.419 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -64.86 -13.14 55.32 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.754 1.02 . . . . 62.23 113.754 -169.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -77.88 -42.93 31.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.423 -0.511 . . . . 74.11 110.421 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -122.72 84.44 2.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.192 0.52 . . . . 75.0 109.684 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 tp -171.59 135.12 0.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.159 -0.928 . . . . 63.5 109.556 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HG2' ' HG ' ' A' ' 115' ' ' LEU . 23.0 Cg_exo -65.32 111.6 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.349 2.032 . . . . 71.21 111.541 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' HA2' ' A' ' 43' ' ' GLY . . . -76.55 98.43 4.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 71.33 111.197 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 26.5 ptt? -145.02 -165.54 2.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.66 -0.7 . . . . 51.41 109.253 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.582 ' OD2' HG23 ' A' ' 86' ' ' VAL . 2.4 p-10 -76.42 157.31 32.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.403 -0.591 . . . . 65.03 109.403 176.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HE2' ' HB3' ' A' ' 45' ' ' PRO . 82.2 m-85 -132.71 75.73 1.65 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.965 -0.383 . . . . 74.42 109.965 176.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.582 HG23 ' OD2' ' A' ' 84' ' ' ASP . 58.7 t -67.93 103.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 75.11 109.528 174.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.514 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 47.1 t -93.49 99.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.682 -0.69 . . . . 64.55 109.775 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 21.8 t -85.85 96.54 5.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.617 -0.512 . . . . 72.34 109.617 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB3' HG12 ' A' ' 51' ' ' VAL . . . -80.95 109.12 15.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.761 -0.654 . . . . 64.51 110.796 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.12 174.42 8.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.444 -0.798 . . . . 73.31 109.295 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.21 158.07 35.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.54 -0.541 . . . . 72.12 109.54 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.24 -23.1 29.62 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.61 -0.805 . . . . 62.44 111.37 -172.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -74.59 -32.08 28.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.838 0.352 . . . . 60.34 110.306 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . . . -80.61 63.9 5.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.374 0.607 . . . . 74.34 109.746 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -175.18 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.927 -1.033 . . . . 62.43 109.468 -173.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.35 115.09 3.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.483 -0.78 . . . . 71.35 111.877 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.85 163.77 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.166 -0.925 . . . . 70.15 110.518 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -50.97 -39.39 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.74 0.305 . . . . 73.2 111.197 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 13.9 ttm180 -65.65 -48.82 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 72.25 110.505 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.27 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 70.42 111.479 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.29 -45.39 94.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.158 0.504 . . . . 73.41 110.75 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -69.83 -38.22 76.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.908 -0.587 . . . . 74.31 110.993 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 29.4 mt-10 -77.15 -17.17 58.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 74.42 111.237 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.75 25.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.48 -0.327 . . . . 71.25 110.788 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 73.41 110.581 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.72 -31.87 73.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 74.44 111.132 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.61 -33.22 75.43 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.989 0.423 . . . . 72.32 110.218 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 33' ' ' ILE . 11.3 mp -72.0 -41.05 68.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 72.24 110.152 175.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -65.59 -42.38 91.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 73.1 111.205 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -59.17 -28.73 66.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.187 -0.46 . . . . 51.44 111.185 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -86.3 -37.34 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.887 0.375 . . . . 64.45 110.411 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -63.82 -45.04 91.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.26 -0.427 . . . . 74.21 111.287 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.67 -42.29 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.469 0.48 . . . . 75.32 111.14 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 114' ' ' ARG . 11.2 mmt180 -71.33 -37.73 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 74.34 111.138 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.415 ' HG ' ' HG2' ' A' ' 81' ' ' PRO . 48.9 tp -68.53 -30.21 68.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.481 . . . . 71.32 110.689 -178.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -17.4 56.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 75.21 112.262 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.983 -0.287 . . . . 73.42 111.632 -177.161 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 . . . . . 0 N--CA 1.468 0.436 0 CA-C-O 120.626 0.25 . . . . 64.23 111.668 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' HG21 ' A' ' 86' ' ' VAL . 78.0 m-85 -59.49 -40.58 87.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.198 -0.456 . . . . 64.14 111.108 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -88.56 -21.39 24.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 50.44 110.523 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -70.51 -42.08 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 74.24 111.175 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 38' ' ' ARG . 35.0 m -71.06 -24.13 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.495 -0.321 . . . . 64.41 111.421 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.39 -13.48 61.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 63.3 111.456 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.23 -33.3 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 61.03 110.785 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.91 89.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.26 -1.015 . . . . 74.11 108.26 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -97.16 170.35 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.441 2.761 . . . . 65.41 113.897 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -89.58 126.06 35.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.16 -0.927 . . . . 73.41 108.999 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.07 87.09 6.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 74.44 110.528 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.42 156.04 21.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 63.41 110.663 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.39 -145.61 17.7 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.769 -0.729 . . . . 42.11 112.427 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.474 ' HB ' ' CD ' ' A' ' 31' ' ' PRO . 23.7 p -133.92 173.3 6.0 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.334 -0.247 . . . . 71.51 110.334 -177.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' HB ' ' A' ' 30' ' ' THR . 23.4 Cg_exo -67.02 -11.71 33.31 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 74.54 112.853 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.499 HE22 HD23 ' A' ' 96' ' ' LEU . 21.0 pt20 -95.16 -31.48 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 62.12 110.148 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.8 tt -142.19 105.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.546 0.689 . . . . 70.54 109.728 176.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 m -103.44 125.27 49.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 74.54 111.054 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.511 HG13 HG13 ' A' ' 87' ' ' VAL . 3.6 mp -96.63 110.01 24.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.33 -0.619 . . . . 43.45 109.33 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.98 90.95 7.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.171 0.51 . . . . 75.42 109.969 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.76 162.6 17.48 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.561 -0.745 . . . . 74.13 111.383 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.552 ' HB3' HG12 ' A' ' 21' ' ' VAL . 20.3 ttt180 -166.72 124.63 1.35 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.281 -0.266 . . . . 65.44 110.281 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.9 pt? -56.25 126.8 27.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 74.33 109.522 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -153.17 155.68 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 74.0 110.443 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 m -84.89 95.42 9.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.233 0.54 . . . . 63.42 110.758 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -166.59 -47.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.224 -0.898 . . . . 73.12 109.094 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 68.69 48.05 52.21 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.822 -0.626 . . . . 60.14 111.851 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -109.13 89.65 7.05 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-O 120.995 0.426 . . . . 73.1 109.914 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 72.9 Cg_endo -83.41 84.28 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.346 2.031 . . . . 41.34 112.789 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -136.82 130.78 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD11 ' HB ' ' A' ' 69' ' ' THR . 10.0 tt -66.95 122.04 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.289 0.566 . . . . 54.23 110.528 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.51 53.06 0.67 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.768 -0.729 . . . . 63.43 112.606 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD21 HG22 ' A' ' 65' ' ' ILE . 33.6 tp -73.28 115.63 12.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.223 -0.288 . . . . 73.44 110.223 177.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -120.68 116.69 25.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.662 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -91.6 127.83 43.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.186 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.49 150.68 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 74.34 110.894 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -80.4 72.86 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 73.41 110.532 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -155.33 17.43 0.41 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.285 -0.87 . . . . 60.44 109.483 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.72 -64.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.888 -1.051 . . . . 75.43 109.577 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.2 t -104.74 116.55 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.656 -0.498 . . . . 72.21 109.656 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -106.59 -68.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 64.51 110.184 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 58' ' ' ARG . 18.0 mmt180 -131.94 98.35 4.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.312 0.577 . . . . 73.04 110.828 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.63 162.31 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.016 -0.993 . . . . 63.3 108.836 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -71.75 -13.32 61.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 70.42 110.201 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.1 mp0 -75.85 -5.13 44.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.259 -0.882 . . . . 53.11 111.033 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -45.15 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 70.43 109.587 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -87.59 -14.64 39.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 55.22 110.327 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 17.6 tpp180 -57.04 -48.61 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 72.41 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.552 HG22 HD21 ' A' ' 49' ' ' LEU . 37.4 mm -62.95 -42.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.557 -0.747 . . . . 64.23 111.153 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 66' ' ' LYS . 19.0 ptmt -82.06 -14.76 55.38 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.575 -0.45 . . . . 71.23 111.515 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -73.36 -54.8 7.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.982 0.42 . . . . 73.24 110.134 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -47.27 81.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.258 -0.883 . . . . 60.32 110.643 -176.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.471 ' HB ' HD11 ' A' ' 47' ' ' ILE . 23.3 p -71.62 -37.24 70.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 71.4 112.121 -176.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -66.0 -47.01 75.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 54.54 110.854 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.25 -32.11 68.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.806 -0.634 . . . . 70.14 111.186 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 p -76.84 -39.4 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.688 0.28 . . . . 73.42 110.768 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.37 -39.09 89.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.121 0.486 . . . . 73.53 110.443 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.66 -13.01 61.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.56 -0.746 . . . . 71.14 111.501 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 tp -109.55 -8.08 15.05 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.695 -0.402 . . . . 72.3 110.991 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -124.29 16.93 9.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.118 0.414 . . . . 74.24 112.118 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -19.26 63.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.039 0.385 . . . . 73.4 112.039 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -93.84 -10.71 33.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 71.32 109.969 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.67 2.46 53.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.536 -0.757 . . . . 53.52 109.704 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.54 156.54 60.05 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.272 -0.876 . . . . 64.34 109.993 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.54 148.27 53.49 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.741 2.294 . . . . 61.22 111.709 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -62.78 102.38 0.34 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.932 0.396 . . . . 54.42 110.748 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.0 ttm -148.98 152.36 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.624 -175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.68 120.4 21.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 74.23 110.288 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -116.5 105.83 12.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.102 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG21 ' HA ' ' A' ' 18' ' ' PHE . 49.6 t -88.24 105.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 53.01 110.053 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 35' ' ' ILE . 14.9 t -95.31 113.94 30.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.236 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.3 t -104.46 115.49 46.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.262 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -74.44 134.7 42.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 73.44 110.514 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -103.49 170.7 7.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.645 -0.502 . . . . 72.52 109.645 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -74.52 113.83 12.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.268 0.556 . . . . 70.1 111.001 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.08 -8.23 8.05 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.393 -0.821 . . . . 52.23 112.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 32' ' ' GLN . 13.5 p -68.73 -35.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.002 0.371 . . . . 74.01 112.002 -177.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -90.35 9.87 27.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 73.05 111.03 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -122.85 74.76 1.23 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.277 0.56 . . . . 50.41 110.099 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.499 HD23 HE22 ' A' ' 32' ' ' GLN . 1.1 pp -135.97 172.75 12.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.742 -0.663 . . . . 65.32 110.72 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.7 166.46 21.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 74.23 111.156 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.449 HD22 ' C ' ' A' ' 98' ' ' ASN . 0.2 OUTLIER -58.94 -46.05 88.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 45.42 110.149 177.113 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 14.9 ptm180 -63.02 -27.91 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 72.0 111.588 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.63 -20.41 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 73.5 111.455 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.89 -52.27 66.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.99 0.424 . . . . 70.21 110.502 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -70.98 -33.15 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 74.22 110.706 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 44.8 mt-10 -67.9 -50.73 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 72.0 110.823 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.36 -27.04 64.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.484 -0.326 . . . . 74.03 111.403 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.92 -53.4 56.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.53 . . . . 72.04 111.339 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 109' ' ' TRP . 13.3 pt-20 -75.32 -17.99 60.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.657 -0.417 . . . . 61.1 110.988 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 14.4 mmmm -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 72.25 110.359 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.47 -36.87 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.11 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 25.5 t90 -61.56 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.536 -0.757 . . . . 75.12 111.104 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -57.65 -30.07 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 70.35 111.338 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -62.31 -46.39 88.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 72.54 111.001 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -26.52 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 72.25 110.95 -174.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.54 -42.56 95.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.931 0.396 . . . . 62.32 110.756 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -69.03 -47.15 66.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.939 -0.573 . . . . 70.32 110.379 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.8 tp -67.51 -27.14 66.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.95 -0.568 . . . . 71.04 111.484 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.85 -12.01 61.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 71.55 111.33 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 . . . . . 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 74.45 109.724 178.156 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.513 ' HA ' HD21 ' A' ' 40' ' ' ASN . 3.1 pt20 . . . . . 0 CA--C 1.53 0.18 0 N-CA-C 112.403 0.52 . . . . 71.03 112.403 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -67.88 -36.99 81.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 74.52 111.327 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 20.1 m -69.85 -45.5 67.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 54.42 111.579 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.82 -42.15 99.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.34 111.423 -174.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 38' ' ' ARG . 11.7 p -78.39 -20.55 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 54.45 111.232 -176.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.56 -36.48 63.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 73.21 111.503 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.5 mm-40 -61.28 -57.88 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 71.45 111.742 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -133.79 82.8 49.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 61.52 110.613 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HB2' HD22 ' A' ' 36' ' ' LEU . 96.0 Cg_endo -82.67 144.05 12.3 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.803 2.336 . . . . 75.14 113.015 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -84.58 127.8 34.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.21 -0.663 . . . . 73.42 109.21 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -85.57 94.0 8.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.903 0.382 . . . . 73.34 110.061 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.46 168.72 9.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 64.41 110.792 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.577 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 90.23 -117.2 4.99 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.872 -0.68 . . . . 72.42 112.31 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.515 HG22 ' HD2' ' A' ' 31' ' ' PRO . 3.6 m -144.58 151.48 50.51 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.303 -0.629 . . . . 71.13 109.303 -177.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HD2' HG22 ' A' ' 30' ' ' THR . 73.1 Cg_exo -54.81 -29.11 61.28 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.156 1.904 . . . . 74.41 112.521 172.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -79.05 -39.93 32.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.061 0.458 . . . . 71.33 110.783 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 tt -131.29 97.31 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.912 0.863 . . . . 72.3 109.191 174.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -95.34 122.76 38.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.323 -0.853 . . . . 71.21 112.011 -168.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 HD12 ' A' ' 108' ' ' LEU . 53.3 mt -97.04 114.45 34.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.675 -0.693 . . . . 61.44 109.816 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 25' ' ' PRO . 84.7 mt -100.32 103.75 15.17 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.41 -0.589 . . . . 65.5 109.41 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.03 148.89 18.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.648 -0.787 . . . . 54.02 112.829 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HB2' HG23 ' A' ' 21' ' ' VAL . 17.5 mmt180 -158.39 146.62 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.167 0.587 . . . . 72.15 109.596 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.742 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -67.52 104.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.361 -0.607 . . . . 45.23 109.361 175.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.513 HD21 ' HA ' ' A' ' 17' ' ' GLN . 3.4 t-20 -90.19 159.46 16.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.941 -0.572 . . . . 71.3 111.239 -171.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.81 -19.93 24.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 71.21 110.904 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -64.32 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.838 -0.801 . . . . 72.05 108.838 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.95 46.74 10.2 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.698 -0.763 . . . . 61.2 113.234 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 16.9 t60 -131.67 84.43 54.95 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.594 -0.891 . . . . 55.02 108.594 175.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -31.87 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 124.824 3.683 . . . . 73.43 115.314 -168.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 44' ' ' HIS . 18.3 mmm180 -116.41 111.26 19.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.177 -0.919 . . . . 75.21 108.983 170.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.8 tt -69.7 100.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.535 0.684 . . . . 62.12 110.143 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.594 ' HA3' HG12 ' A' ' 86' ' ' VAL . . . -77.05 63.69 3.19 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.675 -0.693 . . . . 45.34 112.893 -176.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.73 113.06 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.943 0.401 . . . . 74.2 110.29 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -107.43 94.12 4.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.196 0.522 . . . . 72.53 109.975 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.0 91.0 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.661 0.743 . . . . 62.45 110.319 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.31 139.51 58.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.261 -0.881 . . . . 72.53 111.019 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -80.32 -6.52 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.05 -0.523 . . . . 75.43 111.111 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -86.08 -26.01 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.444 -0.576 . . . . 74.44 109.444 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.574 ' HA ' ' HB3' ' A' ' 91' ' ' LYS . 90.9 m-20 -84.66 -32.33 23.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.618 -0.719 . . . . 64.3 109.881 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.436 HG11 ' HG2' ' A' ' 62' ' ' ARG . 38.5 t -120.19 99.9 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 71.44 109.728 174.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -76.74 -8.3 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 75.41 110.499 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.663 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 16.4 mmm180 -82.23 -177.07 6.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 63.22 111.016 -177.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.11 -76.54 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 61.42 111.186 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -64.36 -24.59 67.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.189 0.519 . . . . 55.34 110.642 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.663 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 11.5 mp0 -66.43 -19.66 65.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 53.15 110.972 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.436 ' HG2' HG11 ' A' ' 56' ' ' VAL . 54.8 mtp180 -73.81 -33.18 64.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.15 0.5 . . . . 74.11 109.715 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 13.6 m120 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 65.34 109.916 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -58.11 -45.18 87.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 74.24 110.42 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.39 -39.92 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 61.35 110.322 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 71.32 111.411 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 79.3 mtp180 -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.319 . . . . 75.23 110.846 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 HD23 ' A' ' 105' ' ' LEU . 2.5 tm? -67.7 -48.04 67.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 62.41 110.648 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 p -73.69 -36.47 65.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 71.33 112.329 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.58 -3.45 18.23 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.736 0.303 . . . . 72.41 111.285 -176.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.36 -64.13 1.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.945 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 p -60.58 -40.66 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.812 0.671 . . . . 61.15 112.812 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -72.44 -33.84 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 62.04 111.436 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.826 ' HD3' HD22 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -82.32 -26.62 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.973 -0.558 . . . . 74.41 111.911 -173.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.826 HD22 ' HD3' ' A' ' 74' ' ' ARG . 3.2 mm? -79.99 3.75 19.12 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.524 0.564 . . . . 53.22 112.524 -176.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 80.4 mmt-85 -131.17 24.75 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.138 -0.351 . . . . 71.14 110.682 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -70.96 -2.81 16.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 74.12 111.937 -172.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.02 -28.27 22.72 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.286 -0.259 . . . . 64.45 111.496 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.89 0.376 . . . . 72.41 110.688 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.65 124.82 88.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.664 . . . . 71.55 109.206 174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD3' ' HB1' ' A' ' 116' ' ' ALA . 51.3 Cg_exo -54.67 147.94 47.14 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.239 2.626 . . . . 72.31 113.131 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.03 72.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 44.54 110.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -134.86 141.22 46.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.485 -0.779 . . . . 62.45 109.541 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.02 129.93 34.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 63.21 110.605 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -139.36 153.81 47.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.651 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.594 HG12 ' HA3' ' A' ' 48' ' ' GLY . 31.4 m -115.58 144.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 63.34 110.894 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.95 110.89 30.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.442 -0.577 . . . . 75.43 109.442 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.07 115.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 75.44 111.086 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.56 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 41.3 110.03 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 31' ' ' PRO . 34.4 mmtp -92.85 175.99 6.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.502 . . . . 64.04 111.13 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 55' ' ' ASN . 20.4 pttt -73.0 105.38 4.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 65.32 111.124 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.08 -30.39 0.89 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.396 -0.82 . . . . 74.52 111.808 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.45 -25.85 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 111.845 0.313 . . . . 75.24 111.845 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HB2' HG13 ' A' ' 56' ' ' VAL . . . -75.96 -18.21 59.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.96 0.409 . . . . 64.24 111.77 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -112.93 22.07 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.761 0.791 . . . . 72.13 110.145 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.58 -0.736 . . . . 63.33 110.682 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 10.1 t70 -93.69 149.55 21.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 61.43 110.684 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -62.85 -37.29 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.141 0.422 . . . . 72.53 112.141 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -78.31 -30.72 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.4 -0.592 . . . . 71.12 109.4 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.23 71.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.632 -0.713 . . . . 52.42 110.461 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 98.5 mt -65.59 -32.57 74.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 55.21 110.279 176.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 t -71.77 -35.92 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 72.23 109.893 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.67 -37.44 79.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.889 -0.596 . . . . 72.4 110.424 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -81.83 -22.12 37.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 53.44 111.191 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HD11 ' A' ' 68' ' ' LEU . 3.1 tm? -56.29 -44.76 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 73.35 110.861 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.56 -21.23 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.524 -0.307 . . . . 62.23 111.563 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 28.9 mmmt -72.54 -59.98 2.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.677 0.275 . . . . 74.15 110.84 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.573 HD12 HD11 ' A' ' 35' ' ' ILE . 2.6 pt? -72.73 -28.41 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 74.04 110.669 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -69.17 -50.06 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.446 -0.343 . . . . 70.21 110.522 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.73 -32.12 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 73.23 110.738 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 21.8 tpp180 -61.76 -35.44 78.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 63.33 109.854 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -81.96 -17.49 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 74.4 110.625 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.99 -39.61 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.559 -0.534 . . . . 71.24 109.559 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -61.56 -55.71 27.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.538 -0.756 . . . . 72.41 109.888 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.83 63.05 4.26 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.844 0.831 . . . . 73.34 109.773 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.445 ' HB1' ' HD3' ' A' ' 81' ' ' PRO . . . -165.01 -35.72 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.466 -1.243 . . . . 40.21 109.239 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.49 ' NE ' ' HA ' ' A' ' 117' ' ' ARG . 4.7 mmp_? . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.604 -0.726 . . . . 74.53 110.402 175.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.733 0.302 . . . . 61.2 111.229 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 93.9 t80 -64.4 -42.98 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.687 177.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 p -86.71 -16.81 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.405 -0.362 . . . . 51.34 111.111 -178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -50.51 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 72.43 110.067 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.42 -9.15 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.876 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' HA ' ' HG3' ' A' ' 25' ' ' PRO . 17.6 t80 -84.86 -0.7 54.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.521 . . . . 73.0 110.42 -177.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -62.81 -38.88 92.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.223 0.535 . . . . 61.12 109.831 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -155.47 77.44 4.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.643 -0.873 . . . . 64.51 108.643 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.595 ' HG3' ' HA ' ' A' ' 22' ' ' PHE . 11.5 Cg_exo -68.73 118.4 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.833 2.355 . . . . 63.24 113.51 -169.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -85.63 121.71 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 71.43 109.48 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HG2' HG23 ' A' ' 34' ' ' THR . 6.0 tmm_? -94.99 100.63 12.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.492 . . . . 73.14 110.428 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 35' ' ' ILE . . . -119.45 99.23 6.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 72.05 109.799 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.7 -146.3 10.75 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.846 -0.692 . . . . 62.42 111.796 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.552 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 48.5 p -127.36 169.32 12.52 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 110.513 -0.18 . . . . 75.13 110.513 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 48.4 Cg_endo -71.44 0.68 6.48 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.095 1.864 . . . . 63.51 111.466 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -97.02 -41.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.552 -0.749 . . . . 74.34 109.558 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -144.22 119.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 74.44 109.645 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 27' ' ' ARG . 32.7 m -110.66 114.26 27.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.098 -0.501 . . . . 75.23 111.449 -172.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.428 HG13 HG13 ' A' ' 87' ' ' VAL . 4.0 mp -93.91 115.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 53.13 109.814 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 86' ' ' VAL . 98.0 mt -104.04 112.53 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.283 -0.417 . . . . 72.21 109.971 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.04 116.26 1.36 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.449 -0.882 . . . . 73.45 112.845 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -145.19 82.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.545 -0.539 . . . . 72.22 109.545 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 40' ' ' ASN . 9.5 tp -150.09 -165.54 2.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 74.23 109.272 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.591 ' H ' ' HG ' ' A' ' 39' ' ' LEU . 37.5 t-20 -108.35 136.23 48.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.744 -0.465 . . . . 63.32 109.744 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -76.81 78.98 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.274 0.559 . . . . 73.42 110.494 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.36 -19.13 43.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.696 . . . . 61.43 111.371 -176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.562 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 113.34 -5.03 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.647 -0.787 . . . . 61.41 111.181 -175.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -96.4 98.47 4.26 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.405 -0.591 . . . . 73.4 109.405 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 30.5 Cg_endo -93.14 103.26 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.921 2.414 . . . . 65.1 112.529 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -113.67 108.95 17.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.298 -0.41 . . . . 71.4 110.097 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.55 HD11 ' HB ' ' A' ' 69' ' ' THR . 3.4 tt -87.42 99.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.77 0.795 . . . . 61.31 110.473 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 71.56 2.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.774 -0.727 . . . . 25.2 112.616 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 69' ' ' THR . 58.7 tp -67.38 118.39 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.839 0.352 . . . . 63.1 110.661 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -114.43 110.09 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.997 0.427 . . . . 63.11 110.768 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.84 143.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 70.04 109.866 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.42 -178.29 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.745 -0.207 . . . . 74.45 110.69 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HG2' HH21 ' A' ' 62' ' ' ARG . 46.7 mtpt -90.1 -15.47 31.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 74.11 110.576 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -74.42 -23.69 58.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.467 -0.333 . . . . 72.42 111.156 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.2 p-10 -105.07 -48.85 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 74.14 110.297 176.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.91 87.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.279 0.562 . . . . 74.2 109.875 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -93.56 10.76 31.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.509 . . . . 62.04 110.93 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -101.57 104.21 15.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 73.31 109.584 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.59 72.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.947 -0.569 . . . . 51.52 111.657 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -68.2 -25.35 65.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.056 0.455 . . . . 71.13 110.75 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -93.72 9.74 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.223 -0.444 . . . . 61.4 111.172 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.631 HH21 ' HG2' ' A' ' 53' ' ' LYS . 14.7 mmt180 -63.76 -39.58 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.992 0.425 . . . . 71.4 110.656 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.49 -27.08 66.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.545 -0.752 . . . . 63.3 110.336 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -60.64 -52.01 66.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.775 -0.648 . . . . 73.54 110.988 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.3 mm -62.38 -39.62 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.516 -0.765 . . . . 51.51 110.865 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -57.52 -57.08 14.26 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.102 -0.239 . . . . 72.23 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 70' ' ' ARG . 49.3 mtp180 -67.69 -29.55 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 70.31 111.589 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -41.51 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.094 -0.706 . . . . 74.42 109.094 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.55 ' HB ' HD11 ' A' ' 47' ' ' ILE . 31.6 p -91.12 0.19 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 71.43 111.638 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.3 tpp180 -90.74 -67.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 72.2 110.203 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -15.66 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.77 -0.65 . . . . 72.23 112.154 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 p -84.59 -63.71 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.855 0.36 . . . . 71.04 110.949 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.622 ' HD2' HD22 ' A' ' 80' ' ' LEU . 77.5 m-85 -65.74 -34.01 77.21 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.301 0.852 . . . . 53.23 113.301 -172.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 4.7 ppt_? -92.44 -5.42 51.98 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.333 -0.547 . . . . 72.31 112.172 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 75' ' ' LEU . 52.0 mt -107.42 -45.49 4.07 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.844 -0.343 . . . . 73.43 110.77 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.715 ' HG3' ' HB2' ' A' ' 79' ' ' GLU . 3.3 tpm_? -95.32 54.22 1.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.666 0.745 . . . . 75.21 109.26 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -19.46 65.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.315 -0.857 . . . . 64.41 111.944 -174.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -81.77 3.34 26.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.664 0.269 . . . . 65.21 111.156 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.715 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -108.84 3.34 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.246 0.546 . . . . 63.32 109.57 174.067 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.622 HD22 ' HD2' ' A' ' 73' ' ' PHE . 54.9 tp -127.51 118.36 21.46 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.617 -0.72 . . . . 74.34 111.45 -174.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HD2' ' HE1' ' A' ' 112' ' ' HIS . 19.1 Cg_endo -62.68 110.57 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.249 1.966 . . . . 53.22 110.297 170.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 95.14 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.11 0.481 . . . . 44.31 111.765 -176.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.429 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 25.3 ptt? -150.84 176.69 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.218 -0.901 . . . . 75.41 109.486 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.14 117.46 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 71.43 109.004 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.5 160.99 38.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.666 0.269 . . . . 72.21 110.662 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -111.97 134.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.236 0.541 . . . . 73.52 111.122 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.428 HG13 HG13 ' A' ' 35' ' ' ILE . 46.8 t -109.59 107.33 22.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 53.12 109.624 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.8 110.63 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.918 0.39 . . . . 70.42 110.509 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 126.88 33.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.143 -0.481 . . . . 53.1 109.951 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.91 -170.48 2.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.208 -0.664 . . . . 72.31 109.208 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 27.0 ttpp -92.9 104.36 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.426 -0.583 . . . . 74.42 109.426 176.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.65 -37.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.46 -0.656 . . . . 73.52 111.46 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.8 8.11 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.628 0.728 . . . . 63.5 110.164 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.34 24.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 65.41 110.969 -177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.92 101.96 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.49 . . . . 65.12 110.543 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.4 mt -144.91 169.68 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.872 -0.603 . . . . 73.31 109.849 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.82 161.63 28.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.376 -0.375 . . . . 73.44 110.144 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -60.68 -41.78 95.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 71.5 111.124 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 13.0 ttm180 -79.18 -32.19 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.912 -0.315 . . . . 53.34 110.685 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.0 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.4 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.57 -17.15 61.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.389 . . . . 71.12 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 t -78.95 -45.05 21.22 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.209 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 10.8 pt-20 -73.68 -26.51 60.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.596 0.236 . . . . 73.23 110.702 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.45 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -57.56 -31.84 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 54.14 110.654 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.47 -37.79 77.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 72.21 111.09 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -73.08 -23.47 60.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.621 -0.432 . . . . 74.42 110.073 -178.541 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 22.4 mmmt -64.82 -44.41 89.94 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.215 -0.661 . . . . 64.4 109.215 175.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.56 -49.33 63.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.327 -0.851 . . . . 65.3 110.36 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.447 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 32.6 t90 -59.25 -56.16 25.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 73.31 111.96 -176.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -61.29 -32.58 72.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.641 -0.254 . . . . 72.01 111.555 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 25.4 tpt180 -83.03 -39.97 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.801 -0.36 . . . . 71.43 110.548 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.511 ' HE1' ' HD2' ' A' ' 81' ' ' PRO . 21.2 t-80 -66.64 -35.93 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.184 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.18 -51.7 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 64.35 110.741 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -60.76 -52.27 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.566 . . . . 60.34 111.131 -178.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.06 -33.63 74.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 74.22 111.969 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.8 64.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 72.33 111.475 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.517 -0.31 . . . . 75.21 110.659 -179.088 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 111.958 0.355 . . . . 75.32 111.958 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -79.65 3.93 17.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.354 0.501 . . . . 74.34 112.354 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.4 m -143.57 -30.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.372 -0.531 . . . . 61.04 112.378 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.12 -46.66 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 75.14 111.049 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 21' ' ' VAL . 10.3 p -96.49 7.06 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.481 0.657 . . . . 54.41 110.602 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -85.5 16.11 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.094 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -70.32 -71.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.178 -0.675 . . . . 74.55 109.178 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -146.28 74.78 12.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.073 -0.967 . . . . 75.12 108.794 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 58.0 Cg_endo -70.83 139.61 36.88 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.36 2.04 . . . . 64.3 112.042 -175.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.43 107.27 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.825 -0.435 . . . . 63.05 109.825 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -71.13 99.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.192 -0.67 . . . . 75.4 109.192 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.06 -176.24 2.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.276 -0.42 . . . . 43.13 110.529 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.775 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 89.64 -130.36 10.17 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.848 -0.691 . . . . 63.45 112.044 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 40.3 p -133.42 170.49 11.22 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 110.303 -0.258 . . . . 64.44 110.303 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 30.5 Cg_exo -62.86 -26.51 74.62 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.476 2.117 . . . . 73.41 112.395 174.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.0 -55.56 4.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.447 . . . . 74.04 110.616 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.0 tt -121.15 115.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.558 0.694 . . . . 73.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -105.32 128.53 53.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.599 -0.728 . . . . 75.31 111.872 -172.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.3 mp -103.83 126.95 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.356 -0.609 . . . . 75.55 109.356 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.681 ' HB2' HG13 ' A' ' 86' ' ' VAL . 91.2 mt -107.47 124.05 49.31 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.919 -0.4 . . . . 75.11 109.919 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.5 6.45 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.989 -1.1 . . . . 71.34 113.773 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.547 ' H ' HD12 ' A' ' 39' ' ' LEU . 21.1 ttm-85 -179.64 73.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.719 0.807 . . . . 64.33 109.323 170.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 5.5 mp -138.45 159.74 41.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.117 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -160.43 165.54 30.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.514 -0.55 . . . . 74.3 109.514 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 65.41 15.75 10.18 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.607 0.567 . . . . 63.42 111.399 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -89.54 -66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.009 -0.367 . . . . 72.31 110.009 -177.321 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 82' ' ' ALA . . . 91.86 -12.82 68.46 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.703 -0.76 . . . . 74.41 113.266 177.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.409 ' H ' HD12 ' A' ' 42' ' ' LEU . 40.3 m80 -127.93 98.36 27.64 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.962 0.381 . . . . 64.14 110.932 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 84' ' ' ASP . 5.9 Cg_exo -79.18 137.99 13.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.109 2.54 . . . . 73.12 112.158 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -118.55 -171.97 2.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.715 -0.476 . . . . 74.34 109.715 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.5 tt -124.58 86.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.927 0.87 . . . . 75.44 110.039 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 62.62 4.3 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.659 -0.781 . . . . 74.35 112.565 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.794 HD23 ' HD2' ' A' ' 66' ' ' LYS . 49.8 tp -71.76 109.79 5.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.236 0.541 . . . . 64.04 110.395 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -100.21 103.32 14.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.556 -0.747 . . . . 74.02 110.385 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.89 115.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.841 -0.618 . . . . 52.3 110.28 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.4 178.24 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 45.4 111.278 -176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.53 1.7 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.838 -0.619 . . . . 64.5 111.425 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.92 1.96 15.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.286 0.565 . . . . 73.3 110.174 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -109.93 -28.05 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.768 -0.827 . . . . 65.14 108.768 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 94' ' ' ALA . 8.0 p -128.38 153.48 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.507 -1.224 . . . . 63.13 108.78 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -99.17 -49.12 4.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.666 -0.414 . . . . 73.02 111.437 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.681 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 76.4 mtt180 -99.48 148.54 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.879 0.371 . . . . 74.31 111.031 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.83 85.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 72.03 110.398 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -61.11 -41.17 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 73.32 111.226 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.681 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 61.7 mt-10 -65.72 -36.82 84.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 75.25 110.209 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HB2' HG11 ' A' ' 56' ' ' VAL . 35.6 ttt180 -64.34 -50.27 68.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 72.03 110.592 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.6 -28.32 68.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.934 -0.576 . . . . 74.45 110.556 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 26.8 tpt180 -58.07 -46.69 85.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.621 -0.718 . . . . 65.53 110.268 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.0 mm -73.56 -34.16 41.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.978 -0.555 . . . . 73.44 110.553 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.794 ' HD2' HD23 ' A' ' 49' ' ' LEU . 23.5 mmmt -56.23 -51.58 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.662 -0.699 . . . . 75.13 112.076 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -80.33 -27.75 38.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.008 -0.277 . . . . 73.01 111.326 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.78 -52.38 64.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 61.13 110.005 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -67.28 -44.45 79.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 73.25 111.438 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 47' ' ' ILE . 21.9 ttt180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.6 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.3 -45.06 81.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 72.14 111.182 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.2 p -63.71 -33.24 75.2 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.313 -0.403 . . . . 71.03 111.836 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.9 -26.62 68.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 72.53 111.59 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -87.5 -9.43 54.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 74.43 111.088 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -107.99 -47.86 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 70.45 111.476 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 56.0 mtt85 -105.94 50.37 0.78 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.231 0.539 . . . . 72.05 110.813 -172.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -14.49 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.824 . . . . 75.32 111.945 -175.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -79.03 -18.67 53.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.96 -0.296 . . . . 73.1 111.324 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' HG3' ' CH2' ' A' ' 109' ' ' TRP . 19.5 mm-40 -97.0 24.4 6.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.404 . . . . 74.31 111.434 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' ' NE2' ' A' ' 112' ' ' HIS . 4.1 pp -137.97 149.92 65.69 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.466 -0.334 . . . . 71.25 110.851 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.545 ' HG2' ' HG2' ' A' ' 83' ' ' MET . 74.4 Cg_endo -76.97 164.94 29.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.655 2.237 . . . . 74.21 111.567 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 43' ' ' GLY . . . -77.51 61.78 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.373 0.606 . . . . 75.24 111.514 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.58 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 24.6 ptt? -132.72 167.33 20.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.744 -0.662 . . . . 63.4 109.369 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.529 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 45.5 t0 -85.83 157.72 20.14 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 123.144 0.278 . . . . 73.54 110.394 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -132.75 118.93 19.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.076 0.465 . . . . 74.42 111.614 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -103.25 124.43 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 64.13 109.581 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -117.73 113.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.124 -0.489 . . . . 71.45 110.32 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 123.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.857 0.361 . . . . 72.3 110.643 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.13 137.56 32.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.102 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.606 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.0 mmpt? -91.68 171.38 9.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.779 0.323 . . . . 65.01 110.797 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -67.4 118.77 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.99 -0.55 . . . . 75.54 110.15 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.82 -0.36 21.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.434 -0.889 . . . . 51.33 112.474 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.11 -18.88 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.303 0.573 . . . . 64.14 110.921 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.695 ' HB2' HG23 ' A' ' 56' ' ' VAL . . . -72.64 -22.56 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 53.42 111.574 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.74 72.97 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.196 0.522 . . . . 55.24 110.617 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -139.99 122.27 15.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 73.04 110.566 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 28.5 t70 -74.32 152.19 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.901 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -54.12 -36.46 63.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.092 -0.504 . . . . 73.31 111.811 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.3 -44.31 53.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 72.13 110.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.7 -16.45 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 62.14 111.778 -176.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 70.6 mt -55.97 -47.95 76.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.669 0.271 . . . . 75.34 111.026 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.9 t -72.36 -27.28 62.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.409 . . . . 63.13 110.567 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -70.82 -46.3 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 75.12 110.012 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.31 62.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 61.43 111.155 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 105' ' ' LEU . 2.5 tm? -63.19 -37.35 86.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 73.52 110.898 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.506 ' OE2' ' HD2' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -67.75 -20.37 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.876 -0.329 . . . . 71.24 110.684 -176.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.506 ' HD2' ' OE2' ' A' ' 106' ' ' GLU . 22.5 mmmt -65.96 -39.66 90.6 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.231 -0.655 . . . . 60.45 109.231 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.57 -40.6 80.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.444 -0.798 . . . . 74.34 110.126 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.499 ' CH2' ' HG3' ' A' ' 79' ' ' GLU . 47.2 t-105 -57.41 -52.1 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.11 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -62.74 -39.64 94.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 73.34 111.38 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.775 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 24.7 tpp180 -66.55 -46.08 77.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.094 0.473 . . . . 73.5 110.184 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . 0.541 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t-80 -63.84 -42.13 97.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.21 -0.904 . . . . 71.13 111.524 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.13 -33.9 77.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 64.35 111.436 -175.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -92.92 -14.35 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.783 0.29 . . . . 54.11 111.783 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.8 -42.9 97.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.982 0.42 . . . . 75.11 110.943 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.42 7.66 9.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 51.34 111.388 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.775 179.456 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.507 -0.553 . . . . 75.1 109.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' HD1' HG21 ' A' ' 86' ' ' VAL . 85.5 t80 -60.14 -52.68 64.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 75.02 110.891 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -74.3 -16.48 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.197 0.522 . . . . 63.22 110.844 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -82.72 -42.31 18.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.275 -0.421 . . . . 71.24 110.432 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.37 -18.85 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.987 0.422 . . . . 72.12 110.34 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.28 -12.99 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.607 . . . . 73.43 111.127 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.74 -36.04 82.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.184 0.516 . . . . 73.23 110.109 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -153.88 81.47 4.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.063 -0.717 . . . . 73.12 109.063 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -85.94 122.54 2.25 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.652 2.235 . . . . 73.14 112.581 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -99.44 114.28 27.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.534 -0.543 . . . . 71.23 109.534 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -88.07 109.6 19.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.639 . . . . 71.13 109.865 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.96 13.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 61.43 110.335 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.18 -159.9 27.96 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.681 -0.771 . . . . 63.45 112.275 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.504 HG22 ' HD2' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -74.25 145.32 82.83 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.451 0.3 . . . . 63.02 110.357 -179.143 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.504 ' HD2' HG22 ' A' ' 30' ' ' THR . 28.4 Cg_exo -62.89 -45.44 13.16 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.62 2.213 . . . . 74.35 112.692 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.629 HE21 HD11 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -59.46 -47.01 87.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.979 0.419 . . . . 73.23 111.154 -178.378 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 tt -108.73 94.83 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 63.45 109.287 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -85.79 109.49 18.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.717 -0.674 . . . . 73.52 111.825 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.77 106.14 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 74.14 109.827 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.96 111.78 23.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 74.14 109.525 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.66 164.79 20.96 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.274 -0.965 . . . . 62.14 112.553 -177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -151.67 139.6 20.0 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.712 -0.477 . . . . 73.34 109.712 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.3 tp -83.48 88.24 7.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.289 -0.634 . . . . 70.03 109.289 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -102.72 170.12 8.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 64.04 110.237 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -74.37 -13.27 60.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 74.32 110.315 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.79 -59.83 2.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 75.03 110.044 173.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.558 ' HA3' ' HB1' ' A' ' 82' ' ' ALA . . . 58.17 54.1 40.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.133 -0.555 . . . . 64.11 112.059 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.439 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 82.4 t60 -95.33 101.97 8.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.239 . . . . 75.0 110.382 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.6 Cg_exo -72.67 89.54 0.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.847 2.365 . . . . 74.44 112.032 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.497 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -153.48 142.45 21.23 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.103 -0.703 . . . . 72.23 109.103 177.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.487 HD11 ' HB ' ' A' ' 69' ' ' THR . 13.7 tt -87.25 136.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.067 0.46 . . . . 54.34 110.863 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.84 99.39 0.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.941 -0.647 . . . . 64.32 111.504 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 69' ' ' THR . 59.9 tp -87.53 109.51 19.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.181 0.515 . . . . 73.31 111.245 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -103.24 87.17 2.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.11 -0.7 . . . . 75.33 109.11 174.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 p -94.62 120.17 43.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.591 -0.731 . . . . 53.43 110.924 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.74 116.84 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.943 -0.571 . . . . 43.15 109.701 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -65.66 -12.75 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 63.21 111.829 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -11.38 49.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.771 0.319 . . . . 75.35 110.757 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -93.72 -9.88 36.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 62.32 110.981 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 62' ' ' ARG . 44.2 t -100.69 151.69 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.943 -0.571 . . . . 70.53 110.012 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HG2' ' HG2' ' A' ' 58' ' ' ARG . 62.4 ttt-85 -56.83 -64.57 0.83 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.484 0.49 . . . . 63.21 111.94 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HG2' ' HG2' ' A' ' 57' ' ' ARG . 28.0 mmt180 -137.88 -69.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.076 0.398 . . . . 72.43 112.076 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.01 -50.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.505 -0.316 . . . . 71.13 111.332 -171.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.26 -30.98 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.449 0.642 . . . . 72.12 109.951 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . 20.4 mp0 -76.64 -24.97 53.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.009 -0.996 . . . . 73.31 110.38 -176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.578 ' HB2' HG11 ' A' ' 56' ' ' VAL . 38.3 ttp180 -76.07 -35.82 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.556 . . . . 72.01 110.501 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.35 -30.9 69.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 72.34 110.085 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.8 -37.11 80.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 72.0 110.111 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.36 -40.44 82.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.928 -0.578 . . . . 74.01 110.462 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.42 -27.41 68.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 74.41 110.71 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -74.3 -52.95 10.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 72.21 110.612 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.99 -50.77 65.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.002 -0.544 . . . . 70.14 110.731 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.547 HG21 HD13 ' A' ' 49' ' ' LEU . 13.6 p -62.67 -54.87 32.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 62.02 112.035 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -78.61 9.97 3.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.747 0.647 . . . . 74.23 112.747 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -111.25 -45.53 3.41 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.872 -0.418 . . . . 62.54 109.872 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 p -68.91 -48.25 63.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 74.54 110.9 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.35 15.78 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 72.15 111.129 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -111.25 -32.04 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.085 0.469 . . . . 65.02 109.882 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.06 -30.15 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 62.22 109.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 4.4 mmp_? -110.31 142.46 41.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.875 -0.787 . . . . 64.23 108.875 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 177.98 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 72.42 111.191 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.3 -36.75 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.696 . . . . 72.43 110.642 -173.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -72.07 -23.96 61.43 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.512 -177.451 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.8 pp -91.27 146.98 34.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.739 0.304 . . . . 75.55 110.535 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 3.3 Cg_exo -81.76 -164.63 0.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.088 2.525 . . . . 73.0 111.782 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.558 ' HB1' ' HA3' ' A' ' 43' ' ' GLY . . . -63.92 111.12 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.834 0.349 . . . . 75.53 110.93 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.9 ttm -148.79 111.81 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.269 -0.423 . . . . 64.33 110.502 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HB3' ' H ' ' A' ' 44' ' ' HIS . 4.9 p-10 -95.56 138.2 33.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.623 -0.51 . . . . 72.21 109.623 173.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.8 169.12 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.3 111.064 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.568 HG21 ' HD1' ' A' ' 18' ' ' PHE . 9.1 p -132.26 141.23 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.688 -0.687 . . . . 74.33 109.758 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.59 121.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.274 -0.269 . . . . 72.13 110.274 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.88 131.73 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 71.44 110.412 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.4 125.31 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 71.51 111.213 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.07 179.58 6.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.901 -0.591 . . . . 64.31 110.216 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -84.16 128.33 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.89 0.376 . . . . 71.34 110.659 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.88 -11.72 24.97 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.912 -0.661 . . . . 42.51 112.029 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -22.7 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 53.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -87.95 15.06 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.883 -0.599 . . . . 60.25 111.734 -176.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.35 -8.89 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.459 . . . . 73.14 110.821 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.629 HD11 HE21 ' A' ' 32' ' ' GLN . 90.9 mt -77.42 133.34 38.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.16 -0.473 . . . . 75.0 110.621 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.45 -179.66 6.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.167 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' HG ' ' A' ' 101' ' ' LEU . 3.8 m-20 -61.57 -36.31 80.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.585 -0.279 . . . . 74.3 111.471 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.602 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 4.4 tpm_? -62.44 -50.81 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.699 -0.482 . . . . 73.55 109.699 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.53 -49.65 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 72.43 111.653 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 98' ' ' ASN . 4.6 pp -70.04 -25.17 63.44 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.822 -0.351 . . . . 65.51 111.228 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t -72.71 -36.29 67.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.046 0.451 . . . . 74.23 109.948 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 13.7 mm-40 -74.02 -41.0 62.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 176.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -63.25 -23.99 67.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.712 -0.676 . . . . 42.43 111.199 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.18 -45.18 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 62.41 110.524 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -20.84 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 75.01 110.349 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.776 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.7 mmmt -66.58 -54.28 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.697 -0.483 . . . . 73.1 109.697 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 109' ' ' TRP . 4.0 pp -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 62.53 111.349 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TRP . . . . . 0.409 ' N ' HD12 ' A' ' 108' ' ' LEU . 37.0 t-105 -65.78 -58.68 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 72.14 110.886 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.13 -23.59 65.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 45.21 110.657 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 4.7 tpp180 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.345 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.76 -21.43 28.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.2 t -58.13 -46.79 85.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 75.04 110.414 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -87.68 5.55 39.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.074 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.21 -45.49 4.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.949 0.404 . . . . 72.34 110.158 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.55 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 74.25 110.794 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 121.177 0.513 . . . . 54.24 109.825 177.299 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 110.039 -0.356 . . . . 63.32 110.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.07 -52.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.125 0.488 . . . . 74.45 110.22 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -84.86 124.2 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.781 -0.645 . . . . 75.31 109.934 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.542 ' HG ' ' HG ' ' A' ' 39' ' ' LEU . 4.3 mm? -73.5 -18.86 61.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.314 -176.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.98 95.67 7.47 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.424 -0.353 . . . . 71.44 110.202 177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -89.44 150.81 45.28 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.876 -0.602 . . . . 71.41 110.519 178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -70.68 8.26 1.03 Allowed 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.105 2.536 . . . . 71.3 112.938 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -78.0 2.97 15.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.448 -0.342 . . . . 71.3 111.316 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.735 ' HG3' HD12 ' A' ' 10' ' ' LEU . 8.5 pt-20 -70.79 -16.28 62.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 71.23 109.943 174.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.735 HD12 ' HG3' ' A' ' 9' ' ' GLU . 7.6 mp -86.33 2.22 48.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.614 -0.721 . . . . 72.44 110.132 174.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -113.59 147.32 38.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 71.04 109.729 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.3 mt -66.23 103.06 0.92 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.997 0.427 . . . . 61.23 110.884 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.766 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.5 pt? -87.9 157.73 18.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.961 -0.563 . . . . 74.42 110.071 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 5.9 p -90.54 144.26 30.4 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.561 -0.29 . . . . 73.44 111.065 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 4.1 Cg_exo -78.12 6.75 4.44 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.175 2.583 . . . . 61.2 112.319 177.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.4 m -78.99 96.21 5.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.177 -0.465 . . . . 71.24 109.89 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -62.59 -35.12 78.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.2 111.104 -177.189 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.26 -40.33 97.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.162 0.506 . . . . 73.14 110.278 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 23.9 m -72.55 -44.68 61.78 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.942 -0.572 . . . . 62.42 110.06 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -58.58 -44.28 89.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.407 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.89 ' HA ' ' HD2' ' A' ' 38' ' ' ARG . 9.4 p -69.73 -37.75 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.573 0.225 . . . . 72.13 110.917 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -72.92 -21.19 60.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.551 -0.295 . . . . 71.51 111.351 -175.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.619 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.6 mm100 -70.32 -48.36 56.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.603 0.24 . . . . 73.23 110.74 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -139.54 79.66 24.02 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-O 121.191 0.519 . . . . 63.1 110.977 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.545 ' HB2' HD12 ' A' ' 36' ' ' LEU . 95.6 Cg_endo -98.84 128.2 0.19 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 123.141 2.561 . . . . 75.13 112.61 176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -77.32 106.86 9.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.497 -0.557 . . . . 73.33 109.497 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -77.51 115.15 17.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.773 -0.649 . . . . 75.1 110.674 -174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' HB3' ' ND1' ' A' ' 112' ' ' HIS . . . -148.04 101.11 3.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.776 -0.647 . . . . 65.35 110.147 175.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 170.62 177.79 40.9 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.894 -0.594 . . . . 65.22 111.824 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.428 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -65.63 140.58 97.52 Favored Pre-proline 0 C--N 1.324 -0.513 0 C-N-CA 122.334 0.254 . . . . 74.42 110.342 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 10.7 Cg_endo -53.87 -22.99 25.69 Favored 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 123.343 2.695 . . . . 65.42 113.799 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -97.19 -4.27 39.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.874 0.369 . . . . 73.33 111.649 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.5 tt -152.39 100.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.601 0.715 . . . . 74.42 109.425 176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.5 m -90.66 107.05 18.92 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.748 -0.66 . . . . 74.33 111.943 -169.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.2 mp -87.38 105.72 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.346 -0.612 . . . . 64.11 109.346 173.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -85.32 158.65 20.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 63.23 110.414 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.5 117.01 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.727 -0.749 . . . . 44.34 111.979 178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.89 ' HD2' ' HA ' ' A' ' 21' ' ' VAL . 3.8 tpm_? -100.15 112.63 24.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.229 -0.285 . . . . 74.55 110.229 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HG ' ' HG ' ' A' ' 4' ' ' LEU . 3.2 mm? -69.37 94.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.058 0.456 . . . . 74.04 109.833 177.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -152.14 104.38 2.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.559 -0.746 . . . . 73.11 110.121 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.0 t -82.12 83.81 7.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.493 0.663 . . . . 63.13 109.608 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -94.13 -36.27 12.15 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.443 -0.798 . . . . 74.13 109.343 179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.11 -2.18 54.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.832 -0.699 . . . . 75.21 111.441 -175.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -119.35 95.55 49.35 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 109.66 -0.496 . . . . 71.12 109.66 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.501 ' HG3' ' HA ' ' A' ' 82' ' ' ALA . 1.1 Cg_endo -82.17 117.44 2.84 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.984 2.456 . . . . 52.11 111.563 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' HE ' ' HB2' ' A' ' 46' ' ' ARG . 4.6 ptm180 -127.32 152.25 47.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.451 -0.34 . . . . 74.12 110.499 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.2 tt -110.04 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.426 0.631 . . . . 71.41 109.688 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -107.08 70.46 0.21 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.399 -0.905 . . . . 61.52 112.414 -176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' A' ' 66' ' ' LYS . 60.6 tp -69.53 114.17 7.51 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.134 0.492 . . . . 54.12 110.759 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.4 m -108.78 129.87 55.38 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.508 -0.769 . . . . 73.34 109.774 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.4 138.9 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.992 0.425 . . . . 32.51 110.57 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.89 157.77 15.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.175 -0.466 . . . . 73.22 110.53 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.51 -16.26 63.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.294 0.569 . . . . 74.14 110.742 -178.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.509 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 19.7 ptmt -83.89 -21.76 31.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.916 -0.583 . . . . 63.12 110.469 176.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.509 ' OD1' ' HG3' ' A' ' 54' ' ' LYS . 4.1 m-20 -84.11 -51.33 7.16 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.009 -0.542 . . . . 64.55 110.039 -177.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.4 t -111.97 99.53 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.858 -0.794 . . . . 65.33 108.858 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 26.3 tpt180 -82.36 -20.63 36.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.94 -0.573 . . . . 71.32 111.583 -172.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 58' ' ' ARG . 13.8 tpt180 -86.99 112.25 21.64 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.743 -0.466 . . . . 73.31 109.743 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.59 65.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.691 -0.686 . . . . 50.23 112.792 -173.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.22 -33.47 73.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.852 0.358 . . . . 72.31 111.27 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.529 ' O ' HG12 ' A' ' 65' ' ' ILE . 24.4 mm-40 -76.91 -11.82 59.87 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.499 -0.318 . . . . 71.34 110.858 -177.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -61.73 -43.8 98.14 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.067 -0.716 . . . . 71.25 109.067 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.56 -31.88 71.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.119 -0.946 . . . . 65.12 109.634 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 14.9 tpp180 -62.12 -44.55 96.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.472 -0.785 . . . . 73.14 110.373 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 61' ' ' GLU . 50.1 mm -65.05 -45.33 94.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.809 -0.632 . . . . 73.22 111.081 -178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.637 ' HG2' HD23 ' A' ' 49' ' ' LEU . 36.8 mtmt -69.2 -29.96 68.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.714 0.292 . . . . 61.44 110.756 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 10.8 mtt-85 -60.25 -59.53 5.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.02 0.438 . . . . 52.33 110.17 171.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -49.72 67.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.084 -0.962 . . . . 72.25 110.92 -174.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.422 ' OG1' HD22 ' A' ' 49' ' ' LEU . 17.0 p -68.14 -57.68 5.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.163 -0.472 . . . . 74.04 111.96 -176.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -62.94 -37.7 88.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.555 -0.293 . . . . 64.35 111.689 -174.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.628 ' O ' ' HG2' ' A' ' 74' ' ' ARG . 1.2 tt0 -70.61 -26.13 63.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.978 0.418 . . . . 73.03 110.66 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 62.1 m -75.57 -42.69 51.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.817 0.341 . . . . 54.21 110.372 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -67.75 -17.63 64.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.412 -0.358 . . . . 72.42 111.77 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 71' ' ' GLU . 7.2 ptm180 -89.76 -13.48 36.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 61.34 110.828 179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 99.7 mt -110.17 -23.12 11.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.94 0.4 . . . . 72.13 111.189 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.03 40.76 1.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.272 0.558 . . . . 73.14 109.978 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -69.19 -17.04 63.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.278 -0.874 . . . . 72.2 111.462 -174.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -77.19 -38.45 51.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.285 0.564 . . . . 70.43 110.584 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -82.28 -36.8 26.69 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.407 -0.815 . . . . 72.12 111.704 -171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.0 pp -84.27 140.66 39.34 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.88 0.372 . . . . 60.43 111.559 -176.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 1.7 Cg_endo -85.76 174.51 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 123.5 2.8 . . . . 74.23 112.02 175.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' HA ' ' HG3' ' A' ' 45' ' ' PRO . . . -86.69 71.25 10.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.229 0.538 . . . . 74.04 111.05 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.475 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 66.5 mtt -127.89 -176.27 3.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.666 -0.697 . . . . 70.42 110.513 -177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -96.14 120.92 37.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.964 -0.562 . . . . 75.14 109.737 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -122.94 88.94 3.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.357 0.599 . . . . 73.21 111.233 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.438 ' CG2' HG11 ' A' ' 21' ' ' VAL . 78.2 t -86.71 104.57 14.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.759 -0.655 . . . . 74.42 109.555 172.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 61.7 t -91.99 130.81 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.799 -0.637 . . . . 61.22 109.984 -179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.9 t -112.57 107.15 22.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.054 0.454 . . . . 44.3 110.49 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -72.43 123.86 23.97 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.605 . . . . 74.3 109.769 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.571 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 10.8 mmpt? -85.64 172.51 10.83 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.978 0.418 . . . . 74.32 110.421 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.72 105.89 6.01 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.829 -0.804 . . . . 75.3 108.829 176.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 144.18 -20.61 2.1 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.587 -0.816 . . . . 72.05 112.556 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 89' ' ' ALA . 13.5 p -65.05 -27.63 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-O 121.27 0.557 . . . . 74.24 110.915 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.46 14.35 13.26 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.253 -0.43 . . . . 54.41 111.054 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.09 -9.21 31.34 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.526 0.679 . . . . 74.55 109.617 179.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.5 mt -82.12 171.95 13.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.327 -0.851 . . . . 63.22 111.686 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.453 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 15.9 t70 -89.71 158.61 17.47 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 74.33 109.293 175.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -56.54 -34.65 67.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.249 0.547 . . . . 74.03 110.477 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 18.4 ttp180 -68.43 -45.0 73.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.736 -0.665 . . . . 71.12 110.154 175.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.25 -21.1 65.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.589 -0.732 . . . . 54.31 111.832 -175.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.2 mt -61.41 -45.37 94.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.03 0.443 . . . . 50.44 110.145 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.6 m -72.84 -31.06 64.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 62.14 110.324 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 11.3 mm-40 -66.54 -29.83 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 73.11 111.16 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.4 -13.27 38.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 73.33 111.071 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 61.6 tp -63.13 -51.76 65.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.02 -0.537 . . . . 75.11 110.932 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.535 ' OE1' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -65.29 -25.29 67.57 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.497 -0.32 . . . . 73.53 110.706 -178.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.535 ' HD2' ' OE1' ' A' ' 106' ' ' GLU . 28.6 mmmt -66.17 -52.54 47.27 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.319 -0.4 . . . . 74.43 110.189 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.406 ' HB2' HD13 ' A' ' 35' ' ' ILE . 4.3 pp -73.76 -31.61 63.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.007 -0.542 . . . . 64.32 110.898 -178.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -60.82 -58.51 8.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 73.4 110.474 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.38 -37.39 85.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.246 -0.434 . . . . 54.32 110.815 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.2 tpp180 -55.1 -53.67 52.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.08 -0.509 . . . . 74.54 111.202 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.445 ' ND1' ' HB3' ' A' ' 28' ' ' ALA . 2.2 t60 -80.45 -27.25 37.98 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.629 -0.428 . . . . 72.33 110.668 -176.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.526 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 49.6 t -63.27 -42.34 99.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.798 0.332 . . . . 64.32 110.349 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -61.04 -34.74 75.34 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.413 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 30.8 tp -81.27 -31.37 33.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.033 -0.53 . . . . 73.21 110.887 -178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.42 -23.98 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.994 0.426 . . . . 73.45 111.034 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 25.4 mmm180 -82.64 -23.35 34.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 44.3 110.134 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -92.82 -121.76 3.06 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.772 -0.649 . . . . 71.25 111.505 177.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.632 -0.699 . . . . 62.44 109.818 178.938 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.92 0.39 . . . . 53.44 110.191 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.662 HG11 HD22 ' A' ' 10' ' ' LEU . 24.9 t -81.19 86.22 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.189 0.519 . . . . 74.31 109.806 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HB2' ' HE2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -122.49 -4.28 8.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.8 -0.636 . . . . 73.52 111.478 -177.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.27 -60.75 2.1 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.661 -1.237 . . . . 73.34 107.661 175.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.37 146.63 25.81 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 108.107 -1.071 . . . . 75.42 108.107 169.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 82.5 m-85 -93.14 158.97 36.42 Favored Pre-proline 0 C--N 1.318 -0.799 0 C-N-CA 120.827 -0.349 . . . . 74.53 110.685 -174.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.29 -32.15 32.12 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.475 2.784 . . . . 74.3 113.951 -176.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -74.52 -35.47 63.17 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.887 -0.325 . . . . 74.52 111.374 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.585 ' OE1' ' HB2' ' A' ' 6' ' ' PHE . 24.1 mp0 -74.14 -35.46 64.09 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.118 0.485 . . . . 63.22 110.157 175.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.662 HD22 HG11 ' A' ' 2' ' ' VAL . 42.8 tp -70.58 -17.97 62.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.633 . . . . 73.13 111.071 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -102.0 8.19 41.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.981 0.42 . . . . 74.41 110.831 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.0 174.62 10.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 62.14 111.107 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.737 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.5 pt? -77.83 148.84 34.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.788 -0.642 . . . . 70.41 110.465 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.9 p 48.2 72.07 1.39 Allowed Pre-proline 0 C--N 1.33 -0.266 0 C-N-CA 123.53 0.732 . . . . 52.11 111.939 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -74.27 74.79 3.52 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 123.059 2.506 . . . . 71.15 111.929 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.1 t -118.92 147.0 44.49 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.595 -0.73 . . . . 70.35 109.973 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.409 HE21 ' CG ' ' A' ' 84' ' ' ASP . 0.4 OUTLIER -64.64 -28.1 69.38 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.827 -0.435 . . . . 64.53 109.827 178.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -73.99 -20.19 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.939 -0.573 . . . . 72.11 110.735 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.9 m -85.01 -39.59 17.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.32 0.581 . . . . 72.22 109.661 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.11 -35.63 76.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.453 -0.794 . . . . 71.24 110.899 -178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.793 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 7.3 p -70.97 -18.54 20.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 73.12 111.37 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -75.19 -23.49 57.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.379 -0.373 . . . . 65.22 111.27 -175.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -60.45 -68.41 0.3 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.014 0.435 . . . . 64.22 110.927 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.622 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 53.3 tt0 -151.34 88.07 4.44 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.947 -0.569 . . . . 55.31 109.498 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.518 ' HB3' HG22 ' A' ' 21' ' ' VAL . 92.9 Cg_endo -83.54 148.58 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.808 2.339 . . . . 73.44 113.319 -176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -74.54 110.11 8.56 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.855 -0.794 . . . . 64.45 108.855 173.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 27' ' ' ARG . 21.7 ttm180 -74.2 101.03 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 123.417 0.448 . . . . 73.4 110.463 -176.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -107.95 147.12 31.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.335 -0.393 . . . . 74.31 110.353 177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.455 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 97.14 -131.36 10.58 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.505 -0.855 . . . . 4.42 112.607 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.578 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -133.9 168.89 15.59 Favored Pre-proline 0 C--N 1.325 -0.482 0 N-CA-C 110.058 -0.349 . . . . 61.21 110.058 -176.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.578 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 43.3 Cg_endo -69.98 0.13 6.26 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.298 1.999 . . . . 74.01 112.548 174.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -100.41 -49.59 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.472 0.654 . . . . 42.42 109.461 176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -120.54 99.37 7.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.644 0.735 . . . . 73.22 109.088 172.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.2 m -101.8 112.66 25.34 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.354 -0.839 . . . . 74.12 111.459 -172.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.597 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 4.6 mp -92.58 115.09 30.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.207 -0.664 . . . . 63.45 109.207 176.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.692 ' HB2' HG13 ' A' ' 86' ' ' VAL . 83.8 mt -96.32 119.63 35.15 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.372 . . . . 73.44 110.228 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.81 136.71 13.19 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.272 -0.965 . . . . 73.34 112.969 -178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.793 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.6 mmm180 -143.97 112.74 6.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.238 -0.282 . . . . 74.33 110.238 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.6 tp -67.29 125.92 27.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.093 -0.503 . . . . 64.54 110.409 179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -126.17 146.74 49.83 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.399 -0.593 . . . . 72.54 109.399 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.63 32.18 0.11 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.627 0.602 . . . . 73.43 112.627 -173.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.5 mt -107.01 -20.22 13.38 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.057 -0.349 . . . . 64.02 110.057 174.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.4 25.44 Favored Glycine 0 C--N 1.333 0.391 0 N-CA-C 111.31 -0.716 . . . . 72.41 111.31 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HD2' ' OD2' ' A' ' 84' ' ' ASP . 30.6 t60 -106.66 104.05 49.38 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-O 120.623 0.249 . . . . 71.43 110.509 -171.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -88.72 95.82 0.37 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.483 2.122 . . . . 72.53 112.841 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HB2' ' OD2' ' A' ' 84' ' ' ASP . 21.3 mmt180 -141.96 167.61 21.72 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.966 -0.561 . . . . 74.52 110.456 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.2 tt -122.02 137.43 55.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.543 -0.54 . . . . 75.43 109.543 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.6 77.85 0.36 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.549 -0.834 . . . . 64.32 112.201 -178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.6 tp -70.89 108.14 4.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.035 0.445 . . . . 54.41 110.36 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 m -98.97 111.01 23.53 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.825 -0.625 . . . . 73.21 110.485 -178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.754 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 30.6 m -128.65 135.62 61.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.073 -0.512 . . . . 73.42 110.783 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.97 146.14 23.85 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.693 -0.484 . . . . 64.24 109.693 176.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.632 ' O ' ' HB3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -69.27 5.32 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.485 0.55 . . . . 64.42 112.485 -174.203 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -101.96 -31.37 10.71 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.118 -0.233 . . . . 75.05 111.048 177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.547 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 6.7 p-10 -105.44 -28.05 11.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.632 0.253 . . . . 63.25 110.867 -178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.754 ' HB ' ' HB ' ' A' ' 51' ' ' VAL . 52.1 t -136.64 98.67 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.708 -0.849 . . . . 75.21 108.708 172.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -118.78 -33.09 4.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.426 0.528 . . . . 73.44 112.426 -167.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.717 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 60.3 mtt180 -85.39 148.41 26.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.759 0.314 . . . . 75.14 110.654 -174.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.4 87.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.977 -0.556 . . . . 60.0 110.387 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.98 -31.87 71.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.736 -0.666 . . . . 75.13 110.636 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.717 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 55.2 mt-10 -73.63 -44.7 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.336 -0.393 . . . . 70.55 110.151 179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.56 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.01 -12.24 60.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.384 -0.371 . . . . 65.15 111.596 -179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -84.0 -48.98 9.38 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.414 -0.588 . . . . 71.34 109.414 170.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -54.62 -51.44 65.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.874 -1.057 . . . . 75.24 111.899 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 61' ' ' GLU . 35.8 mm -66.42 -28.25 42.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 75.22 110.974 -175.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 62' ' ' ARG . 50.9 mttp -66.35 -46.41 76.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.693 0.283 . . . . 72.05 110.936 177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.1 mtp180 -65.87 -32.1 73.42 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.848 0.356 . . . . 71.32 110.63 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -70.55 -45.7 64.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.957 -0.565 . . . . 44.11 110.045 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -81.63 -51.96 7.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.287 0.477 . . . . 61.14 112.287 -174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.0 ttt85 -66.84 -31.31 71.84 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.021 0.378 . . . . 62.43 112.021 -171.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -65.57 -35.66 81.49 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.525 -0.546 . . . . 74.54 109.525 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.1 t -70.38 -33.91 71.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.839 -0.618 . . . . 55.04 110.376 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.597 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 45.1 m-85 -93.32 17.31 11.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.984 0.421 . . . . 72.31 111.201 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -128.52 -50.21 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 61.54 110.362 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.4 tp -79.21 -26.38 42.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.932 -0.576 . . . . 65.21 111.101 -175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -105.3 44.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.265 0.555 . . . . 72.3 109.593 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' CD ' ' H ' ' A' ' 77' ' ' GLN . 0.0 OUTLIER -76.27 -29.79 57.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.114 -0.948 . . . . 54.03 112.831 -170.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -84.27 22.55 1.21 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.046 0.45 . . . . 75.5 111.276 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -143.96 30.15 1.32 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.552 -0.749 . . . . 64.01 109.926 176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.9 pp -145.01 154.65 54.99 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 116.17 -0.468 . . . . 71.41 111.098 178.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.7 Cg_endo -86.15 163.55 10.02 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 123.214 2.61 . . . . 64.45 112.044 176.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.59 88.39 7.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.059 0.456 . . . . 64.2 110.977 -179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -151.74 163.74 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.934 -0.576 . . . . 74.31 110.375 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.525 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 6.8 m-20 -73.6 118.59 16.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 73.14 110.303 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -91.75 93.83 9.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.314 -0.403 . . . . 74.31 110.642 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.692 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.9 p -84.56 112.95 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.581 0.705 . . . . 55.04 109.773 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.7 114.55 39.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.418 -0.81 . . . . 72.35 110.233 -176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.7 t -92.3 108.04 19.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 116.351 -0.386 . . . . 54.13 110.007 178.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.548 ' HB1' HG21 ' A' ' 93' ' ' VAL . . . -87.68 113.99 23.87 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.037 -0.528 . . . . 51.35 110.188 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.2 mmpt? -85.26 173.03 10.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 70.5 110.192 -179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 20.3 pttp -68.37 113.2 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.372 0.606 . . . . 60.12 110.541 177.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.521 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 143.11 -31.26 1.97 Allowed Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.549 -0.75 . . . . 72.33 112.415 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.548 HG21 ' HB1' ' A' ' 89' ' ' ALA . 35.5 m -60.97 -30.51 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-O 120.71 0.291 . . . . 73.13 111.683 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -90.93 -4.23 56.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.899 0.38 . . . . 63.22 110.814 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -98.63 -29.49 13.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.507 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 97.4 mt -53.95 137.35 39.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.664 -0.698 . . . . 74.21 111.454 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.569 ' OD2' ' HG2' ' A' ' 99' ' ' ARG . 24.5 t70 -76.06 168.95 19.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.717 -0.674 . . . . 74.44 110.327 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -56.06 -40.42 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.788 0.328 . . . . 64.25 110.835 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.569 ' HG2' ' OD2' ' A' ' 97' ' ' ASP . 30.0 ptt180 -75.32 -30.23 60.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.909 0.385 . . . . 65.43 110.702 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.79 74.9 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.912 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -73.01 -26.1 61.2 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.318 . . . . 62.34 110.402 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.0 t -68.67 -37.97 80.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.686 -0.487 . . . . 62.31 109.686 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -80.29 7.46 9.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.837 -0.62 . . . . 74.44 110.942 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.593 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -115.04 -35.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.098 -0.501 . . . . 64.54 110.421 177.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -54.1 -45.49 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.599 . . . . 64.02 111.477 -178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 110' ' ' ARG . 0.0 OUTLIER -72.18 -16.07 61.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.951 -0.3 . . . . 55.13 111.101 -175.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.593 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.7 mmmt -73.97 -35.05 64.46 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.41 -0.589 . . . . 71.23 109.41 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 104' ' ' ALA . 1.8 mm? -62.93 -40.91 99.06 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 116.038 -0.528 . . . . 64.01 110.236 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 41.7 m0 -68.39 -35.02 77.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.894 -0.594 . . . . 74.35 112.122 -175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 106' ' ' GLU . 49.6 mtt-85 -65.9 -42.27 90.42 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.654 -0.418 . . . . 72.03 110.254 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.455 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 22.1 tpp180 -69.87 -39.17 76.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.705 -0.48 . . . . 74.24 109.705 175.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.415 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 25.9 t60 -54.88 -46.34 74.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.474 -0.785 . . . . 74.41 111.056 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 7.4 t -73.02 -24.83 60.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.056 -0.52 . . . . 63.45 111.299 -175.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -88.55 -38.56 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.762 0.315 . . . . 52.41 111.702 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 28' ' ' ALA . 47.9 tp -66.14 -43.56 86.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.299 -0.409 . . . . 74.31 111.741 -174.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.93 -9.19 59.42 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.177 0.436 . . . . 73.45 112.177 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -117.04 12.28 14.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.759 0.314 . . . . 73.22 110.854 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.76 167.45 23.6 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.823 -0.703 . . . . 53.04 112.203 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.4 -0.81 . . . . 73.52 110.502 179.581 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.9 ttp . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 121.039 0.447 . . . . 74.54 109.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.2 t -135.03 105.67 6.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.043 -0.526 . . . . 75.11 110.522 -177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.4 -171.49 3.6 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.776 -0.453 . . . . 75.43 109.776 175.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD21 ' H ' ' A' ' 41' ' ' SER . 9.5 tp -70.08 -2.66 13.51 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.554 0.576 . . . . 74.32 112.554 -170.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -143.46 151.32 40.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.726 0.298 . . . . 74.14 110.506 177.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -123.53 157.67 61.39 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.404 -0.362 . . . . 62.24 110.822 -177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.72 144.27 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.589 2.193 . . . . 61.34 113.018 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -60.23 -24.06 64.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.452 -0.795 . . . . 72.33 110.902 175.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -81.87 63.43 6.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 74.34 109.811 -178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.7 tp -179.48 -51.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.636 -1.166 . . . . 71.44 108.398 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -163.63 151.12 12.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.727 -1.124 . . . . 72.32 108.919 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.1 mt -67.72 109.59 3.4 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.499 -0.556 . . . . 75.02 109.499 173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.02 103.23 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.222 0.534 . . . . 60.24 110.391 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 32.1 p -92.48 133.25 30.0 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.554 -0.748 . . . . 74.44 110.463 176.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 8.2 Cg_exo -73.92 10.91 1.25 Allowed 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 123.158 2.572 . . . . 64.4 112.96 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.7 m -84.06 97.09 9.12 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.871 -0.418 . . . . 62.52 109.871 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' NE2' ' HB3' ' A' ' 84' ' ' ASP . 18.4 mt-30 -62.27 -31.19 71.74 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 116.475 -0.329 . . . . 62.24 111.094 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -52.76 -38.07 60.43 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.293 0.37 . . . . 71.53 111.518 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.0 m -77.06 -30.49 55.61 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.95 0.405 . . . . 52.53 111.049 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -82.67 -43.16 17.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.071 0.462 . . . . 75.1 110.914 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.575 HG22 ' HB3' ' A' ' 25' ' ' PRO . 9.5 p -70.11 -19.3 22.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.958 -0.564 . . . . 73.23 110.219 -179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -70.13 -23.79 63.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.502 -0.772 . . . . 71.44 110.36 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.2 mm-40 -81.59 -63.63 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 73.54 110.106 -178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -140.0 101.87 6.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.872 -0.604 . . . . 71.44 110.553 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.575 ' HB3' HG22 ' A' ' 21' ' ' VAL . 65.7 Cg_endo -96.64 156.68 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.478 2.785 . . . . 62.33 113.389 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -83.68 98.57 9.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.825 -1.176 . . . . 74.11 107.825 167.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -73.54 113.84 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.653 -172.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -129.31 -176.48 3.9 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.676 -0.693 . . . . 74.01 110.166 177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.11 -145.76 17.8 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.683 -0.77 . . . . 70.35 112.301 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.466 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.0 p -138.14 170.59 10.04 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.129 -0.323 . . . . 70.4 110.129 -178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.466 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 34.6 Cg_exo -62.27 -16.68 52.66 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.588 2.192 . . . . 33.44 112.606 174.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -85.16 -40.64 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.046 0.45 . . . . 73.41 110.411 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.503 HD13 HD21 ' A' ' 108' ' ' LEU . 11.4 tt -144.76 119.33 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.794 -0.639 . . . . 62.21 110.012 -177.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.2 m -102.37 132.52 48.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.934 -0.576 . . . . 72.34 111.446 -172.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 87' ' ' VAL . 3.0 mp -110.81 123.0 66.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.917 0.389 . . . . 74.23 110.228 179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 mp -98.42 111.8 24.03 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.313 -0.625 . . . . 64.45 109.313 175.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.471 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -109.77 138.65 14.96 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.193 -1.003 . . . . 64.35 114.046 -174.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HD3' ' HA ' ' A' ' 38' ' ' ARG . 21.5 mmt180 -147.99 156.94 43.22 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.427 -0.953 . . . . 75.21 108.427 169.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -122.52 136.24 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.302 0.572 . . . . 61.22 111.823 -171.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -157.68 134.03 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.859 -1.064 . . . . 74.23 108.7 173.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.519 ' H ' HD21 ' A' ' 4' ' ' LEU . 7.8 t -79.95 82.05 6.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.276 0.56 . . . . 71.04 109.933 -178.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.1 tp -99.61 -12.86 19.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.333 -0.849 . . . . 73.31 110.301 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.87 -75.42 2.37 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.722 -0.672 . . . . 74.32 111.816 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.417 ' H ' ' CD2' ' A' ' 44' ' ' HIS . 1.5 p80 -86.88 116.03 64.57 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.956 0.408 . . . . 73.21 110.198 178.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 76.1 Cg_endo -90.51 173.75 3.09 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.107 2.538 . . . . 62.11 113.772 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.524 ' HB2' ' OD1' ' A' ' 84' ' ' ASP . 3.0 mmp_? -123.91 174.88 7.27 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.473 -0.936 . . . . 64.32 108.473 174.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 47' ' ' ILE . 11.2 tt -135.45 103.32 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.741 0.781 . . . . 74.4 110.175 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.72 134.59 13.52 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.484 -0.78 . . . . 73.32 111.769 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HG ' HG23 ' A' ' 51' ' ' VAL . 41.1 tp -143.54 89.17 2.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.126 0.489 . . . . 44.25 110.037 -178.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.9 m -89.45 91.03 8.55 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.813 -0.631 . . . . 40.53 110.211 -178.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.52 HG23 ' HG ' ' A' ' 49' ' ' LEU . 83.9 t -96.65 111.86 27.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.528 -0.76 . . . . 53.34 109.959 178.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' HB1' ' HG2' ' A' ' 54' ' ' LYS . . . -78.18 126.12 30.34 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.115 -0.493 . . . . 73.22 110.258 179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -77.91 4.83 11.03 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.132 0.491 . . . . 74.23 110.894 -175.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HG2' ' HB1' ' A' ' 52' ' ' ALA . 21.6 ptmt -93.6 -21.42 19.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.797 -0.638 . . . . 74.33 110.261 175.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 33.7 p30 -116.07 -26.35 7.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.377 -0.374 . . . . 61.44 110.775 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 94' ' ' ALA . 45.8 t -122.5 85.83 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.507 0.67 . . . . 64.2 109.2 171.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.1 ptt180 -101.42 41.36 1.2 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.715 0.769 . . . . 73.41 109.64 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.608 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 3.1 mmp_? -108.84 162.69 13.95 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.315 -0.857 . . . . 74.13 110.793 -176.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.45 -58.45 1.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.022 0.439 . . . . 74.45 111.445 -174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -92.1 -24.65 19.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.328 0.585 . . . . 73.44 109.867 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.608 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 22.0 mp0 -69.81 -26.69 64.37 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.314 -0.857 . . . . 70.33 109.16 175.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -66.7 -33.84 76.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.14 -0.936 . . . . 71.04 108.859 175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.416 ' HA ' ' HE2' ' A' ' 66' ' ' LYS . 86.1 m-20 -71.75 -32.27 67.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.315 -0.857 . . . . 73.44 110.368 177.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -59.14 -50.22 74.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 75.04 110.703 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 43.1 mm -63.35 -38.55 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.348 0.594 . . . . 72.41 110.242 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 63' ' ' ASN . 37.0 ttpt -67.69 -39.26 84.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.437 -0.801 . . . . 62.01 111.531 -178.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -80.98 -37.22 29.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.485 -0.325 . . . . 74.41 111.607 -179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -46.54 88.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.984 -0.376 . . . . 53.32 109.984 -178.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.9 p -65.15 -48.18 74.44 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.027 -0.533 . . . . 71.25 111.388 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 58.3 mtt85 -64.01 -33.14 75.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.514 -0.312 . . . . 75.42 111.798 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -70.01 -57.91 4.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.138 -0.483 . . . . 71.32 110.496 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.462 ' O ' ' HG2' ' A' ' 76' ' ' ARG . 17.5 p -64.66 -41.01 96.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.125 -0.489 . . . . 72.25 111.812 -175.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -55.11 -47.22 75.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.348 -0.387 . . . . 54.25 111.533 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 50.7 ttt180 -89.11 -21.06 23.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.358 -0.383 . . . . 55.33 111.173 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.1 tp -67.08 -26.88 66.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.116 0.484 . . . . 51.51 110.402 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 72' ' ' SER . 7.7 mmm180 -109.34 23.95 13.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 71.42 109.936 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 tp60 -68.82 -3.26 11.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 116.099 -0.5 . . . . 73.23 112.182 -172.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -88.46 -27.54 21.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.919 0.39 . . . . 72.11 110.276 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -112.09 -13.3 13.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.882 -0.599 . . . . 74.03 110.152 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.5 tt -105.23 111.53 65.06 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.724 -0.671 . . . . 72.23 109.232 177.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.12 139.35 89.74 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.882 2.388 . . . . 72.11 112.524 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.6 97.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.791 -0.641 . . . . 74.33 111.282 -178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -154.05 162.46 41.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.696 . . . . 73.44 109.642 176.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.524 ' OD1' ' HB2' ' A' ' 46' ' ' ARG . 11.6 t70 -77.93 143.9 37.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.279 -0.418 . . . . 74.45 111.955 -172.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.471 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 80.3 m-85 -141.38 139.49 33.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.615 -0.72 . . . . 75.15 109.602 177.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.61 111.53 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.023 0.44 . . . . 64.32 110.782 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.49 HG22 HG13 ' A' ' 35' ' ' ILE . 54.6 t -96.96 130.7 45.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.116 -0.493 . . . . 53.41 110.249 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 63.1 t -116.49 129.68 72.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.491 -0.322 . . . . 74.25 110.16 179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.03 129.95 34.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.224 -0.444 . . . . 52.45 110.837 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -99.07 172.02 7.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.977 -0.556 . . . . 73.42 110.089 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 18.5 pttp -82.55 59.12 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.387 0.613 . . . . 74.3 111.331 -178.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -164.41 14.64 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.567 -0.742 . . . . 74.25 112.382 176.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 9.4 p -126.54 5.75 3.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 121.252 0.549 . . . . 74.02 110.455 -176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.512 ' HB2' HG22 ' A' ' 56' ' ' VAL . . . -81.56 -30.65 32.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.273 0.559 . . . . 72.14 110.659 -176.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -116.55 106.59 13.74 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.536 -0.756 . . . . 62.42 109.757 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 pp -132.2 158.25 42.21 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.148 0.499 . . . . 72.34 111.932 -175.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -90.83 162.4 14.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.394 -0.821 . . . . 75.44 109.921 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -62.07 -30.85 71.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.738 -0.21 . . . . 70.23 111.478 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -88.88 -29.35 19.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.793 0.33 . . . . 71.33 110.418 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.99 71.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.387 -0.369 . . . . 43.31 111.168 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -71.63 -24.39 61.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 74.22 110.861 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -79.69 -36.89 36.92 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.709 -0.478 . . . . 75.11 109.709 176.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -63.37 -44.61 94.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.89 -0.596 . . . . 74.15 110.287 177.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -73.53 -23.05 59.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.906 -0.588 . . . . 73.14 110.994 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.71 -43.89 90.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.033 -0.531 . . . . 74.4 110.61 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.502 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -71.29 -25.76 62.58 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.669 -0.412 . . . . 73.02 110.405 -177.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.502 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -70.0 -39.69 75.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.155 0.502 . . . . 62.22 109.981 -178.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 11.2 mp -74.53 -8.45 56.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.525 -0.761 . . . . 73.21 111.437 -179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 26.6 t-105 -108.1 -45.79 3.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.46 -0.336 . . . . 64.51 111.124 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 106' ' ' GLU . 12.3 ttt180 -60.25 -48.02 83.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.459 -0.337 . . . . 63.11 111.086 -176.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -74.93 -18.54 60.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.385 0.612 . . . . 74.45 110.182 178.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.1 t-160 -81.09 -47.88 12.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.726 -0.67 . . . . 74.45 110.621 -175.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.4 t -63.28 -44.56 94.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.986 -0.552 . . . . 53.24 111.61 -175.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -62.79 -19.94 64.53 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.888 0.375 . . . . 72.2 111.316 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 55.5 tp -100.36 -46.26 5.31 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.781 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.14 -27.74 67.56 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.372 0.508 . . . . 55.32 112.372 -173.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -75.86 -9.55 58.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.614 0.245 . . . . 74.03 111.57 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -102.79 151.09 18.04 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.618 -0.801 . . . . 62.52 112.442 -177.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.429 -0.796 . . . . 74.51 109.686 176.279 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtm . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 109.989 -0.374 . . . . 55.44 109.989 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.73 102.82 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.601 -0.518 . . . . 55.12 109.601 175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -154.69 134.41 12.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 53.35 109.842 -177.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.404 ' HG ' HD12 ' A' ' 39' ' ' LEU . 2.4 tm? -91.88 -59.21 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.847 -0.797 . . . . 74.11 108.847 177.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.97 104.96 15.37 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.874 -0.603 . . . . 75.34 109.485 176.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -68.24 146.28 97.91 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.873 -0.603 . . . . 61.12 111.115 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.81 151.69 39.12 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.961 2.441 . . . . 70.42 112.745 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.84 -1.7 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.62 -0.718 . . . . 75.25 112.17 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -61.83 -30.49 70.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.962 0.411 . . . . 60.42 110.714 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -80.14 -0.7 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 64.51 110.999 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 63.14 85.18 0.13 Allowed 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.566 -0.743 . . . . 72.52 111.345 178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.57 98.98 8.51 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.908 -0.587 . . . . 63.22 109.692 177.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.98 136.61 32.92 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.322 -0.399 . . . . 75.34 110.305 -179.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.0 m 67.04 82.46 0.2 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.771 -0.65 . . . . 75.44 110.925 -179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.606 ' HA ' ' HE2' ' A' ' 20' ' ' PHE . 2.6 Cg_exo -77.39 45.9 1.85 Allowed 'Trans proline' 0 CA--C 1.533 0.431 0 C-N-CA 123.329 2.686 . . . . 74.11 112.408 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.9 m -92.71 127.41 38.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.311 -0.404 . . . . 65.1 110.292 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.536 ' O ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -55.3 -38.92 69.29 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.791 -0.641 . . . . 74.34 110.851 -174.498 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -56.7 -24.93 52.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.69 -0.686 . . . . 72.13 112.165 -176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.6 m -89.06 -36.63 15.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.796 0.331 . . . . 64.24 110.867 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' HE2' ' HA ' ' A' ' 15' ' ' PRO . 82.5 m-85 -80.45 -48.82 12.28 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.086 0.402 . . . . 71.23 112.086 -176.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 17' ' ' GLN . 17.3 m -73.41 -5.64 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 73.12 110.96 -176.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 70.5 t80 -89.12 -17.89 28.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.225 -0.443 . . . . 75.24 110.146 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -75.65 -52.36 10.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 74.3 110.061 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -120.4 80.0 29.2 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 116.187 -0.461 . . . . 75.32 110.09 173.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HB2' HD12 ' A' ' 36' ' ' LEU . 90.3 Cg_endo -94.89 140.7 1.18 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.154 2.57 . . . . 50.3 113.012 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -104.83 139.35 39.73 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.942 -0.572 . . . . 74.23 109.948 171.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.53 ' HG2' HG23 ' A' ' 34' ' ' THR . 4.2 tmm_? -87.14 100.15 12.45 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.386 -0.598 . . . . 73.42 109.386 -179.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.25 144.89 30.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.466 . . . . 53.11 111.497 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.52 ' HA2' ' HA ' ' A' ' 108' ' ' LEU . . . 89.21 -104.67 3.12 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.852 -0.613 . . . . 73.44 113.309 173.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.494 HG21 ' HB1' ' A' ' 104' ' ' ALA . 17.7 p -128.33 163.3 45.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.336 0.112 . . . . 75.01 111.132 -175.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -87.22 -10.29 5.72 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 122.816 2.344 . . . . 70.14 113.086 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -89.35 -35.38 16.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.123 0.487 . . . . 73.03 110.207 179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tt -129.19 108.53 17.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.429 -0.952 . . . . 72.1 108.429 169.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.53 HG23 ' HG2' ' A' ' 27' ' ' ARG . 7.1 m -96.1 123.95 39.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.608 -0.724 . . . . 73.24 112.04 -167.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.588 HG12 ' HZ ' ' A' ' 73' ' ' PHE . 3.6 mp -99.98 119.16 47.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.294 -0.632 . . . . 72.2 109.294 173.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.642 ' HB2' HG13 ' A' ' 86' ' ' VAL . 2.9 mm? -106.65 135.72 47.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.828 0.347 . . . . 62.12 110.267 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.621 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . 174.0 -174.73 46.43 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 120.671 -0.776 . . . . 45.03 112.025 176.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 1.8 tpm_? -170.47 -71.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 122.765 0.426 . . . . 62.35 109.86 178.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.404 HD12 ' HG ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -156.44 109.97 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.449 -0.575 . . . . 65.43 109.449 -178.017 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -140.15 113.84 8.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.287 -0.415 . . . . 74.34 110.126 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.5 p -80.01 67.2 5.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.032 0.444 . . . . 72.24 111.196 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.9 tp -78.97 -31.9 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.949 -0.569 . . . . 74.02 109.95 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.83 -16.13 60.08 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.915 -0.66 . . . . 71.42 112.01 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -126.24 113.81 23.69 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.893 -0.41 . . . . 65.44 109.893 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_exo -61.65 106.56 0.44 Allowed 'Trans proline' 0 C--O 1.236 0.409 0 C-N-CA 122.47 2.113 . . . . 73.02 110.712 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.527 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -130.84 145.06 51.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.026 0.441 . . . . 75.43 111.148 -173.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.49 HD11 ' HB ' ' A' ' 69' ' ' THR . 5.5 tt -98.28 110.65 26.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.713 -0.676 . . . . 64.14 110.256 176.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 62.92 3.48 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.841 -0.695 . . . . 73.24 111.93 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.433 HD13 HG21 ' A' ' 69' ' ' THR . 63.4 tp -63.04 116.08 5.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.92 0.391 . . . . 53.03 110.414 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.8 m -118.27 109.47 16.37 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.822 -0.626 . . . . 42.22 109.886 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.0 141.59 32.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.05 -0.523 . . . . 63.21 110.315 -177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -106.78 169.07 8.76 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.208 -0.451 . . . . 64.31 110.668 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -86.78 -2.52 58.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.156 0.503 . . . . 72.54 110.191 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -95.81 -29.89 13.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.104 -0.498 . . . . 73.22 111.655 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.51 ' ND2' HG23 ' A' ' 56' ' ' VAL . 2.6 p-10 -93.77 -25.0 17.59 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-O 120.805 0.336 . . . . 71.41 111.186 -175.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG23 ' ND2' ' A' ' 55' ' ' ASN . 85.5 t -122.17 107.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 109.357 -0.609 . . . . 72.33 109.357 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -93.42 -29.52 15.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 72.44 111.776 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' HD2' ' N ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -97.22 136.27 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.153 0.501 . . . . 74.43 111.272 -178.504 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.83 -46.36 78.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.478 -0.783 . . . . 74.01 112.164 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 63' ' ' ASN . 84.4 m-70 -70.62 -21.32 62.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.877 0.37 . . . . 53.01 111.222 -176.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.559 ' O ' HG12 ' A' ' 65' ' ' ILE . 52.8 mm-40 -72.75 -33.62 66.49 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.848 -0.427 . . . . 74.4 109.848 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.405 ' HB2' HG11 ' A' ' 56' ' ' VAL . 53.1 ttp180 -66.71 -28.74 68.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.883 -0.598 . . . . 74.11 109.739 176.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' A' ' 60' ' ' HIS . 15.9 m120 -61.79 -49.57 75.82 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 115.83 -0.623 . . . . 65.42 109.402 172.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.6 ttp180 -63.74 -40.56 97.01 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.392 -0.822 . . . . 72.15 111.224 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.559 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.5 mm -60.57 -43.3 94.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.802 0.334 . . . . 71.33 111.142 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -74.04 -18.73 60.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.752 0.31 . . . . 61.5 111.416 -178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 40.5 mtp85 -81.1 -36.28 30.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.731 0.3 . . . . 71.23 110.692 177.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -73.0 -44.23 61.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 52.4 110.221 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.49 ' HB ' HD11 ' A' ' 47' ' ' ILE . 12.4 p -65.32 -49.56 68.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.873 -0.603 . . . . 75.24 111.535 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -81.19 11.48 4.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.346 0.593 . . . . 71.33 110.842 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -99.38 -52.34 3.53 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.144 -0.687 . . . . 73.12 109.144 171.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 p -67.65 -46.04 73.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.518 -0.765 . . . . 70.41 111.034 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.588 ' HZ ' HG12 ' A' ' 35' ' ' ILE . 81.0 m-85 -79.56 5.21 13.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.55 -0.296 . . . . 72.34 111.687 -178.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.4 ttt180 -109.78 -51.17 2.9 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 110.389 -0.226 . . . . 75.25 110.389 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.95 -26.68 65.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 64.4 111.032 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.47 ' HG2' ' CD1' ' A' ' 109' ' ' TRP . 9.1 mpt_? -103.16 46.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.411 0.624 . . . . 65.21 109.643 178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -71.36 -18.03 62.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.259 -0.882 . . . . 62.41 111.369 -175.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.24 10.54 41.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.603 -0.271 . . . . 74.41 110.749 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -98.4 12.46 34.87 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.085 0.469 . . . . 75.21 110.723 -176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.589 ' HB3' ' CE1' ' A' ' 112' ' ' HIS . 2.5 pt? -153.95 150.95 23.73 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.181 -0.463 . . . . 71.34 110.388 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 2.8 Cg_exo -76.65 -157.42 0.07 OUTLIER 'Trans proline' 0 CA--C 1.533 0.449 0 C-N-CA 123.031 2.487 . . . . 70.45 111.609 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.54 45.71 0.6 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.117 0.484 . . . . 71.42 111.149 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.8 mmt -115.1 148.59 38.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.906 -0.588 . . . . 54.45 109.845 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -112.54 156.67 22.25 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.625 -0.509 . . . . 75.32 109.625 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 95.2 m-85 -138.37 137.58 37.46 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.511 -0.313 . . . . 74.1 110.65 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.642 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.8 p -88.74 128.42 40.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.114 0.483 . . . . 75.24 109.849 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 35' ' ' ILE . 41.0 t -111.9 112.39 40.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.16 -0.473 . . . . 54.33 110.473 -176.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 58.3 t -112.66 118.38 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.234 -0.439 . . . . 75.0 110.151 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.593 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -91.95 148.79 21.94 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.308 -0.405 . . . . 74.12 110.982 -178.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.588 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 8.9 mmpt? -90.89 173.88 7.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.23 -0.441 . . . . 61.21 110.614 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HB3' ' NZ ' ' A' ' 91' ' ' LYS . 6.2 ttpm? -77.13 120.87 22.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.662 -0.496 . . . . 65.24 109.662 177.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.502 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 126.51 -23.72 5.66 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.33 -0.938 . . . . 72.42 112.253 -179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.593 HG11 ' HB1' ' A' ' 89' ' ' ALA . 10.2 p -61.1 -27.77 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 121.335 0.588 . . . . 60.13 110.667 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.547 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -82.91 3.1 31.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.548 -0.751 . . . . 63.15 110.921 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -133.4 26.3 4.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.421 0.629 . . . . 73.14 110.32 -176.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 89.7 mt -103.57 156.91 17.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.921 -0.581 . . . . 73.34 111.387 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.79 142.69 57.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.556 -0.747 . . . . 75.25 110.142 173.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -62.83 -32.13 73.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.459 0.647 . . . . 72.42 109.36 173.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 35.9 ttp180 -58.5 -43.71 89.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.894 -1.048 . . . . 75.31 110.796 174.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.08 89.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.379 . . . . 72.53 110.754 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.6 mt -63.42 -40.19 96.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.879 -0.6 . . . . 64.24 110.365 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.9 t -61.08 -44.58 97.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.795 -0.639 . . . . 65.11 110.687 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 40.6 mm-40 -63.58 -41.51 98.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.331 -0.395 . . . . 73.4 110.84 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.494 ' HB1' HG21 ' A' ' 30' ' ' THR . . . -72.32 -24.52 61.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 41.13 111.926 -176.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.0 tt -56.95 -46.48 82.07 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.058 -0.519 . . . . 74.11 111.092 -175.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.591 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -71.75 -25.44 62.05 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.922 -0.311 . . . . 71.01 111.223 -176.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.591 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 18.9 mmmt -71.79 -41.74 67.95 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.959 -0.756 . . . . 71.41 108.959 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.52 ' HA ' ' HA2' ' A' ' 29' ' ' GLY . 32.6 tp -64.86 -47.71 76.91 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.205 -0.907 . . . . 74.21 110.43 176.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.47 ' CD1' ' HG2' ' A' ' 76' ' ' ARG . 40.1 t90 -53.03 -53.45 49.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.969 -0.56 . . . . 72.15 112.246 -176.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -67.15 -40.77 86.76 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.204 0.446 . . . . 74.3 112.204 -175.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' HD3' ' O ' ' A' ' 111' ' ' ARG . 8.5 tpp180 -72.43 -32.79 66.61 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.044 -0.354 . . . . 74.13 110.044 177.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 80' ' ' LEU . 58.1 t-80 -58.58 -42.34 87.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 52.44 110.03 176.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -67.7 -55.21 14.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.916 -0.584 . . . . 63.53 110.956 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 19.3 mmt85 -64.88 -26.87 68.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.845 -0.616 . . . . 62.14 112.212 -174.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 24.7 tp -87.41 -46.79 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.801 -0.36 . . . . 74.54 111.097 -178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.31 -33.13 71.15 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.041 0.385 . . . . 72.43 112.041 -174.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 117' ' ' ARG . 24.0 mtt180 -95.14 1.5 54.86 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.729 -0.389 . . . . 74.55 110.944 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -145.18 -138.75 3.32 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.288 -0.958 . . . . 40.32 113.172 -175.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--O 1.246 0.901 0 CA-C-O 118.674 -0.679 . . . . 60.33 109.873 -175.143 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.137 -0.32 . . . . 64.24 110.137 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.9 m -68.82 -17.34 21.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 112.338 0.495 . . . . 74.25 112.338 -177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -109.74 119.9 40.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.116 0.484 . . . . 75.53 110.309 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD11 ' HG ' ' A' ' 39' ' ' LEU . 4.7 tt -82.04 120.11 24.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.464 -0.789 . . . . 65.31 110.078 -177.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -88.04 101.99 14.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.244 -0.434 . . . . 55.33 110.227 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -97.17 146.74 31.86 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.023 -0.535 . . . . 73.25 110.718 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.15 164.11 36.64 Favored 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.48 2.12 . . . . 75.54 111.657 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -15.25 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.02 0.438 . . . . 70.12 111.29 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -82.33 -16.9 47.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.882 -0.599 . . . . 52.11 110.164 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 10' ' ' LEU . 2.2 tm? -84.4 110.39 18.59 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.316 -0.624 . . . . 43.01 109.316 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -149.7 -169.04 3.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.028 -0.533 . . . . 73.12 109.849 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.61 86.59 0.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 70.3 111.175 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -89.16 -62.33 1.51 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.991 -0.744 . . . . 62.23 108.991 177.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 t -159.83 141.61 9.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.559 -0.746 . . . . 74.3 109.766 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -70.82 -9.35 25.57 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.852 2.368 . . . . 64.23 111.737 174.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.8 t -75.46 115.59 15.28 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.591 -0.522 . . . . 75.12 109.591 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.543 ' O ' HG22 ' A' ' 21' ' ' VAL . 80.2 mm-40 -69.68 -20.49 63.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.026 -0.533 . . . . 63.15 111.264 -174.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -55.8 -29.9 60.46 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.95 0.405 . . . . 74.23 111.456 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.0 m -105.15 -28.67 10.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.23 0.538 . . . . 71.34 110.392 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' HB3' ' HA ' ' A' ' 17' ' ' GLN . 5.6 t80 -69.35 -34.03 73.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 64.34 111.442 -174.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 17' ' ' GLN . 16.3 m -89.75 -13.2 9.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.148 0.499 . . . . 71.52 110.435 176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -77.39 -5.67 50.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.724 -0.671 . . . . 64.35 110.609 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -59.61 -40.75 88.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.203 0.525 . . . . 72.01 109.732 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -151.34 81.4 6.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.602 -0.726 . . . . 71.0 109.25 175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.32 101.67 1.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.299 1.999 . . . . 73.54 112.346 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -77.81 118.59 20.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.48 -0.782 . . . . 63.44 110.164 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.411 ' HA ' HD23 ' A' ' 36' ' ' LEU . 2.2 tmt_? -83.47 117.01 22.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.492 -0.776 . . . . 75.11 110.874 -172.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.61 174.65 10.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.558 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.451 ' HA3' HD13 ' A' ' 35' ' ' ILE . . . 94.58 -142.32 15.98 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.69 -0.767 . . . . 62.43 112.838 176.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 31' ' ' PRO . 2.2 m -109.66 151.99 42.59 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 110.053 -0.351 . . . . 73.4 110.053 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' HD2' ' CG2' ' A' ' 30' ' ' THR . 9.7 Cg_endo -54.8 -39.73 88.37 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 122.249 1.966 . . . . 63.53 111.841 170.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -73.81 -38.4 64.6 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.186 -0.461 . . . . 65.42 111.023 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.458 HD11 HG22 ' A' ' 69' ' ' THR . 5.5 tt -128.63 108.56 17.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.282 0.563 . . . . 50.52 110.059 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.553 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 22.2 m -93.07 129.96 38.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.857 -0.61 . . . . 62.41 111.738 -171.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 HD13 ' HA3' ' A' ' 29' ' ' GLY . 4.1 mp -109.69 118.2 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.27 -0.641 . . . . 64.44 109.27 174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.756 ' HB2' HG13 ' A' ' 86' ' ' VAL . 96.8 mt -112.39 146.61 38.04 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.908 0.385 . . . . 70.33 110.583 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.73 -178.32 37.26 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.253 -0.739 . . . . 53.5 111.253 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -147.24 -82.94 0.12 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.539 -0.541 . . . . 75.34 109.539 178.451 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HG ' HD11 ' A' ' 4' ' ' LEU . 37.0 tp 170.33 90.94 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.136 -1.061 . . . . 73.15 108.136 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.472 ' O ' ' HG3' ' A' ' 83' ' ' MET . 9.8 m120 -135.45 151.86 50.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.096 -0.502 . . . . 71.42 110.107 -169.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.4 m -96.53 94.69 7.52 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.765 0.317 . . . . 64.12 111.026 -179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.686 HD23 ' HA ' ' A' ' 83' ' ' MET . 4.4 mm? -99.41 -27.38 13.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.044 0.449 . . . . 73.44 110.614 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.54 -48.29 3.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.928 -0.653 . . . . 75.34 112.293 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -126.2 153.42 74.37 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.923 -0.399 . . . . 72.12 109.923 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.89 136.61 74.73 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.068 2.512 . . . . 73.14 112.995 -176.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HD3' ' N ' ' A' ' 47' ' ' ILE . 3.7 tmt_? -144.47 143.14 30.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.49 -0.93 . . . . 73.42 108.49 179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.496 ' N ' ' HD3' ' A' ' 46' ' ' ARG . 11.2 tt -136.78 140.4 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.827 0.346 . . . . 52.41 110.849 -176.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.13 106.57 0.69 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.288 -179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.8 tp -77.72 122.8 25.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 74.55 110.586 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.521 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 28.4 m -94.39 109.54 21.39 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.954 -0.566 . . . . 74.22 110.139 178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.482 ' HA ' HD21 ' A' ' 55' ' ' ASN . 12.2 p -142.41 145.56 23.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.965 -0.561 . . . . 70.53 109.952 -179.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.22 -175.19 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.458 -0.337 . . . . 74.24 110.496 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -82.7 13.73 3.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.056 0.455 . . . . 74.31 110.849 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -114.76 -30.65 6.39 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.782 0.29 . . . . 63.35 111.782 -177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.482 HD21 ' HA ' ' A' ' 51' ' ' VAL . 24.3 p-10 -99.2 -37.07 9.44 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.14 -0.224 . . . . 65.11 111.401 -175.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 88.8 t -129.6 100.96 5.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.927 0.394 . . . . 71.44 109.963 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HD2' HH11 ' A' ' 57' ' ' ARG . 51.8 mtm180 -102.44 13.53 34.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.14 -0.482 . . . . 63.13 111.159 -178.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.46 124.57 52.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.077 -0.511 . . . . 70.51 110.107 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.485 ' O ' ' HB3' ' A' ' 62' ' ' ARG . . . -72.19 -34.29 68.29 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.732 0.641 . . . . 73.11 112.732 -170.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -68.89 -46.14 69.15 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.336 0.588 . . . . 73.21 109.947 178.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' O ' HG12 ' A' ' 65' ' ' ILE . 3.3 mp0 -58.87 -33.39 70.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.11 -0.95 . . . . 71.45 110.799 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 59' ' ' ALA . 24.1 ttp180 -49.8 -44.39 49.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.819 -0.628 . . . . 74.22 111.21 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -88.57 0.99 55.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 74.35 111.412 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.7 mtm180 -103.17 -34.22 8.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.615 -0.266 . . . . 75.21 110.747 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 61' ' ' GLU . 47.3 mm -66.37 -41.74 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 75.13 110.823 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -75.96 3.09 10.93 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.144 -0.48 . . . . 74.43 111.821 -176.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -77.7 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.163 0.506 . . . . 72.32 109.854 174.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.401 ' O ' HD13 ' A' ' 68' ' ' LEU . 3.0 tm? -66.12 -38.01 87.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.446 -0.797 . . . . 75.2 110.719 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.458 HG22 HD11 ' A' ' 33' ' ' ILE . 36.9 p -58.02 -49.79 75.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.939 0.399 . . . . 64.03 111.378 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -74.8 -31.91 61.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.843 -178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.31 -53.42 44.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.408 -0.36 . . . . 74.13 110.619 -179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 21.7 p -63.31 -36.87 85.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.88 0.371 . . . . 51.51 110.769 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -60.98 -45.03 96.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.545 -0.752 . . . . 73.21 111.031 177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -72.01 -38.42 69.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.877 -0.601 . . . . 72.33 111.985 -174.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -65.15 -22.06 66.87 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.856 0.688 . . . . 51.45 112.856 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 19.6 mmt180 -111.84 35.25 3.77 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 122.287 -0.258 . . . . 74.31 111.289 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -25.68 65.57 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.731 -0.668 . . . . 73.2 111.494 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -74.7 -20.15 59.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 74.13 110.357 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -118.12 41.68 2.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.967 -0.561 . . . . 64.52 111.222 -173.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.47 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 4.1 pp -155.53 145.3 15.52 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-O 120.994 0.426 . . . . 73.43 111.971 177.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.571 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 4.9 Cg_exo -81.13 162.6 20.31 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 123.001 2.467 . . . . 73.2 110.561 167.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -87.99 95.79 10.26 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.339 0.496 . . . . 75.31 112.339 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.686 ' HA ' HD23 ' A' ' 42' ' ' LEU . 3.8 mpp? -129.66 179.23 5.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.716 -0.674 . . . . 71.3 109.987 174.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.487 ' CG ' ' HD2' ' A' ' 46' ' ' ARG . 44.2 t0 -93.59 107.57 19.41 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.986 -0.746 . . . . 63.3 108.986 171.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -86.5 100.6 12.49 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.869 -0.605 . . . . 75.14 110.868 -177.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.756 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.2 p -78.37 113.3 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.392 -0.822 . . . . 53.52 110.032 177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 59.1 t -105.38 112.19 37.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.38 -0.827 . . . . 62.31 110.543 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.553 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 47.6 t -94.52 109.05 21.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.047 -0.524 . . . . 70.11 110.304 -178.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.544 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -84.8 121.25 27.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.966 -0.561 . . . . 74.44 110.238 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -83.51 156.55 22.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.409 -0.359 . . . . 64.31 110.566 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.3 tttm -57.67 136.42 56.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 63.12 110.645 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.546 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 111.33 -24.51 15.69 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.923 -0.656 . . . . 74.4 111.781 -178.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.544 HG11 ' HB1' ' A' ' 89' ' ' ALA . 8.2 p -59.22 -29.99 42.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 121.02 0.438 . . . . 74.45 111.356 -178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -91.28 17.53 8.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.026 0.441 . . . . 64.12 111.239 -177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -147.26 32.85 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.773 0.797 . . . . 64.33 109.882 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 94.0 mt -105.21 167.45 9.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.697 -0.683 . . . . 74.02 111.146 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -73.41 160.27 32.03 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.622 -0.717 . . . . 65.44 110.236 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.594 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 27.6 t-20 -59.07 -27.87 65.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.79 0.328 . . . . 63.34 110.972 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -66.66 -18.89 65.61 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-N 116.593 -0.276 . . . . 62.4 111.028 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.06 -38.69 79.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.626 -0.261 . . . . 54.43 111.453 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 98' ' ' ASN . 4.3 pp -73.9 -22.19 59.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.987 0.422 . . . . 61.51 110.607 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.1 t -76.33 -38.98 55.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.166 0.508 . . . . 65.22 109.769 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -67.91 -49.33 62.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.592 -0.731 . . . . 64.31 110.246 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.67 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -62.28 -23.37 66.68 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.742 -0.663 . . . . 70.05 111.684 -177.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 40.7 tp -58.49 -43.9 89.17 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.31 -0.405 . . . . 65.53 110.917 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.612 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -77.03 -29.79 55.44 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.638 -0.425 . . . . 73.2 110.009 -178.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.67 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 19.8 mmmt -64.58 -30.31 71.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.161 0.505 . . . . 71.52 109.638 -178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 4.2 mm? -80.92 -61.42 1.97 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.684 -0.689 . . . . 65.1 110.687 175.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -57.91 -56.47 21.54 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.572 0.582 . . . . 73.03 112.572 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -61.17 -37.63 83.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.78 . . . . 72.33 111.075 -173.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.9 tpp180 -82.86 -35.57 26.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.906 -0.588 . . . . 72.25 111.164 -176.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.569 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 2.0 t-160 -65.31 -45.08 85.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 71.21 110.941 -174.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 43.2 t -64.21 -41.45 97.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.721 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -70.5 -22.7 62.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.02 111.103 -177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 59.4 tp -85.15 -46.61 10.95 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.278 -0.419 . . . . 65.34 110.668 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.71 -30.17 71.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.059 -0.519 . . . . 75.42 111.196 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -93.15 93.33 8.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.493 . . . . 64.14 110.069 177.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 140.71 45.51 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.82 -0.627 . . . . 73.43 111.871 -178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.394 -0.813 . . . . 75.3 109.848 -179.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 120.778 0.323 . . . . 61.24 110.534 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.65 168.81 17.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.165 -0.47 . . . . 72.22 109.91 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.489 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 31.7 ttpt -158.57 172.52 18.15 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.083 -0.71 . . . . 74.11 109.083 179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' H ' ' HG2' ' A' ' 3' ' ' LYS . 3.6 mm? -83.25 73.67 10.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.343 0.592 . . . . 65.42 110.29 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.06 93.35 2.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.312 -0.858 . . . . 74.53 109.917 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 7' ' ' PRO . 93.3 m-85 -99.46 113.78 65.13 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.096 -0.502 . . . . 75.21 109.8 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 6' ' ' PHE . 12.9 Cg_endo -56.0 -17.65 20.04 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.54 2.827 . . . . 73.21 113.285 -176.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.427 ' HE ' ' CD ' ' A' ' 9' ' ' GLU . 3.1 ptm180 -70.26 -42.72 71.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.134 -0.485 . . . . 75.35 111.472 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.427 ' CD ' ' HE ' ' A' ' 8' ' ' ARG . 27.6 mp0 -106.15 5.54 30.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.752 0.31 . . . . 75.44 110.68 177.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.1 tp -70.21 -11.26 60.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.264 -0.425 . . . . 75.15 111.936 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.7 ttm180 -71.91 -25.92 62.1 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.49 -0.559 . . . . 73.44 109.49 177.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.4 mt -86.99 87.51 7.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.828 -0.624 . . . . 75.43 109.815 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -76.14 115.17 15.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.462 0.649 . . . . 51.43 111.244 -178.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.463 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 6.7 t -161.39 135.49 5.08 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.753 -0.658 . . . . 64.42 110.095 178.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 3.3 Cg_exo -81.24 9.47 3.84 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.955 2.437 . . . . 70.2 111.972 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -83.6 112.3 19.89 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.985 -0.552 . . . . 53.55 110.844 -179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 21' ' ' VAL . 1.4 pm0 -70.01 -24.92 63.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.816 -0.439 . . . . 72.25 109.816 175.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -62.74 -33.1 74.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 73.21 110.246 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.8 m -82.75 -23.62 33.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.88 -0.6 . . . . 72.33 110.304 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 24.7 t80 -79.63 -36.01 38.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.026 -0.534 . . . . 63.52 110.442 -178.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.904 ' HB ' ' HA2' ' A' ' 37' ' ' GLY . 18.9 m -74.75 -25.06 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 63.22 110.582 178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -70.07 -16.65 63.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.174 0.511 . . . . 61.34 110.463 -179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.571 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 60.4 mt-30 -65.13 -29.36 70.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.677 -0.692 . . . . 72.13 111.326 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 38' ' ' ARG . 59.9 tt0 -169.59 77.65 0.68 Allowed Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.698 -0.482 . . . . 75.5 109.698 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -88.53 131.27 2.42 Favored 'Trans proline' 0 N--CA 1.454 -0.807 0 C-N-CA 122.785 2.324 . . . . 73.24 113.174 -176.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -84.29 139.16 32.51 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.775 -0.454 . . . . 70.52 109.775 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.431 ' HA ' HD23 ' A' ' 36' ' ' LEU . 2.3 tmm_? -96.74 113.02 24.54 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.026 -0.534 . . . . 74.34 110.447 -173.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.91 141.07 44.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.429 -0.35 . . . . 70.41 110.654 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 123.01 -137.13 10.95 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.599 -0.81 . . . . 74.13 112.612 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.539 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 41.6 p -130.18 163.52 47.15 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.364 . . . . 70.53 110.019 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.539 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 37.7 Cg_endo -66.83 -8.15 20.56 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 74.52 113.154 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.567 HE21 ' HA ' ' A' ' 93' ' ' VAL . 51.7 tp60 -99.07 -31.34 11.82 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.151 0.5 . . . . 74.4 110.167 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 tt -144.14 108.15 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.573 0.702 . . . . 44.23 109.463 174.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.1 m -111.04 131.46 55.05 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.505 -0.77 . . . . 62.52 111.247 -173.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.4 mp -101.01 118.64 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.304 -0.628 . . . . 70.1 109.304 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 27' ' ' ARG . 80.2 mt -120.72 164.38 16.65 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.947 -0.57 . . . . 51.4 110.045 -178.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.904 ' HA2' ' HB ' ' A' ' 21' ' ' VAL . . . 147.57 167.73 13.51 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 119.884 -1.15 . . . . 61.2 113.448 174.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.629 ' HD3' ' HB3' ' A' ' 24' ' ' GLN . 17.4 ptt180 -163.1 143.85 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.497 -0.927 . . . . 73.31 108.497 174.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 40' ' ' ASN . 16.2 tp -169.92 -104.67 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.773 -0.455 . . . . 54.35 109.773 178.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.435 ' H ' ' HB3' ' A' ' 39' ' ' LEU . 61.1 t30 178.18 157.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.8 -0.815 . . . . 73.42 108.8 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.0 m -71.7 84.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.218 0.532 . . . . 64.11 109.91 176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.2 mt -97.51 -7.17 32.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 74.21 110.956 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 24.98 58.07 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.451 -0.881 . . . . 40.25 112.06 -177.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -135.94 86.8 25.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 120.745 0.307 . . . . 73.44 110.434 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.559 ' HB3' ' HA ' ' A' ' 82' ' ' ALA . 73.1 Cg_endo -90.48 142.81 3.58 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.923 2.415 . . . . 72.35 113.077 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 84' ' ' ASP . 12.7 tpt180 -157.37 143.24 17.57 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.726 -0.472 . . . . 71.14 109.726 176.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.1 tt -87.5 116.26 29.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.373 0.606 . . . . 71.21 110.957 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.66 69.74 0.61 Allowed Glycine 0 N--CA 1.443 -0.836 0 C-N-CA 121.024 -0.608 . . . . 45.3 111.787 178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -66.27 109.88 2.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.151 0.5 . . . . 73.12 110.474 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.0 m -101.8 100.05 10.35 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.868 -0.606 . . . . 74.41 110.06 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 p -125.78 115.04 41.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.399 -0.818 . . . . 55.21 110.665 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -92.81 158.11 16.05 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.654 -0.703 . . . . 51.34 110.786 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -67.42 -10.29 49.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.943 -0.572 . . . . 74.5 111.631 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HG3' ' OD1' ' A' ' 55' ' ' ASN . 21.0 ptmt -93.7 -12.64 28.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.997 0.427 . . . . 71.31 110.311 178.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.568 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.0 m-20 -102.25 -50.48 3.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 64.04 110.203 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HG3' ' A' ' 62' ' ' ARG . 45.5 t -126.07 126.74 70.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.508 -0.923 . . . . 63.41 108.508 174.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.632 ' HB2' ' HD2' ' A' ' 58' ' ' ARG . 81.1 mtt180 -101.06 -63.22 1.16 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.947 0.403 . . . . 63.5 111.955 -165.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.73 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 4.7 mpt_? -68.38 145.52 54.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.053 -0.521 . . . . 74.3 110.573 -168.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.0 -35.83 81.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.084 -0.507 . . . . 72.43 110.731 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.0 t60 -64.42 -36.84 85.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.225 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.73 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 60.5 mt-10 -65.28 -56.04 14.96 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-O 121.208 0.528 . . . . 60.33 110.19 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 62' ' ' ARG . 50.4 mtm180 -62.21 -27.81 69.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.42 -0.809 . . . . 74.43 111.595 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 27.1 t-20 -69.6 -45.69 68.0 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.157 -0.312 . . . . 75.04 110.157 174.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -64.09 -40.12 95.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.275 -0.42 . . . . 75.55 111.16 178.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.2 mm -60.91 -37.02 75.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.296 -0.411 . . . . 74.25 110.754 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm -78.06 -1.02 30.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.375 . . . . 70.31 111.565 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.473 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 51.7 mtt180 -99.66 -37.0 9.3 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.954 0.407 . . . . 75.42 109.947 174.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -71.98 -58.06 3.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.314 -177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 38.5 p -68.02 -32.75 73.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.037 -0.529 . . . . 75.14 111.693 -174.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ttt180 -72.96 -20.33 61.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.677 -176.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -97.66 -28.83 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.553 -0.294 . . . . 65.13 110.924 -178.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.2 p -67.44 -45.27 76.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.757 0.313 . . . . 64.23 110.881 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HA ' ' CH2' ' A' ' 109' ' ' TRP . 55.1 m-85 -72.59 -11.56 60.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.042 0.448 . . . . 74.1 110.863 177.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.1 ttt-85 -102.1 -5.93 23.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.877 -0.601 . . . . 75.11 110.354 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' HG ' ' HG3' ' A' ' 76' ' ' ARG . 62.6 tp -77.62 -58.47 3.25 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.105 -0.498 . . . . 64.15 110.398 -177.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HB3' ' HG2' ' A' ' 79' ' ' GLU . 28.4 mtp85 -129.9 77.03 1.76 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.939 -0.573 . . . . 64.51 110.575 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.575 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.5 OUTLIER -75.23 2.52 10.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.851 -0.613 . . . . 63.24 111.869 -177.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -89.6 -11.65 42.03 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.715 -0.476 . . . . 75.54 109.715 175.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.446 ' HG2' ' HB3' ' A' ' 76' ' ' ARG . 35.1 mm-40 -94.19 11.27 30.75 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 109.081 -0.711 . . . . 74.44 109.081 173.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' A' ' 112' ' ' HIS . 22.9 tp -132.2 125.22 19.82 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.027 -0.988 . . . . 72.14 110.307 -173.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.45 137.97 62.92 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.243 1.962 . . . . 72.01 110.772 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -75.94 86.93 2.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.089 0.471 . . . . 72.05 111.937 -174.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.1 ptp -157.5 -178.7 7.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.376 -0.829 . . . . 54.24 109.478 177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 46' ' ' ARG . 4.8 m-20 -82.39 119.46 24.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.762 0.315 . . . . 61.14 110.866 177.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -112.14 133.25 54.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.32 -0.4 . . . . 72.43 110.595 176.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.7 t -94.73 118.88 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 116.099 -0.501 . . . . 62.42 110.726 -177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.0 t -100.82 105.33 17.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.056 -0.52 . . . . 65.13 110.021 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.5 t -89.96 106.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.258 -0.428 . . . . 70.03 110.657 -178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -86.76 123.18 31.63 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.854 -0.612 . . . . 74.21 109.948 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.614 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.0 mmpt? -80.23 176.65 9.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.19 0.519 . . . . 71.54 111.524 -177.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.568 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 48.2 mtmt -67.87 126.87 30.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.496 -0.774 . . . . 74.32 111.358 -175.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 71.92 29.82 66.58 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.604 -0.726 . . . . 54.41 112.884 177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.567 ' HA ' HE21 ' A' ' 32' ' ' GLN . 8.1 p -69.76 -21.53 24.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.922 0.392 . . . . 70.32 110.87 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 65' ' ' ILE . . . -90.54 -2.31 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 65.24 110.994 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -95.83 35.51 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 122.188 0.994 . . . . 63.12 110.082 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.2 mt -120.3 153.86 35.8 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.285 -0.87 . . . . 74.34 109.589 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.81 151.25 47.09 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.756 -0.461 . . . . 63.35 109.756 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -24.47 67.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.719 0.295 . . . . 71.15 111.132 -177.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 99' ' ' ARG . 12.1 ttm180 -68.01 -51.07 51.27 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.325 -0.62 . . . . 72.53 109.325 173.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.2 88.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.427 -0.806 . . . . 74.44 111.01 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.13 -45.2 87.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 74.51 110.624 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 14.2 t -66.59 -41.69 88.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.126 -0.488 . . . . 64.35 110.26 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -78.45 5.56 10.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.24 -0.436 . . . . 70.33 111.491 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -109.74 -35.83 6.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.27 0.557 . . . . 33.03 109.697 173.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 2.8 tm? -66.0 -43.82 86.61 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.29 -0.868 . . . . 74.23 110.034 178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 2.9 pt-20 -61.8 -31.85 72.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.335 . . . . 70.32 110.934 -179.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 29.5 mmmt -61.81 -51.9 66.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.858 0.361 . . . . 72.22 110.424 -178.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -71.97 -30.52 65.36 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.875 -0.602 . . . . 75.14 111.374 -175.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.432 ' CH2' ' HA ' ' A' ' 73' ' ' PHE . 23.5 t-105 -81.02 -39.06 26.44 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.669 -0.412 . . . . 73.43 110.458 -177.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -67.87 -34.94 77.65 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.288 -0.634 . . . . 51.23 109.288 177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -65.65 -39.79 91.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.466 -0.788 . . . . 70.24 109.995 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.501 ' CE1' HD12 ' A' ' 80' ' ' LEU . 22.0 t-80 -71.25 -39.9 71.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.894 -177.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 47.1 t -59.66 -47.64 84.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.155 0.502 . . . . 72.42 110.138 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -79.96 15.39 1.47 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 61.22 111.306 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.1 tp -125.62 -50.43 1.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.873 0.368 . . . . 74.5 110.591 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.62 -24.62 65.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.886 -0.597 . . . . 73.2 111.487 -177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 117' ' ' ARG . 67.7 mtt-85 -87.68 14.9 7.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.322 -0.399 . . . . 61.32 110.928 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -129.97 -111.59 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.84 -0.695 . . . . 74.11 111.898 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.385 -0.816 . . . . 72.44 109.503 179.338 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.8 mtm . . . . . 0 N--CA 1.482 1.132 0 N-CA-C 110.24 -0.282 . . . . 71.21 110.24 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 145.61 10.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 116.388 -0.369 . . . . 72.32 110.32 179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.608 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 37.8 ttmt -152.59 156.62 39.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.404 -0.362 . . . . 72.53 110.265 -173.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HB3' ' CB ' ' A' ' 39' ' ' LEU . 3.7 mm? -72.19 -23.53 61.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.069 0.461 . . . . 71.21 110.072 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.608 ' H ' ' HG2' ' A' ' 3' ' ' LYS . . . -99.75 120.44 39.73 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.281 -0.637 . . . . 31.53 109.281 174.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.456 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 92.4 m-85 -75.14 132.76 76.12 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.458 -0.337 . . . . 73.21 110.815 -176.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 21.9 Cg_exo -66.33 1.47 2.5 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.142 2.561 . . . . 74.11 112.731 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -85.22 -9.78 57.36 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.903 -0.59 . . . . 75.52 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.642 ' HG3' HD22 ' A' ' 10' ' ' LEU . 5.3 pt-20 -75.96 -18.28 59.39 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.86 0.362 . . . . 63.04 110.487 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.642 HD22 ' HG3' ' A' ' 9' ' ' GLU . 2.9 mm? -84.18 77.07 10.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.185 0.517 . . . . 73.41 109.637 176.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 69.0 ttt180 -165.5 160.18 17.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.403 -0.817 . . . . 64.12 109.341 -175.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.01 106.84 0.46 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.233 0.539 . . . . 72.13 109.758 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 11' ' ' ARG . 96.6 mt -114.96 143.9 44.44 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.73 -0.668 . . . . 74.04 110.111 -179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.4 m -68.25 127.45 93.26 Favored Pre-proline 0 C--N 1.318 -0.776 0 N-CA-C 109.648 -0.501 . . . . 63.21 109.648 177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.65 96.64 0.03 OUTLIER 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.239 2.626 . . . . 44.24 113.076 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.9 t -172.34 123.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.195 -0.911 . . . . 72.12 108.9 -179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -78.94 -17.75 54.96 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.714 -0.394 . . . . 63.55 110.207 -177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' O ' HG22 ' A' ' 21' ' ' VAL . 89.4 m-85 -84.58 -45.42 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.101 -0.5 . . . . 63.43 110.004 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.689 ' HA ' ' HD2' ' A' ' 22' ' ' PHE . 23.7 m -66.51 -12.59 58.24 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.251 0.548 . . . . 62.33 110.961 178.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -58.5 -39.56 80.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.818 -0.628 . . . . 74.13 110.509 176.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 18' ' ' PHE . 13.4 m -85.89 -7.25 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.958 0.409 . . . . 53.23 110.863 -178.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.689 ' HD2' ' HA ' ' A' ' 19' ' ' THR . 24.7 m-85 -77.18 3.72 12.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.075 0.464 . . . . 63.4 110.936 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -87.25 -69.76 0.66 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.991 -0.744 . . . . 71.42 108.991 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -143.37 99.01 5.38 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.106 -0.497 . . . . 72.4 109.796 175.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -93.81 170.93 1.91 Allowed 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.052 2.501 . . . . 74.24 113.627 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -117.14 99.46 7.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.784 -0.644 . . . . 64.3 109.386 172.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.495 ' HG3' HG23 ' A' ' 34' ' ' THR . 40.1 ttt-85 -75.79 118.8 18.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.108 -0.496 . . . . 64.41 111.458 -174.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -135.08 91.7 2.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.871 -0.604 . . . . 74.25 110.272 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -174.15 -158.03 17.24 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.103 -0.57 . . . . 50.34 111.828 -178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.54 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 68.3 p -114.96 173.78 2.72 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.426 -0.213 . . . . 50.11 110.426 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.54 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 31.6 Cg_exo -61.09 -27.63 84.58 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.683 2.255 . . . . 61.54 113.269 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -91.52 -35.7 14.14 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.807 -0.357 . . . . 74.34 111.474 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.7 tt -128.11 104.39 11.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.658 0.742 . . . . 73.21 110.22 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.495 HG23 ' HG3' ' A' ' 27' ' ' ARG . 52.9 m -101.06 112.29 24.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.449 -0.796 . . . . 51.41 111.323 -175.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.4 mt -94.65 115.13 32.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 71.24 110.225 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.718 ' HB2' HG13 ' A' ' 86' ' ' VAL . 3.1 mm? -86.57 105.08 16.6 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.221 -0.659 . . . . 74.15 109.221 176.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.618 ' HA2' ' HD1' ' A' ' 85' ' ' PHE . . . -96.13 160.98 22.37 Favored Glycine 0 N--CA 1.442 -0.91 0 C-N-CA 120.563 -0.827 . . . . 64.44 112.836 -176.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -141.54 138.45 32.73 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.026 -0.361 . . . . 65.12 110.026 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' CB ' ' HB3' ' A' ' 4' ' ' LEU . 2.6 mm? -88.36 4.55 45.8 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.002 0.43 . . . . 62.13 110.534 177.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -67.08 98.79 0.61 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 108.557 -0.905 . . . . 72.3 108.557 172.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.446 ' HA ' ' SD ' ' A' ' 83' ' ' MET . 12.4 t -82.44 107.09 14.84 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.22 0.534 . . . . 53.44 111.111 -172.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -102.67 -1.9 29.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.471 -0.786 . . . . 72.21 110.41 175.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 60.92 37.61 94.07 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.724 -0.751 . . . . 70.33 111.457 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.4 ' HD2' ' HB2' ' A' ' 46' ' ' ARG . 9.1 t60 -127.67 86.8 57.51 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 109.96 -0.385 . . . . 53.24 109.96 -172.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.534 ' HG3' ' HB1' ' A' ' 82' ' ' ALA . 4.0 Cg_exo -75.5 102.26 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.87 2.38 . . . . 74.24 111.959 -178.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 44' ' ' HIS . 1.4 mpt_? -146.14 150.81 36.6 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.839 0.352 . . . . 75.23 110.373 -179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.7 tt -116.39 108.03 24.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.358 0.599 . . . . 72.15 110.0 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.06 91.32 1.44 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.944 -0.646 . . . . 50.45 112.28 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD13 HG21 ' A' ' 69' ' ' THR . 59.8 tp -72.96 110.7 7.45 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.93 -0.396 . . . . 72.1 109.93 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.4 m -108.38 104.57 13.96 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.942 -0.572 . . . . 73.34 109.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.1 p -125.12 136.87 59.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.001 -0.545 . . . . 43.23 110.053 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -110.69 146.42 36.28 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.341 -0.614 . . . . 72.14 109.341 177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.11 61.76 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.642 0.734 . . . . 65.24 111.586 -175.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 55' ' ' ASN . 4.2 ptpp? -130.06 -36.78 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.841 -0.618 . . . . 71.3 110.158 174.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.436 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.9 p-10 -90.05 -35.54 15.42 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.681 -0.488 . . . . 73.31 109.681 177.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 44.5 t -117.35 89.18 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.759 -0.655 . . . . 65.52 109.657 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.3 mtm105 -108.34 74.97 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.207 0.527 . . . . 75.34 110.362 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.57 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 3.7 tpm_? -161.1 -149.39 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.381 -0.827 . . . . 64.41 109.032 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.477 ' H ' ' HG3' ' A' ' 58' ' ' ARG . . . -134.21 -47.55 0.78 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.509 0.559 . . . . 64.52 112.509 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -69.38 -30.58 68.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.378 0.609 . . . . 75.01 110.613 -172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.605 ' HA ' ' HD2' ' A' ' 64' ' ' ARG . 22.5 mp0 -71.74 -15.89 62.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.111 -0.95 . . . . 75.15 111.503 -174.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.91 -42.72 94.5 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.097 0.475 . . . . 72.53 110.592 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -75.75 -34.43 60.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.834 -0.621 . . . . 74.43 110.312 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.605 ' HD2' ' HA ' ' A' ' 61' ' ' GLU . 98.5 mtt180 -58.44 -51.49 69.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.702 -0.681 . . . . 72.01 111.449 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.3 mm -65.48 -39.76 86.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.073 -0.512 . . . . 71.11 111.1 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 66.4 mttm -69.58 -36.35 76.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 74.35 111.69 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -64.75 -47.12 79.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.748 -0.381 . . . . 73.43 111.304 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.3 -48.05 81.59 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.46 -0.337 . . . . 73.45 110.651 -176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.42 HG21 HD13 ' A' ' 49' ' ' LEU . 6.1 p -62.32 -56.86 14.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 74.1 112.212 -176.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 66' ' ' LYS . 58.5 mtm180 -57.71 -43.03 84.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.785 0.326 . . . . 74.15 111.421 -177.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -65.65 -40.01 92.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 73.13 111.289 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.562 ' CB ' HD11 ' A' ' 105' ' ' LEU . 38.9 t -75.5 -36.76 60.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.986 -0.286 . . . . 72.45 110.649 178.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.473 ' O ' ' HB2' ' A' ' 77' ' ' GLN . 77.9 t80 -62.75 -32.44 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.137 0.494 . . . . 70.23 110.248 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -75.3 -43.4 51.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.485 -0.779 . . . . 64.44 111.21 -179.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.87 -32.0 63.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 65.24 111.524 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -93.49 7.94 42.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.096 0.474 . . . . 55.13 110.094 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.586 ' O ' ' HB2' ' A' ' 78' ' ' HIS . 8.1 tp-100 -79.96 79.67 6.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 73.32 111.891 -173.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.586 ' HB2' ' O ' ' A' ' 77' ' ' GLN . 8.9 t-80 167.08 -33.14 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.376 -0.829 . . . . 72.13 109.132 174.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.45 -38.04 74.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.718 -0.674 . . . . 51.43 110.289 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 3.5 pp -104.37 158.17 32.52 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.8 -0.636 . . . . 64.34 109.967 177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 80' ' ' LEU . 23.6 Cg_endo -61.81 127.33 21.19 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.558 2.172 . . . . 73.33 112.161 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.534 ' HB1' ' HG3' ' A' ' 45' ' ' PRO . . . -72.7 90.8 1.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.94 -0.573 . . . . 65.11 111.154 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 20.6 mmt -124.29 179.7 4.79 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.724 -0.671 . . . . 71.33 109.844 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -96.73 107.29 19.73 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.16 -0.681 . . . . 70.24 109.16 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.618 ' HD1' ' HA2' ' A' ' 37' ' ' GLY . 71.3 m-85 -109.35 134.58 51.64 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.243 -0.435 . . . . 65.11 111.305 -174.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.718 HG13 ' HB2' ' A' ' 36' ' ' LEU . 3.5 p -94.78 123.44 46.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.302 0.572 . . . . 73.12 109.542 173.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.39 113.71 45.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.01 -0.541 . . . . 72.13 110.565 -176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.5 t -102.95 117.91 49.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.089 0.471 . . . . 62.3 110.429 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -80.63 136.48 36.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.67 -0.695 . . . . 74.23 110.313 179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.608 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.4 mmpt? -103.93 -171.82 2.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.222 -0.445 . . . . 75.51 110.366 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 58.1 pttt -73.12 143.42 47.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.428 -0.351 . . . . 72.33 110.911 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 90.38 4.18 71.23 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.785 -0.721 . . . . 74.22 113.24 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.4 p -82.44 -21.92 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.102 0.477 . . . . 63.01 110.989 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.49 -25.28 31.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 54.35 111.063 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -124.13 104.38 8.82 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.099 -0.5 . . . . 43.43 110.003 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 pp -138.44 168.08 20.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.985 -0.552 . . . . 42.55 110.805 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.617 ' HB2' ' HB2' ' A' ' 100' ' ' ALA . 24.7 m-20 -74.58 165.42 25.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.528 . . . . 71.13 110.246 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -64.01 -45.83 87.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.426 -0.352 . . . . 71.11 111.723 -173.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -85.7 -15.61 41.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.012 0.434 . . . . 75.03 110.48 177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.617 ' HB2' ' HB2' ' A' ' 97' ' ' ASP . . . -65.77 -24.01 66.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.069 -0.514 . . . . 74.32 111.948 -174.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 102' ' ' SER . 4.2 pp -65.66 -33.59 76.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.839 0.352 . . . . 73.04 110.315 176.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.513 ' N ' HD12 ' A' ' 101' ' ' LEU . 8.7 t -78.87 -33.04 46.11 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.909 -0.774 . . . . 33.51 108.909 176.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 51.9 mt-10 -72.31 2.17 6.52 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.308 -0.86 . . . . 72.44 111.616 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -117.53 -38.17 3.36 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.294 0.569 . . . . 63.44 109.795 173.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.591 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 21.3 tp -68.31 -57.88 5.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.359 -0.837 . . . . 73.23 111.689 -176.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.726 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 1.5 pt-20 -65.34 -16.07 63.2 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 111.844 0.313 . . . . 73.55 111.844 -173.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.726 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.2 mmmt -75.76 -43.8 44.81 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.915 -0.402 . . . . 74.31 109.915 -176.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.5 pp -71.25 -19.87 62.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.202 -0.453 . . . . 75.15 110.124 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.552 ' O ' ' HB2' ' A' ' 113' ' ' CYS . 10.9 m0 -60.65 -32.13 71.32 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.372 173.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 7.5 mpt_? -91.28 -45.08 8.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 71.52 110.854 179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -57.81 -40.36 79.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 64.42 110.802 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -87.28 -0.06 56.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.406 -0.361 . . . . 75.42 110.652 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 109' ' ' TRP . 34.8 t -92.31 -34.08 14.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.955 0.407 . . . . 72.33 110.024 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 43.4 mmm-85 -70.22 -21.55 63.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.43 0.633 . . . . 73.34 109.331 175.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.1 tp -95.31 9.99 37.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.531 -0.759 . . . . 50.53 109.71 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.09 -47.01 3.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.738 -0.664 . . . . 71.1 110.868 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -111.8 6.25 19.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.327 -0.397 . . . . 74.34 111.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 86.79 -177.08 48.04 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.659 -0.781 . . . . 42.44 112.205 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.825 -0.607 . . . . 71.05 110.566 179.789 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.394 0.14 . . . . 73.41 110.859 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.3 m -80.34 86.84 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.897 0.856 . . . . 61.34 110.825 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -153.56 142.94 21.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.168 -0.924 . . . . 73.43 109.022 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.54 ' CD1' HD12 ' A' ' 39' ' ' LEU . 12.1 tp -69.57 -33.2 72.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.177 0.513 . . . . 63.42 110.044 -175.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -85.39 134.42 34.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.851 -0.613 . . . . 61.13 110.124 175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -68.49 156.17 91.12 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.378 -0.374 . . . . 70.22 111.425 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.414 ' HB2' ' OE1' ' A' ' 9' ' ' GLU . 39.4 Cg_endo -66.99 166.2 23.66 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.668 2.245 . . . . 62.45 112.892 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 8' ' ' ARG . 16.1 ptt180 -60.14 -30.57 69.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.743 -0.662 . . . . 75.14 111.669 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.414 ' OE1' ' HB2' ' A' ' 7' ' ' PRO . 11.4 mp0 -70.37 -7.22 41.18 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.389 -0.369 . . . . 74.54 111.817 -177.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 10' ' ' LEU . 1.7 tm? -69.74 -19.48 63.53 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.893 -0.41 . . . . 61.54 109.893 178.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 75.27 91.41 0.08 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.413 -0.812 . . . . 70.25 110.996 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.2 tp -115.67 96.6 5.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.237 0.541 . . . . 70.13 110.216 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.04 148.05 23.07 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.969 -0.559 . . . . 62.05 109.735 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.439 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 61.5 p 52.72 89.46 0.1 OUTLIER Pre-proline 0 N--CA 1.465 0.318 0 O-C-N 123.952 0.782 . . . . 74.14 111.385 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 14' ' ' THR . 12.6 Cg_endo -56.59 98.33 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 123.125 2.55 . . . . 73.02 112.964 -175.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 t -163.23 150.39 12.78 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.451 -0.795 . . . . 72.41 108.904 177.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.717 ' HG2' ' HB3' ' A' ' 84' ' ' ASP . 1.1 mp0 -62.11 -32.84 73.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.547 -0.297 . . . . 62.11 110.337 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -55.85 -55.47 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.99 -0.55 . . . . 70.1 110.803 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.4 m -66.48 -32.26 73.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.411 . . . . 73.31 111.008 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -68.41 -50.44 52.84 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.027 -0.533 . . . . 73.1 111.161 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -77.73 -16.57 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 71.13 111.402 -176.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -75.04 -21.85 58.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.481 -0.327 . . . . 55.24 110.995 -178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -60.4 -42.82 96.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.84 0.352 . . . . 50.32 110.942 -179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' O ' ' HD3' ' A' ' 38' ' ' ARG . 2.9 tm0? -155.12 86.79 3.35 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 108.629 -0.878 . . . . 72.31 108.629 175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.54 ' HB2' HD22 ' A' ' 36' ' ' LEU . 2.3 Cg_endo -81.65 126.76 5.41 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.162 2.575 . . . . 72.03 113.316 -172.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -78.35 122.03 25.24 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.605 -0.887 . . . . 73.11 108.605 171.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HA ' HD23 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -98.49 127.87 44.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.21 0.529 . . . . 73.1 111.818 -173.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.428 ' HB2' HD22 ' A' ' 115' ' ' LEU . . . -140.96 162.41 35.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.634 -0.712 . . . . 72.44 109.625 172.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.95 167.35 27.11 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.279 -0.962 . . . . 13.43 113.234 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.635 HG22 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -61.26 149.72 81.88 Favored Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 123.338 0.655 . . . . 74.51 110.697 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.635 ' HD2' HG22 ' A' ' 30' ' ' THR . 50.4 Cg_exo -55.74 -17.57 18.4 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.79 2.327 . . . . 71.23 114.036 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' HA ' ' HB2' ' A' ' 90' ' ' LYS . 27.5 mp0 -94.41 -11.52 29.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.932 0.396 . . . . 71.51 111.264 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -143.26 94.69 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.686 0.755 . . . . 75.14 109.689 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.6 m -97.26 108.89 21.72 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.731 -0.668 . . . . 60.23 111.437 -171.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -83.67 116.43 27.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.235 -0.654 . . . . 71.3 109.235 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 25' ' ' PRO . 95.6 mt -117.32 143.21 46.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.074 -0.512 . . . . 61.24 110.107 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.725 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -173.07 -179.01 43.47 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.162 -1.018 . . . . 40.44 112.578 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.726 ' HG3' HD23 ' A' ' 39' ' ' LEU . 6.4 tpt180 -152.75 153.91 34.16 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.228 -0.656 . . . . 74.22 109.228 178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.726 HD23 ' HG3' ' A' ' 38' ' ' ARG . 1.7 pt? -62.99 122.65 16.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.017 0.437 . . . . 75.34 110.506 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -145.41 140.01 27.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.967 -0.56 . . . . 73.03 110.444 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.492 ' OG ' ' HB3' ' A' ' 4' ' ' LEU . 8.9 m -98.78 103.1 15.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.064 -0.517 . . . . 74.24 110.23 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -149.31 -49.13 0.14 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.703 0.287 . . . . 51.43 110.344 -179.46 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.638 ' HA2' ' HB1' ' A' ' 82' ' ' ALA . . . 93.73 40.27 4.73 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.297 -0.954 . . . . 73.22 110.901 -173.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.54 ' HB2' HD12 ' A' ' 42' ' ' LEU . 44.9 t60 -131.67 85.75 50.99 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.282 -0.459 . . . . 75.24 110.086 -174.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -96.19 94.4 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.107 2.538 . . . . 51.41 112.243 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 46' ' ' ARG . 11.5 mmt180 -110.29 -169.69 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.078 0.466 . . . . 73.24 110.573 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.401 ' O ' HG23 ' A' ' 47' ' ' ILE . 6.1 tt -121.45 88.3 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-O 121.765 0.793 . . . . 63.11 109.747 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.45 61.16 4.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.768 -0.73 . . . . 32.22 112.601 -176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.3 tp -68.24 109.02 3.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.094 0.473 . . . . 72.11 110.374 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.409 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 19.9 m -100.26 98.69 9.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.929 -0.578 . . . . 71.45 110.312 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.9 m -103.26 93.02 2.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 74.44 111.425 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 55' ' ' ASN . . . -70.32 134.93 48.41 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.98 -0.555 . . . . 70.43 110.363 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.448 ' HB3' ' HD3' ' A' ' 58' ' ' ARG . 56.6 pttt -78.45 7.73 6.19 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.256 0.465 . . . . 73.34 112.256 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -91.68 -24.7 19.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.213 0.53 . . . . 72.41 110.091 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 4.9 p-10 -116.99 -26.62 6.81 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.939 -0.573 . . . . 73.45 110.598 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 ' H ' ' A' ' 58' ' ' ARG . 18.4 t -98.08 136.67 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.47 -0.937 . . . . 70.05 108.47 171.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.548 ' HB2' ' CD ' ' A' ' 61' ' ' GLU . 73.7 mtp180 -66.51 -14.44 62.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.698 0.285 . . . . 74.2 111.263 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.459 ' H ' HG12 ' A' ' 56' ' ' VAL . 16.5 tpt180 74.13 25.06 1.85 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.669 -0.696 . . . . 61.15 111.552 169.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -120.91 -88.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.555 -0.458 . . . . 72.34 111.983 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 60.5 m80 -106.46 -20.64 13.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.391 0.615 . . . . 73.54 110.691 -172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.75 ' H ' ' CD ' ' A' ' 61' ' ' GLU . 3.8 mp0 -58.91 -45.95 89.07 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.02 -0.991 . . . . 53.2 110.441 -176.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -20.26 65.9 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.684 -0.689 . . . . 74.43 110.887 -176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.599 ' HA ' ' HE3' ' A' ' 66' ' ' LYS . 56.0 t30 -70.46 -40.45 73.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.438 -0.346 . . . . 54.42 110.162 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.432 ' HD3' HH11 ' A' ' 64' ' ' ARG . 17.9 ttm180 -70.83 -40.42 72.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.187 0.518 . . . . 73.32 109.889 177.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 61' ' ' GLU . 45.7 mm -60.98 -42.8 94.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.639 -0.71 . . . . 71.5 111.108 -178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.599 ' HE3' ' HA ' ' A' ' 63' ' ' ASN . 22.7 pttp -79.29 5.0 13.46 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.634 -0.257 . . . . 54.23 111.303 -178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.2 mtp85 -103.58 -42.46 5.66 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.78 0.324 . . . . 75.24 110.533 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 68' ' ' LEU . 2.2 tm? -65.3 -49.68 68.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.92 -0.582 . . . . 72.24 109.737 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 22.8 p -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.896 -0.593 . . . . 64.1 110.824 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 29.1 ttt180 -48.04 -52.62 19.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.44 -0.8 . . . . 64.24 111.418 177.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -66.25 -48.43 70.53 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.961 -0.563 . . . . 72.12 110.88 -177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.5 p -69.25 -24.66 64.01 Favored 'General case' 0 C--N 1.323 -0.543 0 N-CA-C 112.518 0.562 . . . . 73.35 112.518 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -96.15 -15.54 22.04 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.553 0.575 . . . . 75.25 112.553 -178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.7 ' HA ' ' HE ' ' A' ' 74' ' ' ARG . 1.4 mmp_? -104.88 -32.67 8.68 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.394 -0.522 . . . . 72.33 112.076 -178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.3 mm? -80.42 -12.18 59.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.959 0.409 . . . . 74.33 110.9 179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.669 ' HB3' ' HB2' ' A' ' 79' ' ' GLU . 82.8 mtm180 -115.53 82.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.286 -0.416 . . . . 75.23 109.986 175.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.527 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.9 OUTLIER -93.75 10.11 34.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.52 -0.309 . . . . 71.23 111.645 -175.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -127.91 9.46 6.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.742 0.782 . . . . 74.23 109.202 173.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.669 ' HB2' ' HB3' ' A' ' 76' ' ' ARG . 19.8 tp10 -81.71 -27.6 33.83 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.149 -0.932 . . . . 72.12 110.049 -179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.3 pt? -136.15 154.85 77.65 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.626 -0.716 . . . . 70.12 109.794 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.428 ' HB2' ' HG3' ' A' ' 83' ' ' MET . 16.5 Cg_exo -68.66 179.65 2.99 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.633 2.222 . . . . 75.21 111.74 175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.638 ' HB1' ' HA2' ' A' ' 43' ' ' GLY . . . -80.08 44.31 0.66 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.338 0.59 . . . . 45.23 111.188 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.6 ' SD ' ' HA ' ' A' ' 39' ' ' LEU . 56.0 mtt -108.08 166.16 10.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.454 -0.794 . . . . 75.41 109.525 -179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.717 ' HB3' ' HG2' ' A' ' 17' ' ' GLN . 22.5 t70 -111.48 126.92 55.47 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.787 -0.449 . . . . 73.02 109.787 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.725 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 97.2 m-85 -122.44 139.71 53.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.797 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.4 m -98.21 123.76 50.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.443 0.64 . . . . 74.44 110.118 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 41.7 t -100.97 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 115.776 -0.647 . . . . 73.22 109.726 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.409 ' HA ' ' HB ' ' A' ' 50' ' ' THR . 38.7 t -88.49 116.22 29.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 116.108 -0.496 . . . . 73.54 110.921 -175.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.587 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -73.32 133.74 43.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.785 -0.643 . . . . 74.43 109.881 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HB2' ' HA ' ' A' ' 32' ' ' GLN . 75.4 mmtt -111.83 177.77 4.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.087 0.47 . . . . 73.24 111.19 -176.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 55.1 tptt -66.14 115.0 5.68 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.772 -0.649 . . . . 65.12 110.777 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 126.89 -24.98 5.36 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.767 -0.73 . . . . 70.33 112.459 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.587 HG11 ' HB1' ' A' ' 89' ' ' ALA . 9.8 p -71.27 -20.57 21.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.043 0.449 . . . . 71.34 111.468 -175.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.02 3.1 47.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.141 0.496 . . . . 42.21 110.796 179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -148.9 87.28 1.54 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 75.23 109.675 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.8 mt -129.69 165.1 22.52 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.912 -0.585 . . . . 55.4 110.122 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 100' ' ' ALA . 29.6 t70 -70.45 140.46 51.97 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.485 -0.561 . . . . 75.53 109.485 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -64.91 -27.29 68.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.136 0.493 . . . . 61.04 111.096 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.453 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 1.4 ttp180 -86.1 -21.75 27.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.931 -0.577 . . . . 73.11 110.765 179.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 97' ' ' ASP . . . -71.75 -5.19 32.24 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.615 0.598 . . . . 61.3 112.615 -173.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 102' ' ' SER . 4.3 pp -68.22 -24.8 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 74.21 110.204 177.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.429 ' N ' HD12 ' A' ' 101' ' ' LEU . 16.2 m -72.78 -22.07 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.877 -0.601 . . . . 71.32 110.429 177.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.72 -46.5 15.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 54.1 109.758 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.83 -34.65 74.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 73.14 110.748 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.1 -37.29 87.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 61.42 111.38 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.607 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -72.29 -31.21 65.52 Favored 'General case' 0 C--N 1.334 -0.094 0 C-N-CA 120.707 -0.397 . . . . 75.51 110.225 -177.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.607 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 20.6 mmmt -69.94 -37.48 75.87 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.844 -0.798 . . . . 75.11 108.844 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.652 ' HG ' HH22 ' A' ' 76' ' ' ARG . 44.5 tp -77.89 4.04 12.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.13 -0.941 . . . . 72.3 110.703 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -116.02 -63.11 1.5 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.989 -0.55 . . . . 71.23 109.995 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -64.15 -51.91 61.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 64.24 111.972 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 9.2 tpm_? -72.5 -22.93 60.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.003 0.43 . . . . 72.34 110.38 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.45 ' CE1' ' HG3' ' A' ' 79' ' ' GLU . 58.1 t-80 -77.83 -48.66 15.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.902 -0.59 . . . . 74.11 110.784 -178.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 31.2 t -62.05 -37.94 86.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.192 0.52 . . . . 74.01 110.27 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -84.69 6.59 23.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.986 -0.552 . . . . 73.33 111.066 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.428 HD22 ' HB2' ' A' ' 28' ' ' ALA . 46.2 tp -95.01 -33.09 12.85 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.056 0.455 . . . . 75.11 110.049 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -73.86 -26.74 60.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.709 -0.678 . . . . 74.12 110.565 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -83.25 94.78 7.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.909 -0.587 . . . . 70.24 109.654 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 145.6 -1.23 0.96 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.671 -0.776 . . . . 54.5 112.617 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.748 -0.644 . . . . 62.31 110.138 177.104 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 111.554 0.205 . . . . 73.01 111.554 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.05 100.66 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 109.557 -0.535 . . . . 73.42 109.557 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -151.32 -73.55 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.964 -0.562 . . . . 75.33 109.966 -173.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -99.26 -33.12 10.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.716 -0.674 . . . . 73.24 109.492 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.81 154.11 17.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.593 -0.731 . . . . 65.21 109.939 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -117.98 128.62 25.88 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-N 116.298 -0.41 . . . . 74.53 111.02 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.8 161.26 18.81 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 123.132 2.555 . . . . 63.43 112.21 177.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.586 ' HD2' ' O ' ' A' ' 8' ' ' ARG . 0.4 OUTLIER -77.8 92.44 4.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.978 0.895 . . . . 64.42 110.226 178.085 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -152.18 -63.18 0.17 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.421 -0.808 . . . . 75.43 110.463 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.5 tt -57.98 -53.93 52.62 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.709 -0.849 . . . . 62.13 108.709 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' HA ' ' HD2' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -176.74 149.92 0.79 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.972 -1.013 . . . . 74.04 108.478 170.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.1 tp -91.82 99.72 12.54 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.524 -0.547 . . . . 75.34 109.524 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.611 HD23 HG22 ' A' ' 19' ' ' THR . 5.2 mp -71.49 135.38 47.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.564 -0.744 . . . . 62.02 110.411 -177.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.7 p -70.76 146.03 92.89 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.753 -0.658 . . . . 70.31 111.397 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.09 96.56 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.927 2.418 . . . . 55.2 112.445 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 39.3 t -163.44 143.18 8.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.082 -1.081 . . . . 75.45 108.082 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' A' ' 17' ' ' GLN . 11.1 mm-40 -65.94 -31.9 73.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.577 0.227 . . . . 74.12 111.237 -175.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -66.23 -28.29 68.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.221 0.534 . . . . 74.31 110.38 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.611 HG22 HD23 ' A' ' 13' ' ' LEU . 1.4 m -93.8 -29.88 15.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.542 -0.754 . . . . 64.33 110.384 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -70.14 -35.79 74.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.706 -0.679 . . . . 75.12 110.745 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.832 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 10.6 p -76.63 -23.24 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 43.12 110.619 178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -70.53 -21.12 62.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.252 0.548 . . . . 72.42 110.56 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' HG3' HD22 ' A' ' 13' ' ' LEU . 75.4 mt-30 -63.99 -62.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.703 -0.681 . . . . 74.33 111.722 -179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -159.79 89.26 1.91 Allowed Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 73.24 110.114 -177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -97.75 148.98 0.81 Allowed 'Trans proline' 0 N--CA 1.451 -1.003 0 C-N-CA 123.367 2.711 . . . . 70.43 113.232 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.409 ' HB3' HD21 ' A' ' 115' ' ' LEU . 87.2 mm-40 -88.29 97.31 10.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.819 -0.808 . . . . 55.3 108.819 171.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.763 ' HE ' HG23 ' A' ' 34' ' ' THR . 2.6 tmt_? -82.52 116.62 22.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.692 -0.686 . . . . 70.44 110.642 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.43 129.44 31.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.711 -0.677 . . . . 60.24 109.774 175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 155.65 -164.06 31.96 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.437 -0.887 . . . . 74.21 112.412 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 46.2 p -123.63 176.23 2.33 Favored Pre-proline 0 C--N 1.319 -0.723 0 N-CA-C 110.071 -0.344 . . . . 73.31 110.071 -176.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_exo -62.94 -14.35 40.7 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.482 2.121 . . . . 52.33 112.398 174.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -87.64 -41.65 13.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.874 0.368 . . . . 73.53 110.399 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.8 tt -143.18 127.15 14.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.083 0.468 . . . . 71.21 110.951 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.763 HG23 ' HE ' ' A' ' 27' ' ' ARG . 52.1 m -117.33 121.48 41.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.011 0.434 . . . . 44.51 111.353 -177.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.516 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 60.4 mt -104.45 118.78 52.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.044 -0.525 . . . . 60.53 110.134 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.643 ' HB2' HG13 ' A' ' 86' ' ' VAL . 89.2 mt -101.28 105.69 16.8 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.345 -0.389 . . . . 72.13 110.36 179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -99.87 103.54 2.69 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.475 -0.869 . . . . 53.35 112.169 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.832 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 2.0 tmt_? -91.43 136.5 33.07 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.132 -0.692 . . . . 64.35 109.132 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.529 HD13 ' HG2' ' A' ' 83' ' ' MET . 3.3 mm? -66.35 87.9 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.394 -0.366 . . . . 73.3 110.191 176.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.793 ' HB3' ' HB2' ' A' ' 84' ' ' ASP . 36.5 t30 -125.44 115.94 21.06 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.228 -0.656 . . . . 73.41 109.228 177.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.0 t -80.39 86.08 5.78 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.315 0.579 . . . . 74.12 110.484 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD22 ' HD2' ' A' ' 46' ' ' ARG . 36.4 tp -94.93 -11.96 27.66 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.635 -0.711 . . . . 72.32 109.726 175.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.35 -27.85 15.46 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.734 -0.666 . . . . 74.12 112.199 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -133.49 148.7 69.85 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.565 -0.531 . . . . 65.55 109.565 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.415 ' HG2' ' HB2' ' A' ' 77' ' ' GLN . 31.6 Cg_exo -62.46 110.13 1.01 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.728 2.285 . . . . 75.21 111.689 177.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.551 ' HD2' HD22 ' A' ' 42' ' ' LEU . 45.2 ttt180 -95.41 134.47 38.19 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.855 -0.611 . . . . 64.13 110.356 -176.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 tt -121.59 127.52 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.223 0.535 . . . . 74.4 110.676 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.02 127.68 4.66 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.275 -0.73 . . . . 71.14 111.275 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 66' ' ' LYS . 33.8 tp -100.54 121.41 41.54 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 117.223 0.512 . . . . 74.14 110.654 -177.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.0 m -119.8 100.91 7.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.045 -0.525 . . . . 75.32 110.124 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.459 HG23 ' HG ' ' A' ' 49' ' ' LEU . 50.9 t -129.04 127.99 66.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.157 -0.474 . . . . 61.3 110.473 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.76 160.59 19.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.345 -0.389 . . . . 51.12 110.423 176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -73.14 -11.15 60.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.335 0.588 . . . . 74.13 110.43 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' O ' ' HE2' ' A' ' 91' ' ' LYS . 35.1 mmtp -81.19 -22.91 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.852 -0.613 . . . . 73.24 110.263 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -82.66 -55.58 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.707 -0.678 . . . . 63.41 109.63 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.61 HG11 ' HB2' ' A' ' 62' ' ' ARG . 61.9 t -109.52 109.73 29.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.373 -0.83 . . . . 34.24 109.509 176.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -73.57 2.1 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.601 -0.727 . . . . 71.1 111.854 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' H ' HG12 ' A' ' 56' ' ' VAL . 4.1 mmp_? -123.96 175.05 7.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.912 0.387 . . . . 74.24 110.981 -175.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.69 -46.8 2.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.16 -0.473 . . . . 70.31 110.747 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -67.04 -45.83 76.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 71.53 110.191 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 19.3 mp0 -59.74 -35.9 75.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.581 -0.736 . . . . 74.35 110.318 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.61 ' HB2' HG11 ' A' ' 56' ' ' VAL . 2.6 ttp180 -70.1 -29.71 66.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.632 -0.713 . . . . 74.21 111.094 -178.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -60.29 -38.7 84.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.666 -0.243 . . . . 72.3 110.832 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.4 mtm180 -75.82 -17.96 59.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.657 -0.247 . . . . 73.44 111.16 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 47.0 mm -63.89 -43.68 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.828 0.347 . . . . 71.55 110.515 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HB3' HD22 ' A' ' 49' ' ' LEU . 23.5 pttm -78.79 -17.66 55.39 Favored 'General case' 0 C--O 1.224 -0.238 0 C-N-CA 120.634 -0.426 . . . . 73.22 110.223 178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 67' ' ' ARG . 2.4 mmp_? -71.75 -41.13 68.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.208 0.528 . . . . 75.14 109.972 176.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 68' ' ' LEU . 3.1 tm? -66.78 -36.61 82.82 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 62.31 110.414 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.407 HG21 HG11 ' A' ' 87' ' ' VAL . 4.1 p -86.87 -40.72 14.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.728 0.64 . . . . 72.14 112.728 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -72.28 -36.47 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.786 -0.366 . . . . 73.15 111.03 -174.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.35 -15.64 59.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.337 -0.392 . . . . 71.3 111.683 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.457 ' HB3' HD11 ' A' ' 105' ' ' LEU . 19.3 p -95.26 -45.39 7.18 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.772 -0.371 . . . . 63.42 111.321 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 20.9 m-85 -59.83 -48.97 79.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.887 0.375 . . . . 72.31 111.193 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.6 mtp85 -86.94 23.8 1.66 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.003 0.43 . . . . 72.05 111.509 -176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.9 tt -122.85 -15.42 7.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.562 0.696 . . . . 71.21 109.513 172.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.438 ' HD3' ' OE1' ' A' ' 79' ' ' GLU . 12.8 tpp180 -118.99 26.9 9.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.609 -0.723 . . . . 72.04 109.893 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' HB2' ' HG2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -76.59 9.46 2.73 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.746 -0.661 . . . . 72.31 112.014 -174.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -95.28 -49.47 5.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.831 -0.433 . . . . 74.52 109.831 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.438 ' OE1' ' HD3' ' A' ' 76' ' ' ARG . 29.5 mp0 -84.12 2.22 40.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.882 -0.599 . . . . 73.13 110.524 178.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 52.0 tp -117.16 121.95 31.78 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.784 -0.644 . . . . 51.02 109.951 179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.6 ' HB2' ' SD ' ' A' ' 83' ' ' MET . 22.3 Cg_exo -65.92 168.24 15.87 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 123.039 2.493 . . . . 65.45 112.24 175.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.76 97.97 11.5 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.123 -0.489 . . . . 74.24 112.133 -173.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 81' ' ' PRO . 4.3 mpp? -133.6 -174.0 3.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.493 176.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.793 ' HB2' ' HB3' ' A' ' 40' ' ' ASN . 3.8 t0 -103.71 118.16 36.06 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.942 -0.762 . . . . 74.51 108.942 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -117.48 109.07 16.29 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.003 0.43 . . . . 72.23 111.324 -174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.643 HG13 ' HB2' ' A' ' 36' ' ' LEU . 4.8 p -95.84 115.68 35.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.668 0.746 . . . . 64.04 109.668 173.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.442 HG22 HG23 ' A' ' 35' ' ' ILE . 44.8 t -98.12 119.38 46.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.516 -0.766 . . . . 65.32 110.318 -176.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.74 103.95 16.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.897 -0.592 . . . . 73.31 110.232 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.541 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -74.29 132.89 42.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.436 -0.579 . . . . 61.33 109.436 176.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.623 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -94.48 -171.91 2.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.81 0.338 . . . . 64.11 110.713 -175.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 54' ' ' LYS . 39.2 ttmt -80.4 130.49 35.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.167 -0.469 . . . . 75.01 110.985 -174.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.56 -9.99 55.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.655 -0.783 . . . . 72.23 112.995 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.541 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.8 p -63.59 -24.03 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 120.94 0.4 . . . . 60.22 111.388 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 1.86 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.963 0.411 . . . . 71.0 111.757 -176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -108.18 17.01 22.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.044 0.45 . . . . 61.32 110.448 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 pp -64.54 156.65 29.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.084 -0.507 . . . . 73.4 111.734 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.46 157.93 26.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.703 -0.68 . . . . 73.1 110.108 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -60.94 -26.44 67.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 64.1 110.87 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -90.57 -32.57 16.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 72.21 110.677 178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.54 -29.39 69.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.737 -0.665 . . . . 63.21 112.184 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.439 ' O ' ' HB2' ' A' ' 105' ' ' LEU . 4.1 pp -64.2 -22.72 67.05 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.584 0.23 . . . . 70.54 111.491 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.6 t -94.2 -37.98 11.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.194 0.521 . . . . 43.42 109.885 177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 15.8 mm-40 -62.38 -42.4 99.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.472 -0.785 . . . . 60.44 111.28 -179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.37 -21.66 35.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.332 -0.395 . . . . 75.03 111.398 -178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 72' ' ' SER . 45.2 tp -65.6 -45.18 84.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.192 -0.458 . . . . 73.4 111.077 -177.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.46 -29.29 68.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 61.5 110.873 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 32.2 mmmt -66.23 -42.4 88.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.039 -0.528 . . . . 74.44 110.129 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 112' ' ' HIS . 99.1 mt -59.68 -52.53 65.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.661 -0.699 . . . . 52.33 110.7 179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 12.6 m0 -57.37 -54.41 47.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.963 0.411 . . . . 72.21 111.459 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -58.71 -47.14 85.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.409 -0.814 . . . . 75.14 111.747 -171.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -77.77 -37.33 49.23 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.77 -0.372 . . . . 73.42 111.357 -177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.5 t-80 -67.95 -28.16 67.22 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.628 0.251 . . . . 73.21 110.57 -176.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.558 ' O ' ' HG2' ' A' ' 117' ' ' ARG . 42.1 t -68.56 -49.11 61.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 73.3 110.277 177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -58.56 -41.2 85.11 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.911 0.386 . . . . 74.21 110.903 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.409 HD21 ' HB3' ' A' ' 26' ' ' GLN . 50.4 tp -62.66 -31.82 72.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 74.1 110.863 179.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -84.99 -9.98 57.5 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 74.43 111.204 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.558 ' HG2' ' O ' ' A' ' 113' ' ' CYS . 11.2 mmm180 -94.82 6.17 49.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 73.02 110.26 177.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 66.45 40.19 94.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.07 -0.586 . . . . 54.44 111.978 -178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.255 -0.879 . . . . 72.41 110.236 -178.685 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.805 0.336 . . . . 64.21 110.323 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -106.4 108.05 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.53 0.681 . . . . 63.4 110.069 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -94.74 72.05 3.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.027 -0.533 . . . . 74.3 110.226 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 56.91 73.49 0.45 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.199 -0.909 . . . . 55.31 111.599 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -107.1 103.18 12.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.796 -0.638 . . . . 65.2 110.152 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -99.87 154.4 37.27 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.921 -0.582 . . . . 70.42 110.351 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' A' ' 11' ' ' ARG . 18.8 Cg_exo -67.33 164.29 31.16 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.517 2.145 . . . . 71.12 111.922 176.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -60.02 -33.26 71.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 50.13 111.321 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.57 -34.64 76.16 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.875 -0.602 . . . . 72.31 111.282 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.7 tp -90.53 -9.65 46.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.489 -0.323 . . . . 71.12 111.589 -173.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 7' ' ' PRO . 59.7 mtt-85 -84.2 80.99 9.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.224 0.535 . . . . 74.22 111.259 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -111.09 108.7 18.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.639 -0.71 . . . . 75.51 109.323 175.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.856 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -82.32 94.39 7.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.532 0.682 . . . . 74.0 111.002 -177.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 56.2 m -100.25 105.77 38.02 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.373 -0.831 . . . . 72.24 110.367 176.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 14' ' ' THR . 17.9 Cg_endo -60.98 -26.42 83.15 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.571 2.181 . . . . 72.03 112.491 178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.7 m -79.9 88.6 5.29 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.557 -0.535 . . . . 63.53 109.557 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -59.75 -37.06 77.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.661 -0.7 . . . . 71.32 112.067 -172.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -65.03 -37.54 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.024 0.44 . . . . 75.22 110.73 -177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -72.0 -14.22 61.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.955 -0.566 . . . . 45.33 110.578 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.426 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 74.5 t80 -99.22 -49.68 4.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.242 -0.436 . . . . 54.51 111.022 -177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.442 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 33.4 m -70.48 -23.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 112.051 0.389 . . . . 75.5 112.051 -175.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -81.61 -9.78 59.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 74.23 111.138 -176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 78.5 mt-30 -64.25 -65.8 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.8 0.333 . . . . 43.43 111.1 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.486 ' O ' ' HD2' ' A' ' 38' ' ' ARG . 49.0 mt-30 -127.42 77.93 75.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.537 -0.301 . . . . 63.1 110.555 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.432 ' HB2' HD12 ' A' ' 36' ' ' LEU . 93.2 Cg_endo -96.27 165.58 1.21 Allowed 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 123.184 2.589 . . . . 72.42 113.083 -178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -101.39 125.7 48.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.026 -0.534 . . . . 71.14 110.01 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -72.26 103.7 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.774 -0.648 . . . . 74.35 110.488 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -112.15 177.06 4.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.246 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.747 ' HA2' ' HG ' ' A' ' 108' ' ' LEU . . . 78.39 -131.22 10.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.599 -0.81 . . . . 70.3 111.888 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.586 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 39.8 p -132.65 169.53 13.7 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 110.29 -0.263 . . . . 74.31 110.29 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.586 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 36.9 Cg_endo -67.78 -6.55 17.12 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.258 1.972 . . . . 60.34 112.118 171.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -92.87 -52.17 4.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.173 0.511 . . . . 65.31 109.624 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.9 tt -124.01 103.25 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.746 -0.661 . . . . 74.43 109.474 176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.8 m -97.41 130.11 44.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 75.52 111.23 -173.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.428 HD11 HD23 ' A' ' 108' ' ' LEU . 65.5 mt -107.69 122.66 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.019 -0.537 . . . . 71.34 109.971 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD12 ' HB2' ' A' ' 25' ' ' PRO . 2.8 mm? -110.54 117.47 33.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.006 -0.368 . . . . 54.54 110.006 178.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.678 ' HA3' ' HD1' ' A' ' 85' ' ' PHE . . . -128.57 143.18 14.22 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.075 -1.06 . . . . 70.01 112.831 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.594 ' HE ' ' HA ' ' A' ' 38' ' ' ARG . 3.2 mmp_? -132.52 -177.07 4.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.28 -0.267 . . . . 41.22 110.28 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.86 98.4 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.326 -0.397 . . . . 72.54 110.038 -177.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.505 ' HB3' ' HA ' ' A' ' 83' ' ' MET . 24.6 t-20 -78.56 118.04 20.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.065 -0.516 . . . . 75.02 110.197 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -93.67 1.69 56.53 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.855 0.359 . . . . 70.35 111.41 -178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.87 -33.01 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.412 . . . . 71.31 110.514 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.59 11.65 82.78 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.912 -0.661 . . . . 71.34 112.289 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -149.01 102.67 3.37 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.849 0.357 . . . . 73.12 110.066 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HD3' ' HB1' ' A' ' 82' ' ' ALA . 90.1 Cg_endo -84.87 158.58 11.83 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.703 2.269 . . . . 71.13 113.572 -175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -129.41 105.72 8.29 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.648 -0.871 . . . . 72.11 108.648 171.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.478 HD12 ' HG2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -81.61 123.38 37.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.618 0.723 . . . . 51.03 110.576 -173.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.15 154.72 22.07 Favored Glycine 0 N--CA 1.444 -0.813 0 CA-C-N 115.461 -0.791 . . . . 73.44 111.731 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.7 tp -105.79 117.15 33.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.844 0.354 . . . . 62.21 110.521 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -92.66 95.18 9.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.26 -0.427 . . . . 73.22 109.981 177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 89' ' ' ALA . 7.4 p -136.6 129.5 45.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.905 -0.589 . . . . 72.23 109.427 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.14 163.3 25.17 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.232 -0.285 . . . . 63.12 110.232 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.82 -43.26 76.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.258 -0.428 . . . . 54.41 111.748 -172.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -103.22 16.33 26.87 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.182 0.438 . . . . 65.44 112.182 -172.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 91' ' ' LYS . 10.0 m120 -79.87 -23.7 41.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 75.34 109.874 174.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 t -91.0 137.75 21.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.693 -0.685 . . . . 74.02 109.708 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.8 -38.62 46.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.277 0.56 . . . . 74.23 110.059 -178.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.537 ' NE ' ' HA ' ' A' ' 58' ' ' ARG . 4.6 mmp_? -114.67 114.58 25.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.183 -0.673 . . . . 74.43 109.183 174.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -42.65 -58.27 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.661 0.985 . . . . 75.24 113.661 -168.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -65.26 -8.81 19.5 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.69 0.996 . . . . 72.14 113.69 -171.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -74.61 -6.57 49.36 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.701 0.63 . . . . 54.34 112.701 -175.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.447 ' HD3' ' H ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -69.34 -27.0 64.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.115 -0.634 . . . . 72.15 109.551 176.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -76.58 -20.66 56.57 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.04 -0.527 . . . . 71.43 109.915 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -71.64 -52.01 20.19 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.635 -0.711 . . . . 72.22 109.435 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.7 mm -66.5 -43.14 91.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.139 -0.937 . . . . 74.15 111.833 -175.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -70.41 -29.21 65.76 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.874 -0.33 . . . . 43.55 111.385 -175.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.0 mtp180 -76.44 -33.39 58.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.818 -0.353 . . . . 74.41 110.915 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.22 -45.0 78.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.275 0.56 . . . . 72.02 109.835 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.4 p -77.94 -56.99 4.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.74 -0.663 . . . . 71.15 112.43 -176.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.478 ' HG2' HD12 ' A' ' 47' ' ' ILE . 42.4 mtp180 -65.74 -22.3 66.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.509 0.559 . . . . 73.14 112.509 -170.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -79.88 -44.51 20.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.971 0.415 . . . . 72.32 110.515 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.8 m -60.38 -34.23 73.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.748 -0.66 . . . . 64.53 111.997 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.417 ' CD1' HG13 ' A' ' 47' ' ' ILE . 21.7 m-85 -64.3 -23.84 67.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.474 -0.33 . . . . 72.2 111.81 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 74' ' ' ARG . 42.3 mtp180 -106.4 14.67 27.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.366 0.603 . . . . 74.22 110.293 179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tt -114.49 -49.8 2.82 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.722 -0.672 . . . . 70.21 109.518 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 76' ' ' ARG . 0.3 OUTLIER -97.71 38.07 1.32 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.735 -0.666 . . . . 73.45 109.557 -178.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.2 -14.57 62.69 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.966 0.728 . . . . 63.13 112.966 -168.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -80.33 -27.83 38.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.128 0.49 . . . . 74.44 110.794 -178.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' CG ' ' HG3' ' A' ' 76' ' ' ARG . 4.7 mm-40 -87.0 -22.61 25.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.679 -0.691 . . . . 74.53 111.861 -168.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.2 pt? -116.99 152.6 48.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.698 -0.401 . . . . 63.04 110.606 -177.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.16 151.04 60.67 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.612 2.208 . . . . 71.04 111.602 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB1' ' HD3' ' A' ' 45' ' ' PRO . . . -75.44 78.8 2.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.262 0.553 . . . . 63.33 110.936 179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.505 ' HA ' ' HB3' ' A' ' 40' ' ' ASN . 65.3 mtt -130.07 153.35 48.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.526 -0.761 . . . . 73.0 109.251 178.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.2 106.1 17.67 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.928 0.871 . . . . 41.34 110.805 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.678 ' HD1' ' HA3' ' A' ' 37' ' ' GLY . 80.5 m-85 -101.38 100.06 10.49 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.997 -1.002 . . . . 74.43 109.006 175.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.94 124.68 33.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.465 0.65 . . . . 71.0 110.494 -177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.1 t -94.38 120.93 44.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.62 -0.718 . . . . 75.33 110.07 -178.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 52.6 t -113.12 119.95 61.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.251 -0.431 . . . . 72.23 109.899 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB3' ' HB ' ' A' ' 51' ' ' VAL . . . -92.72 128.06 38.44 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.124 -0.489 . . . . 62.01 110.579 -177.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.591 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.8 mmpt? -91.81 156.31 17.61 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.52 -0.548 . . . . 63.13 109.52 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 14.6 ptmm? -65.06 136.21 56.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 72.25 110.438 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.93 -9.56 40.06 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.617 -0.802 . . . . 72.3 112.257 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 13.1 p -63.2 -23.52 33.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-O 121.198 0.523 . . . . 64.01 110.812 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.77 9.74 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.055 -0.52 . . . . 61.31 111.357 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -103.98 13.2 33.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.737 0.779 . . . . 65.43 109.897 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -88.38 154.5 20.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.734 -0.666 . . . . 71.2 110.664 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.563 ' OD2' ' HB3' ' A' ' 99' ' ' ARG . 5.1 t70 -71.16 143.74 50.44 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.099 -0.501 . . . . 75.2 110.209 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -59.31 -41.01 88.04 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 71.0 111.063 -177.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.563 ' HB3' ' OD2' ' A' ' 97' ' ' ASP . 20.7 ttp180 -66.48 -42.54 87.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 74.32 110.181 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -21.97 66.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.69 -0.686 . . . . 73.31 111.995 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 97.4 mt -60.61 -45.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.925 0.393 . . . . 73.21 110.651 177.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.0 t -69.42 -32.43 71.41 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.118 0.485 . . . . 55.2 110.148 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -72.43 -21.38 61.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 43.32 110.605 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.15 -29.02 25.12 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.123 -0.489 . . . . 64.01 110.564 178.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.11 -45.71 86.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.922 -0.581 . . . . 70.41 109.989 -179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.554 ' HG3' ' N ' ' A' ' 107' ' ' LYS . 3.1 pt-20 -61.93 -38.33 88.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 65.35 110.671 -179.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.554 ' N ' ' HG3' ' A' ' 106' ' ' GLU . 13.7 mmmm -64.15 -44.53 91.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.372 -178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.747 ' HG ' ' HA2' ' A' ' 29' ' ' GLY . 11.0 mp -64.72 -40.01 94.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.832 -0.622 . . . . 74.43 110.552 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -67.45 -48.82 66.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.558 -0.292 . . . . 72.41 111.213 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -57.47 -43.81 84.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.979 0.418 . . . . 73.15 110.374 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -62.54 -44.32 96.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.737 -0.665 . . . . 74.34 110.142 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -68.82 -39.75 79.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.475 -0.784 . . . . 73.54 111.672 -176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 53.8 t -65.57 -47.46 75.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.762 0.315 . . . . 65.05 110.84 -177.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -61.45 -39.43 90.82 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.26 -0.427 . . . . 62.11 110.717 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 45.7 tp -67.33 -36.34 81.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.815 -0.629 . . . . 42.3 110.737 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.92 -15.0 62.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.396 . . . . 72.04 111.428 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -88.89 1.31 55.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 72.4 110.607 176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -69.59 -68.53 1.61 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 121.109 -0.567 . . . . 64.14 112.241 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.252 1.185 0 C-N-CA 123.317 0.647 . . . . 53.4 111.684 -178.75 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.485 1.275 0 CA-C-O 120.703 0.287 . . . . 75.21 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 m -74.09 134.02 30.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.219 0.533 . . . . 73.41 110.54 178.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -92.16 115.76 28.35 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.554 -0.748 . . . . 74.25 109.166 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD21 ' HG ' ' A' ' 39' ' ' LEU . 16.7 tp -81.63 47.06 1.02 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.584 0.707 . . . . 71.4 110.525 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -165.98 142.14 5.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.857 -1.065 . . . . 72.33 109.053 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 0.8 OUTLIER -63.78 119.09 51.51 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 123.237 0.336 . . . . 63.53 111.034 179.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 20.3 Cg_exo -66.22 165.51 24.17 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.859 2.373 . . . . 72.51 112.565 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -68.62 93.57 0.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.491 -0.777 . . . . 70.51 109.969 179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -160.11 -82.83 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.531 -0.759 . . . . 63.42 109.896 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.69 -31.07 24.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.32 0.581 . . . . 72.1 109.984 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -126.56 161.88 26.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.704 -0.68 . . . . 74.12 109.81 -177.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' A' ' 12' ' ' LEU . 2.3 pp -101.92 154.48 18.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.429 -0.35 . . . . 72.24 111.227 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.3 mt -99.03 111.21 23.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.083 0.468 . . . . 73.44 111.372 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.8 p -126.16 129.42 24.23 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.77 -0.65 . . . . 74.21 109.79 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.48 34.81 0.44 Allowed 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 123.141 2.56 . . . . 65.14 113.111 -176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -92.38 106.72 18.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.097 -0.335 . . . . 72.32 110.097 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 84' ' ' ASP . 21.0 tt0 -52.3 -53.38 44.9 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.906 -0.588 . . . . 71.12 111.048 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -59.63 -39.67 85.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.741 -0.663 . . . . 64.14 111.392 -175.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.1 m -73.43 -25.69 60.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.066 0.46 . . . . 53.11 110.972 -178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -85.82 -39.27 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 72.01 110.934 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.485 HG22 ' HB3' ' A' ' 25' ' ' PRO . 9.8 p -76.62 -27.12 16.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.309 -0.405 . . . . 61.52 110.917 -177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -65.29 -23.93 67.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.93 0.395 . . . . 74.02 111.006 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -67.15 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.913 -0.585 . . . . 62.35 111.262 -177.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -144.47 90.18 6.63 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.592 -0.276 . . . . 63.04 111.199 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.485 ' HB3' HG22 ' A' ' 21' ' ' VAL . 59.7 Cg_endo -95.98 165.42 1.32 Allowed 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.061 2.507 . . . . 72.14 111.913 174.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 4.1 pt20 -86.05 106.8 17.46 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.235 -0.654 . . . . 64.25 109.235 173.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -81.76 90.76 6.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.176 0.512 . . . . 71.03 109.774 -177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.529 ' HB1' ' HG3' ' A' ' 111' ' ' ARG . . . -130.08 106.64 8.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.822 -0.626 . . . . 71.24 110.094 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 162.0 -160.9 32.95 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.846 -0.902 . . . . 55.41 110.846 -176.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.9 p -108.62 167.49 9.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.863 0.332 . . . . 54.51 110.171 -178.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.451 ' O ' ' HD2' ' A' ' 90' ' ' LYS . 14.7 Cg_exo -69.99 -9.81 26.91 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.636 2.224 . . . . 74.0 111.852 175.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -89.33 -48.8 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.008 -0.542 . . . . 73.05 109.726 178.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tt -125.63 102.91 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.686 0.755 . . . . 64.4 109.724 175.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.0 m -99.28 110.06 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.541 -0.754 . . . . 63.02 110.926 -175.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.404 HD13 ' HZ ' ' A' ' 73' ' ' PHE . 49.8 mt -92.48 109.62 21.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 75.15 110.292 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.3 mt -109.93 107.17 16.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.171 -0.468 . . . . 73.45 110.367 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.416 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -121.26 150.38 17.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.43 -0.89 . . . . 71.13 112.491 -179.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -144.07 130.59 20.0 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.035 0.445 . . . . 70.33 110.415 178.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.74 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.2 pt? -72.87 135.59 45.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.966 -0.561 . . . . 62.43 110.77 178.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -140.21 161.82 36.75 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.301 -0.629 . . . . 74.32 109.301 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -60.31 -29.84 69.11 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 111.727 0.269 . . . . 63.32 111.727 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -65.4 -65.01 0.73 Allowed 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.737 -0.468 . . . . 74.31 109.737 175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.498 ' HA2' ' HA ' ' A' ' 83' ' ' MET . . . 59.73 54.58 36.39 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.574 -0.739 . . . . 43.15 113.205 174.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.418 ' HB3' HH21 ' A' ' 46' ' ' ARG . 2.5 m-70 -125.13 83.49 60.55 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.007 -0.738 . . . . 74.2 109.007 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 44' ' ' HIS . 1.3 Cg_endo -41.59 95.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.724 3.616 . . . . 72.21 114.781 -166.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' HB3' HE22 ' A' ' 17' ' ' GLN . 0.0 OUTLIER -94.1 86.27 4.94 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.169 -1.048 . . . . 75.54 108.169 172.274 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.2 tt -59.64 99.52 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-O 121.845 0.831 . . . . 64.23 111.434 -174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.07 74.71 1.81 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.491 -0.777 . . . . 62.22 112.488 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 66' ' ' LYS . 66.9 tp -76.22 115.56 16.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.925 0.393 . . . . 64.41 110.052 177.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 61.2 m -92.85 111.02 22.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.079 -0.509 . . . . 71.02 110.484 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -141.45 139.23 32.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.887 -0.597 . . . . 55.13 110.162 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -137.68 -173.84 3.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.397 -0.365 . . . . 74.33 110.264 -179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -95.43 1.14 54.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.008 0.433 . . . . 74.1 110.854 -178.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -91.49 -20.68 21.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.126 -0.488 . . . . 73.13 110.331 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.8 p-10 -110.18 -29.43 8.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.895 -0.593 . . . . 71.34 110.009 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' O ' ' HA ' ' A' ' 53' ' ' LYS . 61.5 t -126.3 94.07 2.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.802 -0.635 . . . . 64.42 109.698 175.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 60.3 ttt180 -85.97 38.88 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.651 0.738 . . . . 75.22 109.614 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.654 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 21.9 mmt180 -137.75 134.04 34.82 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.519 -0.764 . . . . 72.2 111.007 -174.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -74.57 -50.77 16.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.112 -0.495 . . . . 70.14 111.548 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -49.87 51.56 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.369 0.604 . . . . 73.21 110.045 -176.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.654 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 16.0 mp0 -59.03 -35.13 72.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.933 -1.03 . . . . 72.54 111.263 -175.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 62' ' ' ARG . 11.8 ttm180 -59.55 -45.73 90.95 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.221 0.534 . . . . 74.51 110.167 176.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -70.59 -32.3 69.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.612 -0.722 . . . . 75.33 111.184 -177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.416 ' NH2' ' HA ' ' A' ' 97' ' ' ASP . 25.8 mtm180 -60.87 -41.61 96.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.727 0.299 . . . . 72.41 110.259 177.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.9 mm -65.15 -43.12 95.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 74.3 110.383 178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.554 ' HG2' HD23 ' A' ' 49' ' ' LEU . 58.7 mtpt -65.16 -40.55 94.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 64.03 110.887 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 63.9 mtp180 -66.25 -50.1 64.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 64.52 111.241 178.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.482 ' HG ' ' HB2' ' A' ' 101' ' ' LEU . 3.2 tm? -56.57 -48.8 76.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 75.41 111.083 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 20.4 p -68.91 -54.17 16.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.487 -0.324 . . . . 72.02 111.241 -177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -59.61 -31.69 69.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.059 -0.518 . . . . 72.22 111.859 -176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -81.14 -21.95 39.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.8 0.333 . . . . 75.54 111.294 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.2 m -98.68 -44.68 6.33 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.009 0.374 . . . . 61.22 112.009 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.404 ' HZ ' HD13 ' A' ' 35' ' ' ILE . 40.6 m-85 -59.84 -37.34 78.98 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.872 0.368 . . . . 73.44 111.643 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -71.45 -32.54 68.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.004 0.43 . . . . 73.44 111.41 -177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -87.9 1.82 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.459 0.54 . . . . 71.12 112.459 -172.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.457 HH21 ' CD ' ' A' ' 79' ' ' GLU . 23.7 mmm180 -114.15 21.75 14.46 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.512 -0.551 . . . . 70.44 109.512 176.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.734 ' HA ' HE21 ' A' ' 77' ' ' GLN . 0.0 OUTLIER -61.95 -21.18 64.58 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.174 -0.921 . . . . 73.42 112.171 -175.566 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -76.36 -45.31 32.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.847 0.356 . . . . 61.1 111.126 -178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' CD ' HH21 ' A' ' 76' ' ' ARG . 13.4 pt-20 -89.09 -33.97 16.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.292 -0.413 . . . . 64.11 110.885 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 81' ' ' PRO . 46.3 tp -95.21 111.2 54.12 Favored Pre-proline 0 N--CA 1.448 -0.532 0 N-CA-C 109.011 -0.737 . . . . 52.24 109.011 175.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.427 ' HD2' HD12 ' A' ' 80' ' ' LEU . 10.0 Cg_endo -52.64 137.53 58.78 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.081 2.521 . . . . 75.23 112.412 -176.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.81 104.84 0.21 Allowed 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.787 -0.642 . . . . 53.32 110.668 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.498 ' HA ' ' HA2' ' A' ' 43' ' ' GLY . 26.0 ptt? -147.89 168.62 21.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.751 -0.659 . . . . 52.33 109.431 -179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.566 ' HB3' ' HG3' ' A' ' 17' ' ' GLN . 3.3 m-20 -96.67 141.53 29.8 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.01 0.433 . . . . 64.13 110.527 -178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -153.06 148.41 26.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.972 -0.558 . . . . 72.1 111.64 -173.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.89 133.69 59.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.273 -0.876 . . . . 71.51 109.439 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.7 t -110.52 108.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.86 -0.422 . . . . 73.12 109.86 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 43.5 t -93.34 104.3 15.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 74.42 110.691 -177.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.501 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -94.53 125.85 39.44 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.28 -0.637 . . . . 73.3 109.28 175.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.451 ' HD2' ' O ' ' A' ' 31' ' ' PRO . 85.7 mttt -101.98 -161.92 0.89 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.914 0.387 . . . . 70.13 111.635 -174.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -78.85 113.28 16.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 71.31 110.84 -173.684 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 123.24 -10.68 8.7 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.621 -0.799 . . . . 72.23 112.791 177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.501 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.9 p -61.5 -22.69 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 121.087 0.47 . . . . 71.1 111.593 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.9 -6.47 49.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.331 -0.395 . . . . 63.31 111.463 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -76.81 -16.02 59.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.118 0.485 . . . . 72.25 110.469 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 87.6 mt -76.32 114.29 14.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.884 -0.598 . . . . 75.03 110.215 177.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.416 ' HA ' ' NH2' ' A' ' 64' ' ' ARG . 53.4 m-20 -97.13 -169.31 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.063 -0.517 . . . . 73.34 111.14 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -47.45 -46.4 26.65 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.661 0.785 . . . . 64.03 113.093 -172.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 -84.95 -37.5 20.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.012 0.434 . . . . 75.23 110.602 -176.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.99 -42.12 98.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.722 -0.672 . . . . 64.21 111.415 -176.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.482 ' HB2' ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -67.69 -19.89 65.22 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.639 -0.255 . . . . 70.32 111.485 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 37.4 m -80.9 -42.93 20.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 72.22 110.289 178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -74.98 -23.08 58.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.959 -0.564 . . . . 72.23 111.063 -178.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.25 -30.28 30.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.903 0.382 . . . . 64.55 110.687 175.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 108' ' ' LEU . 3.2 tm? -63.49 -47.83 80.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.761 -0.654 . . . . 72.44 110.298 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.51 -26.36 66.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.507 -177.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -68.45 -60.12 2.66 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.187 0.517 . . . . 64.31 110.109 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.531 HD11 HD22 ' A' ' 105' ' ' LEU . 4.2 pp -67.95 -29.67 68.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.786 -0.643 . . . . 70.42 110.86 -176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -59.83 -60.52 3.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 71.43 110.51 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -68.3 -25.75 65.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.563 -0.289 . . . . 75.12 111.552 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.529 ' HG3' ' HB1' ' A' ' 28' ' ' ALA . 21.2 tpp180 -62.76 -38.36 90.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.517 -0.31 . . . . 74.41 110.465 175.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.6 m-70 -85.43 -34.7 21.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.598 0.237 . . . . 64.42 110.685 178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 39.3 t -62.82 -34.1 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 71.44 110.989 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 114' ' ' ARG . 15.5 mmt180 -98.59 17.05 20.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 71.41 111.245 177.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 54.1 tp -117.81 -32.2 4.89 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.214 0.531 . . . . 71.31 110.128 176.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.21 -2.86 26.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.897 -0.592 . . . . 61.54 111.72 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -95.86 -1.65 49.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.927 0.394 . . . . 70.2 110.423 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -131.39 70.43 0.52 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.08 -0.581 . . . . 43.15 111.795 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.76 -0.638 . . . . 74.23 110.587 -178.103 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 mmt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.08 -0.341 . . . . 63.02 110.08 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.84 115.91 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.495 -0.321 . . . . 74.5 111.0 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -75.94 74.47 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.567 0.698 . . . . 53.24 110.452 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tt -168.01 -69.28 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.263 -1.014 . . . . 72.12 108.263 -176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 179.12 94.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.519 -1.219 . . . . 33.11 108.563 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.468 ' O ' ' HG2' ' A' ' 9' ' ' GLU . 27.9 p90 -84.06 115.38 59.76 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 121.23 0.538 . . . . 72.41 110.625 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.556 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 42.2 Cg_endo -68.57 -1.46 7.52 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.953 2.435 . . . . 63.34 112.503 -176.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.3 mtp85 -62.65 -26.7 68.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.937 -0.574 . . . . 63.31 110.939 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.529 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 10.3 pt-20 -65.78 -25.7 67.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.961 0.41 . . . . 73.12 110.866 178.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' HG ' ' HG3' ' A' ' 9' ' ' GLU . 86.6 mt -108.8 9.2 26.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.042 -0.526 . . . . 55.54 110.132 178.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' O ' ' HD2' ' A' ' 11' ' ' ARG . 0.1 OUTLIER 61.52 30.12 18.62 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.648 -0.705 . . . . 74.33 110.479 -178.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 7' ' ' PRO . 87.2 mt -102.23 157.14 17.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 74.02 110.579 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 7.8 mp -117.02 -167.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.076 -0.511 . . . . 73.13 109.782 178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -86.77 109.62 25.74 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-O 120.584 0.23 . . . . 60.34 110.451 178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 13' ' ' LEU . 96.2 Cg_endo -84.23 -161.37 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 122.797 2.331 . . . . 75.4 111.627 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -66.09 116.72 7.49 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.848 -0.427 . . . . 74.24 109.848 176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -56.01 -37.53 69.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 73.21 112.041 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -65.05 -45.46 85.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.899 0.381 . . . . 71.43 110.371 -179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -69.63 -23.39 63.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.095 0.474 . . . . 64.35 110.618 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -78.17 -46.24 21.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.605 179.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.51 HG12 ' HB3' ' A' ' 38' ' ' ARG . 31.4 m -75.18 -24.14 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.486 -0.324 . . . . 53.22 111.286 -177.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 t80 -73.78 -15.53 61.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.429 -0.35 . . . . 74.01 110.986 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -59.62 -54.45 46.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.967 0.413 . . . . 74.31 110.206 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -163.13 96.13 1.08 Allowed Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.825 -0.625 . . . . 74.11 109.609 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.488 ' HG2' HD22 ' A' ' 36' ' ' LEU . 87.8 Cg_endo -94.71 178.42 0.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.339 2.692 . . . . 53.33 112.556 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -91.95 98.52 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.983 -0.553 . . . . 62.53 109.591 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 27' ' ' ARG . 0.1 OUTLIER -74.48 102.71 4.57 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.689 -0.486 . . . . 73.43 109.689 -178.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -138.64 110.3 7.1 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.474 -0.33 . . . . 51.52 110.786 178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 151.05 -170.43 30.77 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 111.233 -0.747 . . . . 72.13 111.233 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.538 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 44.5 p -92.96 171.58 7.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 117.151 0.475 . . . . 42.22 110.245 179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.538 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 47.0 Cg_exo -57.95 -45.11 34.49 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.585 2.19 . . . . 71.4 112.564 176.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.3 mp0 -60.26 -48.51 81.44 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.468 -0.333 . . . . 70.01 111.297 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tt -114.13 98.68 7.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.895 0.855 . . . . 74.12 110.457 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.2 m -98.53 97.47 8.77 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 72.25 111.017 -175.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.416 ' H ' HD12 ' A' ' 35' ' ' ILE . 4.8 mp -83.36 116.21 27.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.762 -0.458 . . . . 64.01 109.762 178.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD22 ' HG2' ' A' ' 25' ' ' PRO . 90.4 mt -114.65 133.6 55.73 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.297 -0.41 . . . . 62.25 110.59 -179.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -154.18 145.59 12.98 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.856 -0.688 . . . . 61.54 111.81 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' HB3' HG12 ' A' ' 21' ' ' VAL . 35.8 ttt85 -142.09 139.6 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.599 -0.519 . . . . 74.33 109.599 178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.8 tp -63.56 111.84 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.033 -175.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -142.95 168.43 19.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.35 -0.841 . . . . 74.32 109.044 -178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.3 t -70.9 84.97 0.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.127 0.489 . . . . 75.43 110.156 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' ' 83' ' ' MET . 82.3 mt -122.08 -65.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.958 -0.564 . . . . 71.3 109.845 179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.15 30.12 74.84 Favored Glycine 0 C--N 1.332 0.332 0 CA-C-N 115.941 -0.572 . . . . 63.2 113.178 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.441 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 38.3 m80 -134.36 121.37 15.31 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.949 -0.389 . . . . 75.32 109.949 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 6.8 Cg_exo -72.48 97.44 0.87 Allowed 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.789 2.326 . . . . 55.15 111.381 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -146.09 133.26 20.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.071 -0.513 . . . . 72.45 110.417 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 tt -84.99 117.19 29.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.931 -0.577 . . . . 73.32 110.268 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.69 54.26 4.36 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.06 -0.59 . . . . 72.41 111.912 -179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.559 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 63.5 tp -62.28 112.95 2.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.995 0.426 . . . . 40.12 110.68 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 37.3 m -108.81 91.31 3.59 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.348 0.594 . . . . 72.44 110.293 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.439 ' HA ' ' ND2' ' A' ' 55' ' ' ASN . 3.1 p -111.08 102.46 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 74.42 110.074 178.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.21 174.23 7.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.851 -0.613 . . . . 61.03 111.403 -175.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -57.25 -28.45 62.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.567 -0.742 . . . . 72.21 111.951 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HB2' ' HE3' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -94.24 2.59 55.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.824 0.345 . . . . 64.52 111.543 -175.325 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.468 HD22 ' HB3' ' A' ' 89' ' ' ALA . 3.8 m-20 -84.85 -48.23 9.56 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.297 0.57 . . . . 63.24 109.627 178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 62' ' ' ARG . 38.8 t -132.47 116.82 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.526 -0.761 . . . . 75.32 109.679 177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -63.99 -35.74 81.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.928 0.394 . . . . 65.52 110.557 -179.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -73.09 113.31 9.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.081 -0.508 . . . . 70.32 109.933 176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -63.87 -32.86 74.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.041 0.448 . . . . 62.24 111.228 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -66.87 -37.46 84.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.156 0.503 . . . . 71.31 110.601 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -85.51 -18.66 32.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.998 -0.546 . . . . 75.43 112.015 -172.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 5.8 ptp180 -73.47 -13.97 61.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.275 0.56 . . . . 75.4 109.733 175.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -93.79 -27.44 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.67 -0.696 . . . . 60.22 109.366 173.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -59.15 -43.93 92.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.324 -0.853 . . . . 75.52 110.813 174.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.2 mm -57.91 -33.76 46.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 CA-C-N 115.943 -0.571 . . . . 62.54 110.837 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 59.8 mttp -66.89 -45.72 77.14 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.017 -0.538 . . . . 64.14 110.748 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.1 mtm180 -70.04 -19.68 63.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 74.33 111.374 -175.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 101' ' ' LEU . 3.0 tm? -85.13 -58.51 2.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 73.34 110.541 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.9 p -67.63 -31.3 71.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.454 . . . . 74.01 112.021 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -71.83 -18.16 62.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.994 -177.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -68.57 -37.34 79.79 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.022 0.439 . . . . 74.12 110.937 -178.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.437 ' OG ' HD11 ' A' ' 105' ' ' LEU . 4.3 m -79.0 -58.88 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.901 -0.59 . . . . 64.12 111.895 -174.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -62.36 -27.58 69.16 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.24 0.459 . . . . 73.14 112.24 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 74' ' ' ARG . 20.6 ttt180 -76.56 -25.83 54.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.878 0.371 . . . . 74.21 111.285 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 75' ' ' LEU . 2.0 tm? -95.28 -39.28 10.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.95 0.405 . . . . 63.4 110.331 -177.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -95.67 44.53 1.08 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.337 0.589 . . . . 74.11 110.002 -177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -4.79 56.65 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.878 0.696 . . . . 71.0 112.878 -168.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -110.2 -18.02 13.4 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.594 0.59 . . . . 74.32 112.594 -177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' HA ' HH21 ' A' ' 117' ' ' ARG . 41.9 tt0 -72.7 -44.73 61.38 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.653 -0.419 . . . . 74.24 110.073 177.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.2 pp -92.68 154.86 42.28 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.707 -0.679 . . . . 62.3 110.376 178.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 17.4 Cg_exo -67.68 147.61 76.21 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.801 2.334 . . . . 70.03 112.397 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.05 95.79 0.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 70.41 111.054 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.463 ' HG3' HD12 ' A' ' 42' ' ' LEU . 41.4 ttm -147.2 154.88 41.59 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 71.01 109.843 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.48 92.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.866 -0.42 . . . . 72.11 109.866 171.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -74.97 94.71 2.88 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.619 -0.511 . . . . 73.45 109.619 176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 45.0 t -72.19 101.64 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.261 0.553 . . . . 74.13 110.452 -177.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.559 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 58.0 t -86.86 98.0 6.79 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.663 -0.699 . . . . 73.53 110.1 179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.1 t -88.27 102.14 12.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.754 -0.657 . . . . 73.21 109.807 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.468 ' HB3' HD22 ' A' ' 55' ' ' ASN . . . -84.36 149.34 26.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.836 -0.62 . . . . 70.4 110.375 179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.629 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 mmpt? -109.53 174.79 5.7 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.589 -0.523 . . . . 63.14 109.589 175.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -76.35 104.54 6.93 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.994 -0.743 . . . . 63.42 108.994 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.75 -5.1 1.09 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.673 -0.775 . . . . 61.14 112.308 -176.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 17.3 m -66.08 -19.08 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 71.42 111.482 177.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.9 3.7 55.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.126 0.489 . . . . 73.44 110.781 178.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -87.11 -16.96 33.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.86 -0.609 . . . . 74.3 110.092 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.01 139.13 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.504 -0.771 . . . . 75.53 111.045 -178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -70.58 161.43 30.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.757 -0.656 . . . . 73.25 110.718 177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -56.08 -43.11 77.7 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.315 -0.402 . . . . 71.34 111.745 -176.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -82.41 -23.43 34.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.175 0.512 . . . . 75.33 110.714 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.1 -40.44 71.51 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.193 -0.458 . . . . 74.43 110.914 178.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD13 ' HG ' ' A' ' 68' ' ' LEU . 4.0 pp -72.25 -29.42 63.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.538 -0.301 . . . . 70.4 111.201 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.484 ' N ' HD12 ' A' ' 101' ' ' LEU . 74.5 p -75.63 -25.91 57.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.081 0.467 . . . . 63.21 110.15 176.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -69.6 -52.54 25.1 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.869 -0.605 . . . . 75.35 109.563 174.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -59.17 -30.71 68.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.23 -0.441 . . . . 75.03 110.877 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 108' ' ' LEU . 7.2 tt -54.57 -52.5 61.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.426 -0.806 . . . . 65.42 110.912 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.554 ' HG3' ' HD2' ' A' ' 107' ' ' LYS . 0.1 OUTLIER -69.08 -26.6 65.02 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.702 -0.399 . . . . 45.22 111.037 -176.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.554 ' HD2' ' HG3' ' A' ' 106' ' ' GLU . 21.7 mmmt -66.41 -43.35 86.02 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.864 -0.421 . . . . 63.52 109.864 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 105' ' ' LEU . 4.3 pp -78.24 -29.68 48.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 70.31 110.525 179.177 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -62.26 -56.62 16.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.618 -0.265 . . . . 74.12 110.539 177.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -61.3 -30.96 70.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.075 0.464 . . . . 72.32 110.579 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -66.08 -43.83 86.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.818 -0.628 . . . . 74.05 110.326 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.78 -40.8 83.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.482 -0.326 . . . . 74.0 110.798 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.7 -48.92 76.63 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.469 0.481 . . . . 65.2 111.395 -177.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -71.52 -36.28 71.0 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.522 -0.308 . . . . 75.32 111.263 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.12 -47.7 34.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.596 -0.274 . . . . 72.42 110.717 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.27 95.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.171 0.51 . . . . 63.13 111.069 -176.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.447 HH21 ' HA ' ' A' ' 79' ' ' GLU . 77.4 mtt180 -95.65 83.93 3.85 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.503 0.668 . . . . 65.33 109.491 176.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 156.45 -24.12 0.51 Allowed Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.031 -0.986 . . . . 70.32 110.904 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.1 t . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.632 -0.699 . . . . 61.12 110.151 175.785 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.6 mtm . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.565 0.222 . . . . 72.4 110.435 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.7 m -124.11 95.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.334 0.588 . . . . 71.14 110.295 178.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.705 ' HE3' ' HA ' ' A' ' 3' ' ' LYS . 1.2 tpmt? -162.22 128.38 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 64.35 110.682 -175.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD11 ' HG ' ' A' ' 39' ' ' LEU . 27.3 tp 76.38 -57.85 0.54 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.952 0.783 . . . . 72.25 111.617 171.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -84.03 149.04 26.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.014 0.435 . . . . 74.3 110.947 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.465 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 99.0 m-85 -97.9 165.46 15.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.744 -0.662 . . . . 74.32 109.752 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 6' ' ' PHE . 87.9 Cg_exo -48.16 144.12 13.21 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.746 2.297 . . . . 74.12 113.06 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.793 ' HB3' HD11 ' A' ' 13' ' ' LEU . 62.1 mtt85 -79.15 7.49 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.756 -0.656 . . . . 64.43 110.715 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.44 -18.35 23.35 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.719 -0.673 . . . . 63.44 110.304 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -89.98 -61.25 1.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.909 -0.587 . . . . 60.11 109.874 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.0 ttt-85 -90.24 127.66 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 71.11 110.661 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.45 141.14 58.88 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 116.227 -0.442 . . . . 70.32 110.17 175.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.793 HD11 ' HB3' ' A' ' 8' ' ' ARG . 6.9 mp -79.02 86.63 4.86 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.335 0.588 . . . . 71.41 109.936 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -133.93 143.07 45.88 Favored Pre-proline 0 C--O 1.241 0.633 0 CA-C-N 115.472 -0.786 . . . . 71.31 110.148 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -73.63 86.8 1.16 Allowed 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.65 2.234 . . . . 70.01 112.166 177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m -147.54 121.57 9.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.617 -0.719 . . . . 72.43 109.945 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' HG22 ' A' ' 21' ' ' VAL . 79.5 mt-30 -66.28 -47.84 72.34 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.692 0.62 . . . . 64.11 111.026 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -55.63 -43.92 76.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.737 -0.665 . . . . 64.14 110.856 -176.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -76.09 12.73 1.06 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.205 -0.452 . . . . 73.22 111.763 -177.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.48 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 52.3 t80 -130.36 -47.57 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 122.079 -0.388 . . . . 63.41 111.09 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.441 HG22 ' O ' ' A' ' 17' ' ' GLN . 36.0 m -79.95 -23.16 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.674 0.273 . . . . 74.21 111.617 -177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -79.14 -7.43 58.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 73.42 110.667 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.48 ' NE2' ' HA ' ' A' ' 20' ' ' PHE . 73.9 mt-30 -60.77 -44.53 96.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 54.44 109.91 175.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.85 81.52 14.61 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 115.385 -0.825 . . . . 73.34 109.446 175.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HB2' HD22 ' A' ' 36' ' ' LEU . 52.0 Cg_endo -88.9 110.55 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 122.656 2.237 . . . . 65.22 112.439 -178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.7 140.87 41.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.242 -0.435 . . . . 74.34 110.015 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.2 mmm180 -79.54 97.57 6.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.18 -0.464 . . . . 65.42 111.201 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -121.81 145.44 48.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.864 -0.607 . . . . 74.51 110.595 177.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.14 169.74 43.55 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.944 -0.645 . . . . 73.35 112.691 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.499 HG22 ' HD2' ' A' ' 31' ' ' PRO . 0.2 OUTLIER -60.43 141.75 91.24 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 122.527 0.331 . . . . 74.11 110.331 178.315 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.499 ' HD2' HG22 ' A' ' 30' ' ' THR . 51.0 Cg_exo -54.73 -31.6 72.31 Favored 'Trans proline' 0 N--CA 1.476 0.459 0 C-N-CA 122.789 2.326 . . . . 54.24 112.839 -179.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -66.85 -20.26 65.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.051 -0.522 . . . . 72.14 111.381 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.6 tt -140.63 93.33 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.995 0.903 . . . . 74.42 109.436 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.3 m -86.43 102.22 13.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.534 -0.757 . . . . 73.34 111.588 -171.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.5 HG13 HG13 ' A' ' 87' ' ' VAL . 4.5 mp -79.7 101.55 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.373 -0.602 . . . . 75.43 109.373 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.741 ' HB2' HG13 ' A' ' 86' ' ' VAL . 98.7 mt -82.17 102.85 11.36 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.383 -0.599 . . . . 74.52 109.383 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.22 144.69 15.8 Favored Glycine 0 N--CA 1.438 -1.167 0 C-N-CA 120.488 -0.863 . . . . 54.4 112.893 -176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 59.6 ttt180 -150.55 138.9 20.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.926 -0.768 . . . . 75.44 108.926 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.6 pt? -61.9 130.25 44.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.883 0.373 . . . . 75.25 110.111 177.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 29.0 p30 -134.32 -174.42 3.55 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 54.11 110.345 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -107.6 15.08 25.09 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.89 0.376 . . . . 74.13 110.946 -179.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 86.9 mt -88.26 -59.64 2.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 73.43 110.054 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 62.93 61.91 5.98 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.211 -0.519 . . . . 74.11 113.149 174.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' O ' ' HB3' ' A' ' 84' ' ' ASP . 33.7 m80 -137.11 140.78 32.25 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 122.672 -0.31 . . . . 74.45 110.589 177.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 44' ' ' HIS . 10.8 Cg_exo -72.9 40.59 0.5 Allowed 'Trans proline' 0 CA--C 1.534 0.494 0 C-N-CA 123.177 2.585 . . . . 73.13 112.91 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -90.9 86.66 6.36 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.576 -0.527 . . . . 65.24 109.576 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.56 HD11 ' HB ' ' A' ' 69' ' ' THR . 4.2 tt -71.85 116.71 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.383 -0.826 . . . . 74.44 111.098 -176.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.69 109.99 3.73 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.677 -0.773 . . . . 65.3 112.044 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.428 ' HG ' HG23 ' A' ' 51' ' ' VAL . 58.1 tp -99.96 130.86 46.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.833 0.349 . . . . 71.42 110.578 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.411 ' HB ' ' HA ' ' A' ' 88' ' ' VAL . 24.8 m -110.52 106.92 16.39 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.099 -0.501 . . . . 62.51 110.898 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.428 HG23 ' HG ' ' A' ' 49' ' ' LEU . 95.6 t -133.45 124.79 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.481 -0.563 . . . . 70.31 109.481 178.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.509 ' H ' ' HB2' ' A' ' 55' ' ' ASN . . . -131.89 -170.97 2.5 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.639 -0.255 . . . . 72.14 111.346 -176.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -55.24 -49.77 71.17 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.922 0.764 . . . . 73.23 112.278 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.4 ptpp? -84.55 -5.86 59.33 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.898 -0.321 . . . . 50.15 111.22 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.509 ' HB2' ' H ' ' A' ' 52' ' ' ALA . 1.6 m-20 -84.95 -57.55 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.294 -0.632 . . . . 53.12 109.294 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.687 ' HB ' ' HG2' ' A' ' 62' ' ' ARG . 42.6 t -133.88 116.99 24.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 108.923 -0.769 . . . . 74.12 108.923 176.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -82.49 -25.67 33.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.255 -0.429 . . . . 75.41 111.908 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -103.1 136.66 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.393 . . . . 72.31 111.052 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.63 -46.06 89.98 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.715 -0.675 . . . . 62.53 112.736 -171.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -60.3 -35.18 74.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 74.4 111.217 -177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.567 ' O ' HG12 ' A' ' 65' ' ' ILE . 10.6 mm-40 -76.36 -26.21 55.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.231 -0.44 . . . . 73.42 110.904 -177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.687 ' HG2' ' HB ' ' A' ' 56' ' ' VAL . 20.5 mtm180 -65.69 -38.66 89.87 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.141 -0.688 . . . . 72.12 109.141 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.4 -30.84 65.02 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.281 -0.872 . . . . 73.23 110.48 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -66.68 -36.07 81.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 73.42 109.908 176.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.567 HG12 ' O ' ' A' ' 61' ' ' GLU . 49.3 mm -67.4 -31.82 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 71.14 110.262 176.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HG2' HD23 ' A' ' 49' ' ' LEU . 94.1 mttt -67.1 -12.46 60.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.967 -0.56 . . . . 71.32 111.041 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 71' ' ' GLU . 60.9 mtp180 -96.12 -46.22 6.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.347 . . . . 71.22 110.461 175.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -45.56 -44.71 13.06 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.65 0.594 . . . . 62.41 110.917 -177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.56 ' HB ' HD11 ' A' ' 47' ' ' ILE . 18.8 p -85.33 -58.18 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.958 -0.564 . . . . 72.15 111.934 -178.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 51.8 ttp85 -62.66 -26.84 68.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 74.03 112.583 -172.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 2.1 tp10 -74.4 -37.63 63.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.053 0.454 . . . . 71.33 110.284 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.8 p -91.78 -45.63 8.31 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.338 0.495 . . . . 61.3 112.338 -171.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -57.78 -36.54 72.31 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.332 0.493 . . . . 74.43 112.332 -175.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' NH1' ' HA ' ' A' ' 71' ' ' GLU . 17.8 ptt-85 -82.0 -23.26 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.795 -0.362 . . . . 73.43 111.034 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.0 tp -92.59 4.34 53.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.333 0.587 . . . . 74.12 110.848 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.509 ' HD3' ' CD1' ' A' ' 109' ' ' TRP . 94.2 mtt180 -126.4 26.59 6.35 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.985 -0.552 . . . . 60.34 109.971 -178.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -59.49 -26.51 65.34 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 113.35 0.87 . . . . 71.24 113.35 -172.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -91.48 1.02 57.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.23 0.538 . . . . 75.13 110.911 -177.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG2' ' HZ2' ' A' ' 109' ' ' TRP . 7.4 tp10 -132.31 27.72 4.43 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.515 -0.92 . . . . 71.44 108.515 176.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 38.8 tp -136.42 124.81 15.13 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.806 -1.088 . . . . 65.14 109.923 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.19 121.36 9.87 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.101 1.867 . . . . 72.45 110.727 173.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' HE3' ' A' ' 83' ' ' MET . . . -68.41 83.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.139 0.495 . . . . 72.22 111.296 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.445 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 1.6 mmt -140.76 150.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.654 -0.869 . . . . 74.43 108.654 177.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.525 ' HB3' ' O ' ' A' ' 44' ' ' HIS . 5.4 p-10 -93.54 134.06 36.2 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.951 0.405 . . . . 74.42 110.333 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 83' ' ' MET . 30.3 m-85 -126.98 163.9 22.67 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.942 -0.572 . . . . 61.01 110.918 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.741 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.0 p -114.42 112.56 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.543 0.687 . . . . 72.01 109.564 173.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.5 HG13 HG13 ' A' ' 35' ' ' ILE . 40.6 t -96.8 112.62 29.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.855 -0.611 . . . . 75.11 110.825 -175.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.411 ' HA ' ' HB ' ' A' ' 50' ' ' THR . 39.5 t -100.57 103.32 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.999 0.428 . . . . 74.23 110.345 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.18 125.32 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.038 -0.528 . . . . 73.41 109.781 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' O ' HG12 ' A' ' 93' ' ' VAL . 14.7 mmmm -100.19 169.22 9.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.79 0.329 . . . . 65.0 110.579 -175.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -68.37 110.76 4.26 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 121.381 0.61 . . . . 74.22 109.779 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.522 ' O ' ' HG ' ' A' ' 96' ' ' LEU . . . 149.66 -43.75 0.75 Allowed Glycine 0 N--CA 1.442 -0.953 0 N-CA-C 110.765 -0.934 . . . . 45.22 110.765 -176.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 90' ' ' LYS . 13.5 p -66.75 -21.56 28.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-O 121.515 0.674 . . . . 62.11 110.31 178.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.92 -17.95 41.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.67 -0.696 . . . . 62.43 110.728 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.37 75.35 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.399 0.619 . . . . 74.31 110.291 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 92' ' ' GLY . 85.5 mt -142.23 158.73 43.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.212 -0.904 . . . . 71.55 109.647 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -63.9 149.72 46.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.102 -0.499 . . . . 75.2 110.346 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -61.25 -32.6 72.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.713 0.768 . . . . 73.33 109.161 175.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -63.6 -36.21 83.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.614 -1.175 . . . . 73.14 110.417 175.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -76.84 -25.21 52.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 50.31 111.1 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 105' ' ' LEU . 91.0 mt -60.37 -38.2 83.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.89 0.376 . . . . 74.22 110.045 176.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.1 t -64.97 -37.15 86.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.84 -0.618 . . . . 62.32 110.328 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 26.1 mm-40 -66.78 -45.77 77.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.05 -0.523 . . . . 34.14 110.609 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.37 -31.13 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.942 -0.572 . . . . 64.24 111.748 -178.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 101' ' ' LEU . 93.8 mt -59.02 -38.98 80.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.16 -0.473 . . . . 61.12 112.098 -178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.44 -26.28 23.35 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.755 -0.378 . . . . 73.51 111.653 -176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.559 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 31.1 mmmt -61.89 -40.5 95.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.943 0.401 . . . . 74.23 110.884 -176.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 pp -84.37 5.51 26.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 75.31 111.351 -179.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.509 ' CD1' ' HD3' ' A' ' 76' ' ' ARG . 28.0 t90 -114.44 -47.02 2.94 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.248 -0.433 . . . . 74.21 111.272 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -57.71 -56.7 18.57 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.76 0.314 . . . . 72.12 110.481 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -59.56 -27.95 66.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.964 -0.562 . . . . 71.32 110.715 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -70.2 -55.22 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.235 -0.438 . . . . 73.52 111.107 -174.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.18 -40.18 62.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 71.45 110.724 -178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -60.66 -39.73 89.44 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.473 -0.33 . . . . 75.23 110.886 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.9 -42.49 90.13 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.771 0.32 . . . . 44.42 110.198 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.79 -39.19 93.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.009 -0.541 . . . . 24.24 111.338 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -80.48 -35.37 34.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.046 -0.525 . . . . 62.34 111.468 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 155.99 108.6 0.29 Allowed Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.236 -0.983 . . . . 60.34 113.04 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 66.0 m . . . . . 0 C--O 1.248 1.001 0 N-CA-C 109.181 -0.674 . . . . 63.42 109.181 174.317 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.271 -0.27 . . . . 74.45 110.271 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.92 126.79 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.497 . . . . 53.55 110.555 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.558 ' HG3' ' H ' ' A' ' 4' ' ' LEU . 11.4 tppt? -160.35 -179.46 7.72 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.274 -0.639 . . . . 64.44 109.274 -178.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.558 ' H ' ' HG3' ' A' ' 3' ' ' LYS . 1.3 tm? -79.97 118.46 21.73 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.811 -0.44 . . . . 71.42 109.811 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.21 126.74 38.48 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 63.34 110.221 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -148.97 152.67 37.16 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.448 -0.342 . . . . 53.25 110.86 -176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.0 143.79 81.52 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.782 2.322 . . . . 60.14 111.48 174.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.3 mmt-85 -74.52 -13.08 60.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.612 -0.267 . . . . 75.23 111.58 -173.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -80.54 11.02 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.742 0.306 . . . . 61.42 110.962 178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 10' ' ' LEU . 1.1 tm? -64.84 -15.28 61.63 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.387 0.613 . . . . 64.4 109.785 177.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -61.63 -24.81 66.96 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.667 -0.697 . . . . 72.3 110.874 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -99.14 103.48 15.38 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.611 -0.515 . . . . 73.15 109.611 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 mp -90.01 110.95 21.9 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.102 -0.499 . . . . 75.34 110.251 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.1 p -87.63 135.11 34.48 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.396 -0.365 . . . . 71.41 110.834 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.6 Cg_exo -58.26 -38.86 89.07 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.758 2.305 . . . . 65.03 111.851 177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 m -81.15 101.47 9.67 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.983 -0.553 . . . . 65.22 109.779 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -62.98 -20.58 65.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.409 . . . . 75.31 111.385 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.35 -33.3 70.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 70.04 110.282 176.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m -91.48 -26.37 18.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.255 0.55 . . . . 71.32 110.28 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -72.41 -20.1 61.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.654 -0.703 . . . . 73.24 110.885 -177.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG12 ' NE ' ' A' ' 38' ' ' ARG . 30.7 m -95.04 -7.85 9.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.925 0.393 . . . . 74.53 110.893 177.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -85.43 9.3 16.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 72.25 111.406 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.508 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 12.8 mm-40 -75.98 -54.59 6.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.913 0.387 . . . . 65.43 110.463 176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -156.46 88.8 2.77 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.175 -0.466 . . . . 72.4 110.16 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -86.77 131.14 3.24 Favored 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.936 2.424 . . . . 73.41 111.757 177.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 37' ' ' GLY . 13.5 pt20 -82.53 128.57 34.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.133 0.492 . . . . 72.33 110.158 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.2 106.24 3.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.622 -0.717 . . . . 72.12 110.659 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -148.19 66.76 1.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.152 -0.476 . . . . 31.42 111.001 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.15 -159.7 9.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.919 -0.658 . . . . 33.41 112.077 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.1 p -120.68 166.81 14.42 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 110.11 -0.33 . . . . 74.32 110.11 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.2 -22.64 53.55 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.568 2.179 . . . . 74.12 112.204 177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -86.64 -38.61 16.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 71.01 110.313 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.1 tt -148.14 118.24 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.338 0.589 . . . . 73.05 109.954 177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.8 m -106.26 119.47 39.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.042 0.449 . . . . 75.41 111.53 -172.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG13 HG13 ' A' ' 87' ' ' VAL . 4.1 mp -95.02 104.52 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.571 -0.529 . . . . 53.3 109.571 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB2' HG23 ' A' ' 86' ' ' VAL . 97.0 mt -92.65 132.05 37.22 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.705 -0.479 . . . . 74.03 109.705 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.511 ' O ' ' HG2' ' A' ' 26' ' ' GLN . . . -129.53 161.11 22.8 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.009 -1.091 . . . . 73.43 112.483 -177.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.512 ' NE ' HG12 ' A' ' 21' ' ' VAL . 23.1 ptt180 -129.44 151.58 49.92 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.846 -0.427 . . . . 71.24 109.846 176.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HB3' HD21 ' A' ' 4' ' ' LEU . 3.3 mm? -74.57 100.93 4.04 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.016 0.436 . . . . 63.04 110.588 -178.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -133.18 86.05 2.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.091 -0.504 . . . . 72.34 110.148 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 m -83.68 36.93 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.219 0.533 . . . . 73.22 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.25 7.23 40.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.039 -0.528 . . . . 62.14 110.29 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.82 55.39 11.31 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.25 -0.5 . . . . 62.51 113.022 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -120.16 90.85 45.27 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 122.62 -0.341 . . . . 75.45 110.732 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.28 96.44 0.47 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.655 2.236 . . . . 70.31 111.877 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.596 ' HB3' ' HA ' ' A' ' 84' ' ' ASP . 10.9 tpp180 -115.33 112.66 22.71 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.885 -179.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.46 ' O ' HG23 ' A' ' 47' ' ' ILE . 10.6 tt -93.6 80.9 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-O 122.096 0.951 . . . . 71.14 108.775 171.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.89 70.35 3.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.288 -0.869 . . . . 74.03 112.316 -176.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.634 ' HG ' HG23 ' A' ' 51' ' ' VAL . 32.3 tp -65.31 119.72 11.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.954 0.407 . . . . 74.53 110.232 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -109.83 84.43 1.92 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.276 0.56 . . . . 72.25 110.216 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.634 HG23 ' HG ' ' A' ' 49' ' ' LEU . 86.6 t -113.62 91.44 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.311 0.577 . . . . 73.41 109.821 178.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.14 140.41 47.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.568 -0.742 . . . . 64.13 110.026 179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' H ' ' HG3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -73.85 55.84 0.55 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.846 0.831 . . . . 54.34 111.647 -179.752 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.3 ptmm? -150.46 -26.95 0.23 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.829 -1.078 . . . . 73.43 109.726 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.497 ' HA ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -85.14 -30.76 23.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.799 -0.637 . . . . 74.3 109.693 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.0 t -100.02 111.34 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.529 -0.76 . . . . 71.33 108.981 172.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -70.98 -42.75 69.29 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 75.33 111.716 -173.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.631 ' HB3' ' HG2' ' A' ' 61' ' ' GLU . 2.3 tpm_? -94.91 116.04 28.22 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.244 -0.651 . . . . 75.31 109.244 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' O ' ' HG2' ' A' ' 62' ' ' ARG . . . -57.81 -40.46 80.01 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.098 0.777 . . . . 70.34 113.098 -170.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 -69.49 -16.15 63.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.914 0.339 . . . . 75.42 111.914 -173.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.631 ' HG2' ' HB3' ' A' ' 58' ' ' ARG . 12.1 mm-40 -83.01 -17.18 44.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.915 0.339 . . . . 72.22 111.915 -171.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 59' ' ' ALA . 27.0 ptt180 -69.91 -14.57 62.79 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 120.79 0.329 . . . . 71.41 111.728 -175.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -67.23 -27.55 67.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.408 -0.36 . . . . 75.2 111.782 -176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.474 ' HD2' ' N ' ' A' ' 64' ' ' ARG . 3.9 mpt_? -76.91 -26.55 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.826 0.346 . . . . 63.42 110.756 -176.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.66 -43.0 96.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.921 -0.581 . . . . 71.21 110.67 -177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.639 ' O ' ' HB2' ' A' ' 70' ' ' ARG . 42.9 pttt -73.57 -30.64 63.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.186 -0.461 . . . . 60.43 110.758 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -69.11 -48.02 63.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.715 0.293 . . . . 65.01 110.709 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -57.64 -48.38 79.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.817 -0.629 . . . . 74.33 110.12 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.3 p -69.17 -38.41 78.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.086 -0.506 . . . . 74.14 111.328 -178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.639 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.9 -52.95 62.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.41 -0.359 . . . . 72.34 110.622 -179.125 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -68.04 -32.13 72.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.495 -0.321 . . . . 75.5 111.081 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.9 m -71.71 -38.04 70.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.814 0.34 . . . . 74.11 110.627 178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -59.77 -41.99 92.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.108 0.48 . . . . 71.35 110.421 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 5.2 ptm180 -88.33 9.81 21.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.943 -0.571 . . . . 75.35 111.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.7 tp -100.35 -29.83 12.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.741 0.305 . . . . 71.13 111.06 -178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.626 ' NH2' ' HA ' ' A' ' 113' ' ' CYS . 29.3 ttt180 -113.03 21.97 14.86 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.143 0.423 . . . . 74.53 112.143 -171.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -12.75 47.8 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.646 -0.659 . . . . 54.33 111.831 -177.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -85.3 -12.87 51.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.964 0.411 . . . . 54.41 110.48 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.06 9.22 3.0 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.156 0.503 . . . . 45.52 110.571 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.529 HD12 ' HD2' ' A' ' 81' ' ' PRO . 34.2 tp -128.75 125.84 23.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.426 -0.352 . . . . 71.3 111.281 -176.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.529 ' HD2' HD12 ' A' ' 80' ' ' LEU . 2.7 Cg_exo -76.33 110.37 3.05 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.76 2.307 . . . . 74.43 110.667 169.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.79 108.5 2.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.917 0.389 . . . . 74.32 111.291 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 71.7 mtm -125.39 -166.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.916 -0.584 . . . . 72.55 110.585 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.596 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 11.6 t70 -93.35 116.42 28.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.575 -0.739 . . . . 64.14 110.092 -177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -133.24 140.72 47.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.397 . . . . 74.22 110.666 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 36' ' ' LEU . 15.5 m -113.99 120.84 64.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.367 0.604 . . . . 75.02 110.1 174.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.525 HG13 HG13 ' A' ' 35' ' ' ILE . 37.2 t -98.01 102.51 13.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.841 -0.618 . . . . 72.01 110.758 -174.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.17 111.18 24.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.09 -0.504 . . . . 70.24 110.506 -178.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.546 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -88.75 135.45 33.51 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.869 -0.605 . . . . 43.53 110.966 -178.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.27 172.45 8.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.262 -0.426 . . . . 64.32 110.406 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 55' ' ' ASN . 44.6 mtpt -65.04 130.89 45.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.032 0.444 . . . . 73.3 110.789 -178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 103.92 -6.43 47.71 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.696 -0.764 . . . . 63.54 112.347 178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.546 HG11 ' HB1' ' A' ' 89' ' ' ALA . 11.5 p -60.43 -26.98 38.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 CA-C-O 120.939 0.4 . . . . 71.32 111.519 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.41 -13.7 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.13 0.49 . . . . 75.41 111.136 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.18 56.58 2.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.872 0.844 . . . . 73.22 109.661 -177.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' H ' ' HG ' ' A' ' 96' ' ' LEU . 2.7 pp -96.84 169.48 9.82 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.074 -0.967 . . . . 71.31 111.211 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -122.28 149.65 43.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.739 -0.664 . . . . 72.31 109.516 178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -60.59 -33.18 72.36 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.817 0.342 . . . . 74.55 111.6 -176.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 22.6 ttm180 -80.13 -45.9 17.38 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.625 -0.509 . . . . 74.32 109.625 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.18 -35.22 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.215 -0.902 . . . . 74.1 112.53 -175.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 102' ' ' SER . 4.6 pp -64.12 -27.22 68.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.689 0.281 . . . . 74.45 111.202 -176.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 101' ' ' LEU . 14.6 t -80.43 -29.91 37.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.104 0.478 . . . . 73.53 109.815 179.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 35.7 mt-10 -74.07 -36.62 64.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.825 -0.625 . . . . 73.55 110.087 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.703 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -80.19 -20.73 44.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.81 -0.632 . . . . 74.03 111.053 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.71 -43.19 94.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.524 . . . . 62.04 110.385 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.466 ' HB2' ' NH1' ' A' ' 110' ' ' ARG . 0.1 OUTLIER -72.12 -18.74 61.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.303 -0.408 . . . . 75.33 110.94 -176.593 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.703 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.2 mmmt -68.26 -46.59 70.04 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.383 -0.599 . . . . 63.33 109.383 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.87 -31.28 72.28 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.485 -0.779 . . . . 63.32 110.484 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -63.76 -62.9 1.35 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.867 -0.606 . . . . 74.11 109.9 177.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.484 ' HD2' ' N ' ' A' ' 110' ' ' ARG . 0.8 OUTLIER -67.72 -30.17 69.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 72.15 111.842 -173.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -59.83 -34.61 73.31 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.103 0.478 . . . . 72.24 110.838 175.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -105.83 15.36 26.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.004 0.43 . . . . 64.15 110.269 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.626 ' HA ' ' NH2' ' A' ' 76' ' ' ARG . 42.0 t -99.02 -63.13 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.757 -0.656 . . . . 65.41 110.232 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -61.04 -45.24 95.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 74.03 111.053 -178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 53.4 tp -62.04 -28.68 69.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 71.13 111.055 -178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.2 -26.75 42.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.29 -0.413 . . . . 73.42 111.375 -177.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -105.33 4.52 31.0 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.755 0.279 . . . . 74.53 111.755 -174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.43 -132.57 4.35 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.584 -0.817 . . . . 53.54 112.171 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.4 m . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.753 -0.642 . . . . 73.24 109.717 -179.321 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 120.76 0.314 . . . . 65.22 110.27 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.8 t -86.12 107.92 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.855 -0.424 . . . . 53.13 109.855 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -141.24 150.21 42.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.11 -0.496 . . . . 73.5 110.304 -175.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.7 38.75 0.58 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.166 0.508 . . . . 75.13 110.126 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.97 115.63 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.471 -0.786 . . . . 43.2 109.686 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' CD1' ' HB2' ' A' ' 8' ' ' ARG . 13.9 p90 -121.62 146.99 46.85 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 116.317 -0.401 . . . . 65.25 110.847 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 6' ' ' PHE . 21.1 Cg_exo -66.48 -4.36 10.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.276 2.651 . . . . 73.02 113.27 -176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' HB2' ' CD1' ' A' ' 6' ' ' PHE . 28.4 mmt180 -73.42 -14.29 61.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.819 0.342 . . . . 62.13 110.726 -178.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 6' ' ' PHE . 11.7 pt-20 -66.34 -18.97 65.67 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.071 -0.513 . . . . 75.15 110.944 177.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.1 tp -68.12 -17.59 64.4 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 121.272 0.558 . . . . 62.2 110.114 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 3.1 mmp_? -101.68 -61.73 1.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.327 -0.62 . . . . 73.53 109.327 176.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 99.1 mt -122.19 105.42 10.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.49 -0.777 . . . . 72.33 109.556 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 13' ' ' LEU . 1.9 pp -68.1 133.62 49.25 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.13 0.49 . . . . 61.32 110.404 178.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.8 p -120.9 77.54 30.57 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.266 -0.425 . . . . 73.43 111.817 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -84.9 -30.08 0.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.048 1.832 . . . . 74.13 111.175 172.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.7 m -93.42 118.61 31.53 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.325 -0.852 . . . . 72.32 110.343 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -75.32 -28.4 59.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.157 -0.682 . . . . 74.04 109.157 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.5 -25.08 65.81 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.302 -0.863 . . . . 74.25 111.128 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.1 m -77.14 -41.66 40.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.919 0.39 . . . . 72.11 110.869 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -83.34 -27.14 29.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.417 -0.356 . . . . 70.0 110.911 -175.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 9.3 p -67.5 -15.37 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.148 0.499 . . . . 54.23 110.377 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -80.85 -22.03 40.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.198 0.523 . . . . 74.03 109.889 176.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.01 -53.43 10.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.914 -0.585 . . . . 72.13 110.261 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -147.29 94.78 4.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.869 -0.605 . . . . 73.04 109.899 178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.529 ' HB2' HD22 ' A' ' 36' ' ' LEU . 89.8 Cg_endo -86.2 159.96 9.91 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.971 2.447 . . . . 53.31 113.419 -176.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' O ' ' HA ' ' A' ' 36' ' ' LEU . 40.7 mt-30 -99.23 140.96 32.62 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.517 -0.919 . . . . 72.34 108.517 171.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -104.26 103.41 13.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.871 0.367 . . . . 73.33 110.372 -175.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.96 169.39 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.955 -0.566 . . . . 71.51 110.497 176.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.32 -145.13 19.53 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.865 -0.683 . . . . 63.43 112.312 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.584 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 55.5 p -123.34 169.59 9.87 Favored Pre-proline 0 C--N 1.32 -0.71 0 N-CA-C 110.346 -0.242 . . . . 75.21 110.346 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.584 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 17.6 Cg_endo -60.09 -14.44 28.53 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.486 2.124 . . . . 72.41 112.314 172.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -93.12 -53.59 4.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.233 -0.439 . . . . 72.13 110.673 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.551 HD13 HD21 ' A' ' 108' ' ' LEU . 8.6 tt -112.57 100.22 10.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.522 0.677 . . . . 65.22 110.028 176.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.524 ' HB ' ' HB ' ' A' ' 88' ' ' VAL . 20.8 m -94.25 119.07 32.51 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.598 -0.728 . . . . 70.05 111.187 -176.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.2 mt -101.97 132.16 48.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.715 -0.675 . . . . 44.55 109.736 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD22 ' HB2' ' A' ' 25' ' ' PRO . 75.9 mt -103.37 -96.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.549 0.214 . . . . 73.04 111.078 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.71 121.91 2.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.938 -0.649 . . . . 33.01 113.063 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HG3' ' HA ' ' A' ' 21' ' ' VAL . 7.7 mmt180 -138.68 98.91 3.67 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.094 0.473 . . . . 74.43 111.032 175.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.5 tp -82.77 88.45 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.226 -0.443 . . . . 64.05 110.509 177.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -106.37 -49.66 3.3 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.886 -0.597 . . . . 63.5 110.422 176.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.4 t -165.59 92.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.208 -0.451 . . . . 62.31 110.497 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 tp -170.42 -66.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.218 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 82' ' ' ALA . . . 70.32 21.63 77.38 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.986 -0.626 . . . . 42.32 112.89 178.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 4.4 t-80 -132.11 116.51 15.57 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.653 -0.499 . . . . 71.35 109.653 -179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 83' ' ' MET . 47.3 Cg_exo -57.12 143.78 92.1 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 123.384 2.723 . . . . 75.13 113.834 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -141.66 118.95 11.43 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.392 -0.822 . . . . 73.44 109.555 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 47' ' ' ILE . 9.3 tt -81.77 86.02 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 122.045 0.926 . . . . 60.03 109.861 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.46 67.33 3.48 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.481 -0.781 . . . . 53.45 112.208 -176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.514 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 55.4 tp -64.81 99.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.214 0.53 . . . . 62.24 110.13 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -105.54 96.77 6.74 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.714 -0.675 . . . . 70.3 110.391 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.458 HG12 ' HB3' ' A' ' 89' ' ' ALA . 27.2 m -97.33 138.79 21.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.779 -0.646 . . . . 74.42 110.716 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB3' ' ND2' ' A' ' 55' ' ' ASN . . . -83.77 153.91 23.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.223 -0.444 . . . . 53.1 110.15 176.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.523 ' HD2' ' N ' ' A' ' 53' ' ' LYS . 0.3 OUTLIER -82.25 7.39 13.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.317 0.58 . . . . 73.21 110.151 -175.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -115.31 -5.57 12.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.431 -0.804 . . . . 71.41 110.631 178.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.405 ' ND2' ' HB3' ' A' ' 52' ' ' ALA . 81.3 m-20 -101.52 -54.19 2.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.437 -0.347 . . . . 54.14 111.142 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.4 t -81.8 93.2 2.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.047 0.451 . . . . 71.42 109.835 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.816 ' HG3' ' HD3' ' A' ' 58' ' ' ARG . 13.2 ptm180 -90.59 -23.72 20.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.045 -0.525 . . . . 75.32 111.699 -176.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.816 ' HD3' ' HG3' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -109.47 137.44 47.31 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.245 -0.28 . . . . 72.32 110.245 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.3 -31.94 71.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.214 -0.448 . . . . 74.14 111.55 -175.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -71.97 -8.79 56.52 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.153 0.427 . . . . 72.51 112.153 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.499 ' HG2' ' HA ' ' A' ' 94' ' ' ALA . 0.6 OUTLIER -88.64 -23.39 23.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.971 0.415 . . . . 73.31 110.468 173.648 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -66.3 -38.13 87.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.074 0.464 . . . . 63.53 110.296 -177.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -89.17 -0.03 57.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.822 -0.627 . . . . 73.01 110.638 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HB3' ' HA ' ' A' ' 61' ' ' GLU . 23.0 ttt180 -94.23 -43.83 8.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.702 -0.681 . . . . 74.01 110.413 -176.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.3 mm -69.17 -36.39 72.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 115.931 -0.577 . . . . 73.14 111.473 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HA ' ' OG1' ' A' ' 69' ' ' THR . 17.1 ptpt -80.98 10.19 5.47 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.766 0.317 . . . . 71.2 111.847 -177.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -90.03 -47.57 7.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.186 0.517 . . . . 73.54 109.608 170.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.61 -43.72 79.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.323 -0.853 . . . . 64.35 109.982 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.46 ' OG1' ' HA ' ' A' ' 66' ' ' LYS . 9.5 p -71.95 -25.31 61.82 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.748 -0.66 . . . . 54.42 111.773 -176.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -60.06 -38.12 81.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.14 0.495 . . . . 72.45 111.451 -177.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -96.0 -37.3 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.881 -0.6 . . . . 71.15 111.961 -173.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.5 p -69.7 -12.2 61.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.336 0.495 . . . . 71.23 112.336 -172.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -114.24 10.39 17.22 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.973 0.36 . . . . 72.42 111.973 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 -139.18 -36.07 0.54 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.404 -0.519 . . . . 60.5 112.327 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.2 19.67 0.16 Allowed 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 112.857 0.688 . . . . 65.44 112.857 -173.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -136.61 27.78 3.03 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.678 -0.489 . . . . 74.52 109.678 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.419 ' H ' ' NE2' ' A' ' 77' ' ' GLN . 0.2 OUTLIER -64.86 -13.14 55.32 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.754 1.02 . . . . 62.23 113.754 -169.629 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -77.88 -42.93 31.71 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.423 -0.511 . . . . 74.11 110.421 178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -122.72 84.44 2.26 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.192 0.52 . . . . 75.0 109.684 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.3 tp -171.59 135.12 0.92 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.159 -0.928 . . . . 63.5 109.556 -176.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.415 ' HG2' ' HG ' ' A' ' 115' ' ' LEU . 23.0 Cg_exo -65.32 111.6 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.349 2.032 . . . . 71.21 111.541 174.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.423 ' O ' ' HA2' ' A' ' 43' ' ' GLY . . . -76.55 98.43 4.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.05 -0.523 . . . . 71.33 111.197 -177.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.528 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 26.5 ptt? -145.02 -165.54 2.19 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.66 -0.7 . . . . 51.41 109.253 178.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.582 ' OD2' HG23 ' A' ' 86' ' ' VAL . 2.4 p-10 -76.42 157.31 32.4 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.403 -0.591 . . . . 65.03 109.403 176.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HE2' ' HB3' ' A' ' 45' ' ' PRO . 82.2 m-85 -132.71 75.73 1.65 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.965 -0.383 . . . . 74.42 109.965 176.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.582 HG23 ' OD2' ' A' ' 84' ' ' ASP . 58.7 t -67.93 103.46 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.962 -0.563 . . . . 75.11 109.528 174.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.514 ' HB ' ' HA ' ' A' ' 49' ' ' LEU . 47.1 t -93.49 99.44 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 CA-C-N 115.682 -0.69 . . . . 64.55 109.775 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' A' ' 34' ' ' THR . 21.8 t -85.85 96.54 5.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.617 -0.512 . . . . 72.34 109.617 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.458 ' HB3' HG12 ' A' ' 51' ' ' VAL . . . -80.95 109.12 15.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.761 -0.654 . . . . 64.51 110.796 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.12 174.42 8.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.444 -0.798 . . . . 73.31 109.295 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -73.21 158.07 35.92 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.54 -0.541 . . . . 72.12 109.54 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 106.24 -23.1 29.62 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.61 -0.805 . . . . 62.44 111.37 -172.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -74.59 -32.08 28.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-O 120.838 0.352 . . . . 60.34 110.306 176.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HA ' ' HG2' ' A' ' 61' ' ' GLU . . . -80.61 63.9 5.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.374 0.607 . . . . 74.34 109.746 176.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -175.18 -25.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.927 -1.033 . . . . 62.43 109.468 -173.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.35 115.09 3.01 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.483 -0.78 . . . . 71.35 111.877 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -61.85 163.77 7.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.166 -0.925 . . . . 70.15 110.518 176.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -50.97 -39.39 55.28 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.74 0.305 . . . . 73.2 111.197 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 13.9 ttm180 -65.65 -48.82 70.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.374 -0.375 . . . . 72.25 110.505 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.01 -34.27 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.783 -0.644 . . . . 70.42 111.479 -176.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.29 -45.39 94.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.158 0.504 . . . . 73.41 110.75 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.8 t -69.83 -38.22 76.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.908 -0.587 . . . . 74.31 110.993 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 99' ' ' ARG . 29.4 mt-10 -77.15 -17.17 58.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.806 0.336 . . . . 74.42 111.237 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.62 -29.75 25.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.48 -0.327 . . . . 71.25 110.788 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.49 -45.25 85.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.032 -0.531 . . . . 73.41 110.581 -177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -63.72 -31.87 73.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.301 -0.409 . . . . 74.44 111.132 -178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -64.61 -33.22 75.43 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.989 0.423 . . . . 72.32 110.218 -178.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 33' ' ' ILE . 11.3 mp -72.0 -41.05 68.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.892 -0.594 . . . . 72.24 110.152 175.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -65.59 -42.38 91.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.024 -0.535 . . . . 73.1 111.205 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -59.17 -28.73 66.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.187 -0.46 . . . . 51.44 111.185 -179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -86.3 -37.34 18.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.887 0.375 . . . . 64.45 110.411 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -63.82 -45.04 91.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.26 -0.427 . . . . 74.21 111.287 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 49.5 t -57.67 -42.29 83.28 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.469 0.48 . . . . 75.32 111.14 -177.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 114' ' ' ARG . 11.2 mmt180 -71.33 -37.73 71.71 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 74.34 111.138 -179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.415 ' HG ' ' HG2' ' A' ' 81' ' ' PRO . 48.9 tp -68.53 -30.21 68.96 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.109 0.481 . . . . 71.32 110.689 -178.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.58 -17.4 56.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.002 -0.544 . . . . 75.21 112.262 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -116.28 -25.66 7.46 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.983 -0.287 . . . . 73.42 111.632 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.95 109.46 1.43 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.741 -0.742 . . . . 61.34 111.515 -178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.715 -0.66 . . . . 74.13 110.899 -177.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ttt . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.807 0.337 . . . . 50.22 110.374 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.6 p -96.26 98.47 7.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.794 0.807 . . . . 74.15 109.834 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -83.89 -15.83 46.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.221 -0.899 . . . . 61.11 110.667 -177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.598 HD21 ' HA ' ' A' ' 40' ' ' ASN . 9.9 tt -74.34 -19.03 60.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.524 -0.762 . . . . 73.35 109.846 177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.79 -177.45 3.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.769 -0.65 . . . . 54.32 109.853 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -128.29 128.35 23.68 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.669 -0.241 . . . . 71.34 110.369 179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -65.12 140.97 67.62 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.606 2.204 . . . . 61.21 111.945 178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HB2' HD22 ' A' ' 12' ' ' LEU . 18.3 ptp180 -71.04 -16.64 62.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.136 -0.484 . . . . 64.23 110.834 -176.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.57 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.14 110.372 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.6 tt -87.42 -55.26 3.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.886 -0.783 . . . . 72.1 108.886 177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 11' ' ' ARG . 16.4 tpt180 -149.93 127.46 11.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.607 -0.724 . . . . 72.11 109.993 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -75.28 108.22 7.91 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.136 -0.69 . . . . 72.42 109.136 177.536 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -112.44 172.95 6.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.771 -0.65 . . . . 75.13 110.401 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.4 m -81.8 125.17 78.57 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 116.23 -0.441 . . . . 72.01 110.086 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.28 10.07 1.92 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 123.094 2.53 . . . . 61.04 113.476 -176.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.7 m -89.21 136.1 33.21 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.123 -0.325 . . . . 65.44 110.123 177.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -53.62 -30.32 42.2 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.027 -0.533 . . . . 64.23 111.668 -177.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' HG21 ' A' ' 86' ' ' VAL . 78.0 m-85 -59.49 -40.58 87.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.198 -0.456 . . . . 64.14 111.108 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -88.56 -21.39 24.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.181 0.515 . . . . 50.44 110.523 -178.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' HZ ' HD23 ' A' ' 4' ' ' LEU . 88.4 t80 -70.51 -42.08 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 74.24 111.175 -177.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.552 HG12 ' HB3' ' A' ' 38' ' ' ARG . 35.0 m -71.06 -24.13 24.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.495 -0.321 . . . . 64.41 111.421 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -71.39 -13.48 61.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 63.3 111.456 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -67.23 -33.3 75.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 61.03 110.785 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.91 89.28 0.25 Allowed Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 108.26 -1.015 . . . . 74.11 108.26 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -97.16 170.35 0.84 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.441 2.761 . . . . 65.41 113.897 -174.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -89.58 126.06 35.47 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.16 -0.927 . . . . 73.41 108.999 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.07 87.09 6.05 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.268 0.556 . . . . 74.44 110.528 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.42 156.04 21.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.718 -0.674 . . . . 63.41 110.663 178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.39 -145.61 17.7 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.769 -0.729 . . . . 42.11 112.427 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.474 ' HB ' ' CD ' ' A' ' 31' ' ' PRO . 23.7 p -133.92 173.3 6.0 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 110.334 -0.247 . . . . 71.51 110.334 -177.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' CD ' ' HB ' ' A' ' 30' ' ' THR . 23.4 Cg_exo -67.02 -11.71 33.31 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.611 2.207 . . . . 74.54 112.853 176.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.499 HE22 HD23 ' A' ' 96' ' ' LEU . 21.0 pt20 -95.16 -31.48 13.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.419 . . . . 62.12 110.148 178.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.8 tt -142.19 105.15 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.546 0.689 . . . . 70.54 109.728 176.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.1 m -103.44 125.27 49.93 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.765 -0.652 . . . . 74.54 111.054 -173.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG13 HG13 ' A' ' 87' ' ' VAL . 3.6 mp -96.63 110.01 24.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.33 -0.619 . . . . 43.45 109.33 178.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.98 90.95 7.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.171 0.51 . . . . 75.42 109.969 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -101.76 162.6 17.48 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.561 -0.745 . . . . 74.13 111.383 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.552 ' HB3' HG12 ' A' ' 21' ' ' VAL . 20.3 ttt180 -166.72 124.63 1.35 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.281 -0.266 . . . . 65.44 110.281 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.641 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.9 pt? -56.25 126.8 27.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 74.33 109.522 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.598 ' HA ' HD21 ' A' ' 4' ' ' LEU . 9.2 p30 -153.17 155.68 37.15 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.399 -0.364 . . . . 74.0 110.443 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.1 m -84.89 95.42 9.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.233 0.54 . . . . 63.42 110.758 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.7 tp -166.59 -47.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.224 -0.898 . . . . 73.12 109.094 176.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 68.69 48.05 52.21 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.822 -0.626 . . . . 60.14 111.851 178.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -109.13 89.65 7.05 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-O 120.995 0.426 . . . . 73.1 109.914 -177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 72.9 Cg_endo -83.41 84.28 1.7 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.346 2.031 . . . . 41.34 112.789 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.9 ttp180 -136.82 130.78 32.36 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.026 -0.731 . . . . 73.41 109.026 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD11 ' HB ' ' A' ' 69' ' ' THR . 10.0 tt -66.95 122.04 17.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.289 0.566 . . . . 54.23 110.528 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.51 53.06 0.67 Allowed Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.768 -0.729 . . . . 63.43 112.606 -177.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD21 HG22 ' A' ' 65' ' ' ILE . 33.6 tp -73.28 115.63 12.87 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.223 -0.288 . . . . 73.44 110.223 177.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.1 m -120.68 116.69 25.79 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.23 -0.441 . . . . 53.44 110.662 179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 56.6 t -91.6 127.83 43.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.184 -0.462 . . . . 63.21 110.186 177.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.49 150.68 21.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 74.34 110.894 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -80.4 72.86 7.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.256 0.551 . . . . 73.41 110.532 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -155.33 17.43 0.41 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.285 -0.87 . . . . 60.44 109.483 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -151.72 -64.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.888 -1.051 . . . . 75.43 109.577 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.2 t -104.74 116.55 48.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.656 -0.498 . . . . 72.21 109.656 174.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -106.59 -68.85 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.022 0.439 . . . . 64.51 110.184 178.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.456 ' HD3' ' HA ' ' A' ' 58' ' ' ARG . 18.0 mmt180 -131.94 98.35 4.42 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.312 0.577 . . . . 73.04 110.828 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -167.63 162.31 14.06 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.016 -0.993 . . . . 63.3 108.836 179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -71.75 -13.32 61.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.507 0.67 . . . . 70.42 110.201 -178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.578 ' HA ' ' HB2' ' A' ' 64' ' ' ARG . 3.1 mp0 -75.85 -5.13 44.49 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.259 -0.882 . . . . 53.11 111.033 178.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.12 -45.15 86.27 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 70.43 109.587 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -87.59 -14.64 39.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 55.22 110.327 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HB2' ' HA ' ' A' ' 61' ' ' GLU . 17.6 tpp180 -57.04 -48.61 78.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.9 -0.591 . . . . 72.41 110.862 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.552 HG22 HD21 ' A' ' 49' ' ' LEU . 37.4 mm -62.95 -42.67 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.557 -0.747 . . . . 64.23 111.153 -175.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HE3' ' HB2' ' A' ' 66' ' ' LYS . 19.0 ptmt -82.06 -14.76 55.38 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.575 -0.45 . . . . 71.23 111.515 -176.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -73.36 -54.8 7.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.982 0.42 . . . . 73.24 110.134 172.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -47.27 81.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.258 -0.883 . . . . 60.32 110.643 -176.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.471 ' HB ' HD11 ' A' ' 47' ' ' ILE . 23.3 p -71.62 -37.24 70.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 71.4 112.121 -176.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -66.0 -47.01 75.91 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.972 0.415 . . . . 54.54 110.854 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -71.25 -32.11 68.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.806 -0.634 . . . . 70.14 111.186 -173.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 p -76.84 -39.4 51.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.688 0.28 . . . . 73.42 110.768 178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -61.37 -39.09 89.38 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.121 0.486 . . . . 73.53 110.443 177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -67.66 -13.01 61.73 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.56 -0.746 . . . . 71.14 111.501 -178.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 37.5 tp -109.55 -8.08 15.05 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.695 -0.402 . . . . 72.3 110.991 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -124.29 16.93 9.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.118 0.414 . . . . 74.24 112.118 -175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -19.26 63.87 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.039 0.385 . . . . 73.4 112.039 -175.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -93.84 -10.71 33.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.328 0.585 . . . . 71.32 109.969 178.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.67 2.46 53.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.536 -0.757 . . . . 53.52 109.704 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.4 pp -143.54 156.54 60.05 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.272 -0.876 . . . . 64.34 109.993 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.54 148.27 53.49 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.741 2.294 . . . . 61.22 111.709 175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' HA ' ' HB3' ' A' ' 45' ' ' PRO . . . -62.78 102.38 0.34 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.932 0.396 . . . . 54.42 110.748 178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 43.0 ttm -148.98 152.36 36.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.225 -0.443 . . . . 74.13 110.624 -175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -76.68 120.4 21.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 74.23 110.288 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -116.5 105.83 12.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.235 -0.439 . . . . 73.12 110.102 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG21 ' HA ' ' A' ' 18' ' ' PHE . 49.6 t -88.24 105.16 15.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.907 -0.588 . . . . 53.01 110.053 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.511 HG13 HG13 ' A' ' 35' ' ' ILE . 14.9 t -95.31 113.94 30.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.236 -176.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.3 t -104.46 115.49 46.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.262 -178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 93' ' ' VAL . . . -74.44 134.7 42.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 73.44 110.514 179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 35.8 mmtp -103.49 170.7 7.78 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.645 -0.502 . . . . 72.52 109.645 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -74.52 113.83 12.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.268 0.556 . . . . 70.1 111.001 -178.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 125.08 -8.23 8.05 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.393 -0.821 . . . . 52.23 112.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HB ' ' O ' ' A' ' 32' ' ' GLN . 13.5 p -68.73 -35.53 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 112.002 0.371 . . . . 74.01 112.002 -177.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.481 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -90.35 9.87 27.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.015 0.436 . . . . 73.05 111.03 -178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -122.85 74.76 1.23 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.277 0.56 . . . . 50.41 110.099 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.499 HD23 HE22 ' A' ' 32' ' ' GLN . 1.1 pp -135.97 172.75 12.56 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.742 -0.663 . . . . 65.32 110.72 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.7 166.46 21.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.854 0.359 . . . . 74.23 111.156 -178.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.449 HD22 ' C ' ' A' ' 98' ' ' ASN . 0.2 OUTLIER -58.94 -46.05 88.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.009 -0.542 . . . . 45.42 110.149 177.113 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 103' ' ' GLU . 14.9 ptm180 -63.02 -27.91 69.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 72.0 111.588 178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.63 -20.41 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.288 -0.414 . . . . 73.5 111.455 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.89 -52.27 66.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.99 0.424 . . . . 70.21 110.502 177.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.5 m -70.98 -33.15 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.821 -0.627 . . . . 74.22 110.706 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 107' ' ' LYS . 44.8 mt-10 -67.9 -50.73 54.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.085 -0.507 . . . . 72.0 110.823 -179.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.36 -27.04 64.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.484 -0.326 . . . . 74.03 111.403 -177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.92 -53.4 56.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.033 -0.53 . . . . 72.04 111.339 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.538 ' HA ' ' HB3' ' A' ' 109' ' ' TRP . 13.3 pt-20 -75.32 -17.99 60.13 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.657 -0.417 . . . . 61.1 110.988 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 103' ' ' GLU . 14.4 mmmm -67.89 -42.11 81.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 72.25 110.359 178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.47 -36.87 52.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.11 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.538 ' HB3' ' HA ' ' A' ' 106' ' ' GLU . 25.5 t90 -61.56 -65.44 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.536 -0.757 . . . . 75.12 111.104 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -57.65 -30.07 65.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.816 0.341 . . . . 70.35 111.338 -175.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -62.31 -46.39 88.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 72.54 111.001 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.58 -26.52 55.16 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.767 -0.373 . . . . 72.25 110.95 -174.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.0 m -64.54 -42.56 95.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.931 0.396 . . . . 62.32 110.756 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -69.03 -47.15 66.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.939 -0.573 . . . . 70.32 110.379 -178.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 46.8 tp -67.51 -27.14 66.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.95 -0.568 . . . . 71.04 111.484 -176.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -69.85 -12.01 61.3 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.766 0.317 . . . . 71.55 111.33 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -117.04 6.98 12.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.331 0.586 . . . . 74.45 109.724 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 76.93 -110.19 2.96 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.331 -0.849 . . . . 63.23 112.298 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.593 -0.718 . . . . 65.34 110.063 179.117 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 ttm . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.109 -0.33 . . . . 53.23 110.109 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.423 HG21 ' HB2' ' A' ' 6' ' ' PHE . 7.6 p -88.31 118.98 34.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.53 0.681 . . . . 72.04 111.301 -177.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.528 ' HG2' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -125.95 11.5 7.72 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.752 -0.658 . . . . 74.11 110.195 174.387 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 HD12 ' HG2' ' A' ' 3' ' ' LYS . 7.3 mp -109.29 178.89 4.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.408 -0.815 . . . . 71.1 109.494 178.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.24 99.14 5.37 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.194 -0.299 . . . . 62.11 110.194 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.423 ' HB2' HG21 ' A' ' 2' ' ' VAL . 56.2 t80 -76.98 117.26 63.82 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.4 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -79.62 59.55 7.45 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.952 2.434 . . . . 71.34 112.294 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -63.54 -28.98 70.31 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.99 0.424 . . . . 71.41 110.959 179.601 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -75.33 -22.97 57.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.263 0.554 . . . . 64.44 110.295 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 12' ' ' LEU . 0.8 OUTLIER -92.48 -31.33 15.29 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.762 -0.654 . . . . 73.35 109.274 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.4 mtp-105 67.48 20.02 9.88 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.36 -0.836 . . . . 75.34 111.821 176.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 10' ' ' LEU . 2.0 tm? -136.87 113.43 10.15 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.279 -0.637 . . . . 55.02 109.279 178.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -86.13 117.36 24.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.117 -0.492 . . . . 74.31 109.714 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.48 107.46 53.25 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-O 120.919 0.39 . . . . 70.2 110.948 177.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -80.4 2.86 8.16 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 123.116 2.544 . . . . 50.33 112.211 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 49.6 m -70.02 123.67 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.87 -0.605 . . . . 30.31 110.858 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.513 ' HA ' HD21 ' A' ' 40' ' ' ASN . 3.1 pt20 -52.22 -48.94 64.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.368 -0.833 . . . . 71.03 112.403 -177.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -67.88 -36.99 81.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.751 0.31 . . . . 74.52 111.327 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 20.1 m -69.85 -45.5 67.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 54.42 111.579 -176.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -62.82 -42.15 99.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 75.34 111.423 -174.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.451 HG23 ' HB2' ' A' ' 38' ' ' ARG . 11.7 p -78.39 -20.55 13.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 54.45 111.232 -176.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -74.56 -36.48 63.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.398 -0.365 . . . . 73.21 111.503 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 19' ' ' THR . 13.5 mm-40 -61.28 -57.88 10.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 71.45 111.742 -173.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -133.79 82.8 49.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.97 0.414 . . . . 61.52 110.613 177.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.565 ' HB2' HD22 ' A' ' 36' ' ' LEU . 96.0 Cg_endo -82.67 144.05 12.3 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.803 2.336 . . . . 75.14 113.015 -177.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -84.58 127.8 34.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.21 -0.663 . . . . 73.42 109.21 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 tmm_? -85.57 94.0 8.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.903 0.382 . . . . 73.34 110.061 -175.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.46 168.72 9.74 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.03 -0.532 . . . . 64.41 110.792 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.577 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 90.23 -117.2 4.99 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.872 -0.68 . . . . 72.42 112.31 177.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.515 HG22 ' HD2' ' A' ' 31' ' ' PRO . 3.6 m -144.58 151.48 50.51 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.303 -0.629 . . . . 71.13 109.303 -177.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.515 ' HD2' HG22 ' A' ' 30' ' ' THR . 73.1 Cg_exo -54.81 -29.11 61.28 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.156 1.904 . . . . 74.41 112.521 172.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -79.05 -39.93 32.63 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.061 0.458 . . . . 71.33 110.783 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.2 tt -131.29 97.31 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.912 0.863 . . . . 72.3 109.191 174.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.9 m -95.34 122.76 38.38 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.323 -0.853 . . . . 71.21 112.011 -168.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.573 HD11 HD12 ' A' ' 108' ' ' LEU . 53.3 mt -97.04 114.45 34.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.675 -0.693 . . . . 61.44 109.816 177.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.565 HD22 ' HB2' ' A' ' 25' ' ' PRO . 84.7 mt -100.32 103.75 15.17 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.41 -0.589 . . . . 65.5 109.41 177.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.03 148.89 18.89 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.648 -0.787 . . . . 54.02 112.829 -176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HB2' HG23 ' A' ' 21' ' ' VAL . 17.5 mmt180 -158.39 146.62 18.53 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 123.167 0.587 . . . . 72.15 109.596 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.742 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -67.52 104.57 1.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.361 -0.607 . . . . 45.23 109.361 175.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.513 HD21 ' HA ' ' A' ' 17' ' ' GLN . 3.4 t-20 -90.19 159.46 16.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.941 -0.572 . . . . 71.3 111.239 -171.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.7 t -89.81 -19.93 24.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 71.21 110.904 -178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -64.32 1.0 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.838 -0.801 . . . . 72.05 108.838 177.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.95 46.74 10.2 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.698 -0.763 . . . . 61.2 113.234 170.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 16.9 t60 -131.67 84.43 54.95 Favored Pre-proline 0 C--N 1.318 -0.781 0 N-CA-C 108.594 -0.891 . . . . 55.02 108.594 175.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -31.87 98.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 124.824 3.683 . . . . 73.43 115.314 -168.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 44' ' ' HIS . 18.3 mmm180 -116.41 111.26 19.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.177 -0.919 . . . . 75.21 108.983 170.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 47' ' ' ILE . 7.8 tt -69.7 100.25 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.535 0.684 . . . . 62.12 110.143 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.594 ' HA3' HG12 ' A' ' 86' ' ' VAL . . . -77.05 63.69 3.19 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.675 -0.693 . . . . 45.34 112.893 -176.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -66.73 113.06 4.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.943 0.401 . . . . 74.2 110.29 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 44.7 m -107.43 94.12 4.92 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.196 0.522 . . . . 72.53 109.975 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.6 p -104.0 91.0 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.661 0.743 . . . . 62.45 110.319 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.31 139.51 58.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.261 -0.881 . . . . 72.53 111.019 -177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -80.32 -6.52 58.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.05 -0.523 . . . . 75.43 111.111 -175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -86.08 -26.01 25.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.444 -0.576 . . . . 74.44 109.444 171.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.574 ' HA ' ' HB3' ' A' ' 91' ' ' LYS . 90.9 m-20 -84.66 -32.33 23.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.618 -0.719 . . . . 64.3 109.881 -178.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG11 ' HG2' ' A' ' 62' ' ' ARG . 38.5 t -120.19 99.9 8.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.358 -0.837 . . . . 71.44 109.728 174.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -76.74 -8.3 57.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.946 -0.57 . . . . 75.41 110.499 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.663 ' HB3' ' OE1' ' A' ' 61' ' ' GLU . 16.4 mmm180 -82.23 -177.07 6.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.829 -0.623 . . . . 63.22 111.016 -177.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -117.11 -76.54 0.57 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.408 -0.36 . . . . 61.42 111.186 -178.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -64.36 -24.59 67.69 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.189 0.519 . . . . 55.34 110.642 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.663 ' OE1' ' HB3' ' A' ' 58' ' ' ARG . 11.5 mp0 -66.43 -19.66 65.85 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 53.15 110.972 -179.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.436 ' HG2' HG11 ' A' ' 56' ' ' VAL . 54.8 mtp180 -73.81 -33.18 64.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.15 0.5 . . . . 74.11 109.715 177.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' A' ' 67' ' ' ARG . 13.6 m120 -68.62 -32.87 73.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.683 -0.689 . . . . 65.34 109.916 177.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -58.11 -45.18 87.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.868 -0.606 . . . . 74.24 110.42 177.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.39 -39.92 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.009 -0.541 . . . . 61.35 110.322 178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -64.57 -42.95 95.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.626 -0.715 . . . . 71.32 111.411 -178.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 63' ' ' ASN . 79.3 mtp180 -68.36 -36.29 78.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.771 0.319 . . . . 75.23 110.846 -179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.537 HD11 HD23 ' A' ' 105' ' ' LEU . 2.5 tm? -67.7 -48.04 67.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.995 -0.548 . . . . 62.41 110.648 -177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.1 p -73.69 -36.47 65.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 71.33 112.329 -174.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -70.58 -3.45 18.23 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.736 0.303 . . . . 72.41 111.285 -176.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -99.36 -64.13 1.06 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.945 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.2 p -60.58 -40.66 92.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.812 0.671 . . . . 61.15 112.812 -171.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -72.44 -33.84 67.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.88 0.372 . . . . 62.04 111.436 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.826 ' HD3' HD22 ' A' ' 75' ' ' LEU . 0.8 OUTLIER -82.32 -26.62 32.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.973 -0.558 . . . . 74.41 111.911 -173.545 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.826 HD22 ' HD3' ' A' ' 74' ' ' ARG . 3.2 mm? -79.99 3.75 19.12 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.524 0.564 . . . . 53.22 112.524 -176.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HD3' ' HA ' ' A' ' 76' ' ' ARG . 80.4 mmt-85 -131.17 24.75 4.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 122.138 -0.351 . . . . 71.14 110.682 -179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -70.96 -2.81 16.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.083 -0.508 . . . . 74.12 111.937 -172.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -87.02 -28.27 22.72 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.286 -0.259 . . . . 64.45 111.496 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -107.43 -25.19 11.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.89 0.376 . . . . 72.41 110.688 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.65 124.82 88.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.206 -0.664 . . . . 71.55 109.206 174.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD3' ' HB1' ' A' ' 116' ' ' ALA . 51.3 Cg_exo -54.67 147.94 47.14 Favored 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.239 2.626 . . . . 72.31 113.131 -175.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.03 72.43 2.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.712 -0.676 . . . . 44.54 110.583 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -134.86 141.22 46.3 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.485 -0.779 . . . . 62.45 109.541 178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -81.02 129.93 34.77 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.063 -0.517 . . . . 63.21 110.605 -177.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -139.36 153.81 47.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 63.32 110.651 -178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.594 HG12 ' HA3' ' A' ' 48' ' ' GLY . 31.4 m -115.58 144.2 23.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 63.34 110.894 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.95 110.89 30.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.442 -0.577 . . . . 75.43 109.442 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.8 t -100.07 115.39 41.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.924 0.392 . . . . 75.44 111.086 -175.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -86.42 124.56 32.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.008 -0.542 . . . . 41.3 110.03 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 31' ' ' PRO . 34.4 mmtp -92.85 175.99 6.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.502 . . . . 64.04 111.13 -175.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.574 ' HB3' ' HA ' ' A' ' 55' ' ' ASN . 20.4 pttt -73.0 105.38 4.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.468 -0.787 . . . . 65.32 111.124 -179.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 152.08 -30.39 0.89 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.396 -0.82 . . . . 74.52 111.808 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.45 -25.85 37.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 N-CA-C 111.845 0.313 . . . . 75.24 111.845 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HB2' HG13 ' A' ' 56' ' ' VAL . . . -75.96 -18.21 59.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.96 0.409 . . . . 64.24 111.77 -177.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -112.93 22.07 14.81 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.761 0.791 . . . . 72.13 110.145 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.9 mt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.58 -0.736 . . . . 63.33 110.682 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 10.1 t70 -93.69 149.55 21.13 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 61.43 110.684 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.2 m-20 -62.85 -37.29 86.25 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.141 0.422 . . . . 72.53 112.141 -177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -78.31 -30.72 48.43 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.4 -0.592 . . . . 71.12 109.4 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.81 -30.23 71.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.632 -0.713 . . . . 52.42 110.461 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 98.5 mt -65.59 -32.57 74.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.975 -0.557 . . . . 55.21 110.279 176.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.3 t -71.77 -35.92 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 72.23 109.893 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -68.67 -37.44 79.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.889 -0.596 . . . . 72.4 110.424 178.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -81.83 -22.12 37.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.801 -0.636 . . . . 53.44 111.191 -178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.537 HD23 HD11 ' A' ' 68' ' ' LEU . 3.1 tm? -56.29 -44.76 80.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.317 -0.401 . . . . 73.35 110.861 -177.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -68.56 -21.23 64.55 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.524 -0.307 . . . . 62.23 111.563 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 28.9 mmmt -72.54 -59.98 2.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.677 0.275 . . . . 74.15 110.84 -173.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.573 HD12 HD11 ' A' ' 35' ' ' ILE . 2.6 pt? -72.73 -28.41 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.578 -0.283 . . . . 74.04 110.669 -177.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 54.4 t90 -69.17 -50.06 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.446 -0.343 . . . . 70.21 110.522 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -70.73 -32.12 69.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.715 0.293 . . . . 73.23 110.738 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.577 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 21.8 tpp180 -61.76 -35.44 78.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 63.33 109.854 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -81.96 -17.49 46.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 74.4 110.625 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 71.3 m -71.99 -39.61 69.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.559 -0.534 . . . . 71.24 109.559 174.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -61.56 -55.71 27.86 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.538 -0.756 . . . . 72.41 109.888 174.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 18.4 tp -79.83 63.05 4.26 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.844 0.831 . . . . 73.34 109.773 178.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.445 ' HB1' ' HD3' ' A' ' 81' ' ' PRO . . . -165.01 -35.72 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.466 -1.243 . . . . 40.21 109.239 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.49 ' NE ' ' HA ' ' A' ' 117' ' ' ARG . 4.7 mmp_? -100.86 -17.98 16.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.604 -0.726 . . . . 74.53 110.402 175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -153.3 -171.6 20.71 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 121.008 -0.615 . . . . 74.55 112.183 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 C--O 1.245 0.866 0 CA-C-O 118.554 -0.736 . . . . 54.14 110.069 179.858 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 ppp? . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 121.003 0.43 . . . . 74.1 110.45 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.29 -30.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-N 115.71 -0.677 . . . . 72.11 109.66 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -95.16 128.98 42.42 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.014 -0.539 . . . . 73.44 109.801 179.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.417 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 8.7 mp -67.79 125.71 27.1 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.957 -0.386 . . . . 74.11 109.957 178.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.21 89.36 3.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.965 -0.561 . . . . 72.45 111.631 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -85.27 123.49 73.11 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 109.107 -0.701 . . . . 64.4 109.107 171.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -50.26 111.16 0.47 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 123.133 2.555 . . . . 63.43 112.729 -176.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -67.57 -11.06 57.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.502 -0.772 . . . . 75.3 110.006 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -64.43 -39.53 94.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.88 -1.055 . . . . 61.44 109.245 172.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HG ' ' HG3' ' A' ' 11' ' ' ARG . 52.7 tp -89.25 -68.67 0.76 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.683 -0.69 . . . . 72.43 109.92 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.427 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 53.2 mtm-85 -141.84 144.1 33.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.028 -0.533 . . . . 71.52 109.735 178.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.04 130.12 35.01 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.732 -0.47 . . . . 75.11 109.732 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 pp -63.19 156.59 24.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.049 -0.523 . . . . 70.24 110.854 178.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 5.4 p -115.75 140.02 25.58 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 116.401 -0.363 . . . . 71.44 111.129 -176.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 16.4 Cg_exo -69.27 -3.24 11.29 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.08 2.52 . . . . 74.33 111.998 178.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.4 ' HB2' ' OG1' ' A' ' 19' ' ' THR . 19.0 m -92.71 114.32 26.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.626 -0.716 . . . . 74.11 110.051 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -65.24 -22.48 66.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.733 0.302 . . . . 61.2 111.229 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 93.9 t80 -64.4 -42.98 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 74.02 110.687 177.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.4 ' OG1' ' HB2' ' A' ' 16' ' ' SER . 11.2 p -86.71 -16.81 35.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.405 -0.362 . . . . 51.34 111.111 -178.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -66.3 -50.51 63.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.907 -0.588 . . . . 72.43 110.067 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.42 -9.15 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 64.41 110.876 178.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' HA ' ' HG3' ' A' ' 25' ' ' PRO . 17.6 t80 -84.86 -0.7 54.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.055 -0.521 . . . . 73.0 110.42 -177.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -62.81 -38.88 92.45 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.223 0.535 . . . . 61.12 109.831 174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -155.47 77.44 4.79 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.643 -0.873 . . . . 64.51 108.643 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.595 ' HG3' ' HA ' ' A' ' 22' ' ' PHE . 11.5 Cg_exo -68.73 118.4 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.833 2.355 . . . . 63.24 113.51 -169.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -85.63 121.71 28.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.651 -0.704 . . . . 71.43 109.48 172.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.522 ' HG2' HG23 ' A' ' 34' ' ' THR . 6.0 tmm_? -94.99 100.63 12.44 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.119 -0.492 . . . . 73.14 110.428 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 35' ' ' ILE . . . -119.45 99.23 6.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.943 -0.571 . . . . 72.05 109.799 175.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 166.7 -146.3 10.75 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.846 -0.692 . . . . 62.42 111.796 -177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.552 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 48.5 p -127.36 169.32 12.52 Favored Pre-proline 0 C--N 1.321 -0.639 0 N-CA-C 110.513 -0.18 . . . . 75.13 110.513 -178.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 48.4 Cg_endo -71.44 0.68 6.48 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.095 1.864 . . . . 63.51 111.466 170.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -97.02 -41.4 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.552 -0.749 . . . . 74.34 109.558 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.8 tt -144.22 119.35 3.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 74.44 109.645 174.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.522 HG23 ' HG2' ' A' ' 27' ' ' ARG . 32.7 m -110.66 114.26 27.51 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.098 -0.501 . . . . 75.23 111.449 -172.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.428 HG13 HG13 ' A' ' 87' ' ' VAL . 4.0 mp -93.91 115.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.127 -0.488 . . . . 53.13 109.814 176.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HB2' HG13 ' A' ' 86' ' ' VAL . 98.0 mt -104.04 112.53 25.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.283 -0.417 . . . . 72.21 109.971 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.04 116.26 1.36 Allowed Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.449 -0.882 . . . . 73.45 112.845 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -145.19 82.62 1.66 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.545 -0.539 . . . . 72.22 109.545 176.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.591 ' HG ' ' H ' ' A' ' 40' ' ' ASN . 9.5 tp -150.09 -165.54 2.3 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.272 -0.64 . . . . 74.23 109.272 -178.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.591 ' H ' ' HG ' ' A' ' 39' ' ' LEU . 37.5 t-20 -108.35 136.23 48.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.744 -0.465 . . . . 63.32 109.744 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 m -76.81 78.98 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.274 0.559 . . . . 73.42 110.494 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.7 mt -81.36 -19.13 43.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.696 . . . . 61.43 111.371 -176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.562 ' O ' ' HD3' ' A' ' 45' ' ' PRO . . . 113.34 -5.03 25.04 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.647 -0.787 . . . . 61.41 111.181 -175.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -96.4 98.47 4.26 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.405 -0.591 . . . . 73.4 109.405 177.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 30.5 Cg_endo -93.14 103.26 0.16 Allowed 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 122.921 2.414 . . . . 65.1 112.529 -178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -113.67 108.95 17.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.298 -0.41 . . . . 71.4 110.097 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.55 HD11 ' HB ' ' A' ' 69' ' ' THR . 3.4 tt -87.42 99.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.77 0.795 . . . . 61.31 110.473 -178.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.19 71.56 2.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.774 -0.727 . . . . 25.2 112.616 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.444 HD13 HG21 ' A' ' 69' ' ' THR . 58.7 tp -67.38 118.39 10.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.839 0.352 . . . . 63.1 110.661 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.0 m -114.43 110.09 19.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.997 0.427 . . . . 63.11 110.768 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.8 t -128.84 143.44 41.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 70.04 109.866 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -124.42 -178.29 4.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.745 -0.207 . . . . 74.45 110.69 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.631 ' HG2' HH21 ' A' ' 62' ' ' ARG . 46.7 mtpt -90.1 -15.47 31.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.826 0.346 . . . . 74.11 110.576 177.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -74.42 -23.69 58.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.467 -0.333 . . . . 72.42 111.156 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 91' ' ' LYS . 23.2 p-10 -105.07 -48.85 3.62 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.677 0.275 . . . . 74.14 110.297 176.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -101.91 87.48 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.279 0.562 . . . . 74.2 109.875 176.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -93.56 10.76 31.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.079 -0.509 . . . . 62.04 110.93 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.1 mpt_? -101.57 104.21 15.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 73.31 109.584 173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.45 -31.59 72.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.947 -0.569 . . . . 51.52 111.657 -174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -68.2 -25.35 65.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.056 0.455 . . . . 71.13 110.75 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -93.72 9.74 35.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.223 -0.444 . . . . 61.4 111.172 -175.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.631 HH21 ' HG2' ' A' ' 53' ' ' LYS . 14.7 mmt180 -63.76 -39.58 94.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.992 0.425 . . . . 71.4 110.656 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -67.49 -27.08 66.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.545 -0.752 . . . . 63.3 110.336 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -60.64 -52.01 66.97 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.775 -0.648 . . . . 73.54 110.988 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 22.3 mm -62.38 -39.62 84.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.516 -0.765 . . . . 51.51 110.865 -173.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -57.52 -57.08 14.26 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.102 -0.239 . . . . 72.23 111.111 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 70' ' ' ARG . 49.3 mtp180 -67.69 -29.55 68.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.521 -0.309 . . . . 70.31 111.589 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.77 -41.51 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.094 -0.706 . . . . 74.42 109.094 177.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.55 ' HB ' HD11 ' A' ' 47' ' ' ILE . 31.6 p -91.12 0.19 57.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.809 -0.632 . . . . 71.43 111.638 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.629 ' O ' ' HG3' ' A' ' 74' ' ' ARG . 11.3 tpp180 -90.74 -67.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.456 -0.338 . . . . 72.2 110.203 -178.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.24 -15.66 48.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.77 -0.65 . . . . 72.23 112.154 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.0 p -84.59 -63.71 1.29 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.855 0.36 . . . . 71.04 110.949 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.622 ' HD2' HD22 ' A' ' 80' ' ' LEU . 77.5 m-85 -65.74 -34.01 77.21 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.301 0.852 . . . . 53.23 113.301 -172.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.629 ' HG3' ' O ' ' A' ' 70' ' ' ARG . 4.7 ppt_? -92.44 -5.42 51.98 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 120.333 -0.547 . . . . 72.31 112.172 -174.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 75' ' ' LEU . 52.0 mt -107.42 -45.49 4.07 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.844 -0.343 . . . . 73.43 110.77 177.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.715 ' HG3' ' HB2' ' A' ' 79' ' ' GLU . 3.3 tpm_? -95.32 54.22 1.6 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.666 0.745 . . . . 75.21 109.26 178.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -19.46 65.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.315 -0.857 . . . . 64.41 111.944 -174.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -81.77 3.34 26.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.664 0.269 . . . . 65.21 111.156 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.715 ' HB2' ' HG3' ' A' ' 76' ' ' ARG . 0.7 OUTLIER -108.84 3.34 22.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.246 0.546 . . . . 63.32 109.57 174.067 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.622 HD22 ' HD2' ' A' ' 73' ' ' PHE . 54.9 tp -127.51 118.36 21.46 Favored Pre-proline 0 N--CA 1.449 -0.508 0 CA-C-N 115.617 -0.72 . . . . 74.34 111.45 -174.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.511 ' HD2' ' HE1' ' A' ' 112' ' ' HIS . 19.1 Cg_endo -62.68 110.57 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.249 1.966 . . . . 53.22 110.297 170.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.14 95.14 0.27 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.11 0.481 . . . . 44.31 111.765 -176.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.429 ' HB2' ' HB3' ' A' ' 39' ' ' LEU . 25.3 ptt? -150.84 176.69 10.83 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.218 -0.901 . . . . 75.41 109.486 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -86.14 117.46 24.98 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.004 -0.739 . . . . 71.43 109.004 173.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -141.5 160.99 38.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.666 0.269 . . . . 72.21 110.662 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.44 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -111.97 134.05 55.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.236 0.541 . . . . 73.52 111.122 -177.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.428 HG13 HG13 ' A' ' 35' ' ' ILE . 46.8 t -109.59 107.33 22.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.821 -0.627 . . . . 53.12 109.624 177.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.8 110.63 24.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.918 0.39 . . . . 70.42 110.509 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.48 126.88 33.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.143 -0.481 . . . . 53.1 109.951 177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -90.91 -170.48 2.69 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.208 -0.664 . . . . 72.31 109.208 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 55' ' ' ASN . 27.0 ttpp -92.9 104.36 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.426 -0.583 . . . . 74.42 109.426 176.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.65 -37.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.46 -0.656 . . . . 73.52 111.46 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 7.1 p -85.8 8.11 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.628 0.728 . . . . 63.5 110.164 179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.34 24.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.756 -0.656 . . . . 65.41 110.969 -177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.92 101.96 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.121 -0.49 . . . . 65.12 110.543 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 74.4 mt -144.91 169.68 17.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.872 -0.603 . . . . 73.31 109.849 179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -75.82 161.63 28.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.376 -0.375 . . . . 73.44 110.144 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -60.68 -41.78 95.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.117 -0.492 . . . . 71.5 111.124 -175.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.405 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 13.0 ttm180 -79.18 -32.19 44.07 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.912 -0.315 . . . . 53.34 110.685 178.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.0 -49.3 77.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 60.41 111.4 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.57 -17.15 61.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.918 0.389 . . . . 71.12 110.938 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 t -78.95 -45.05 21.22 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.42 110.209 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 10.8 pt-20 -73.68 -26.51 60.77 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.596 0.236 . . . . 73.23 110.702 179.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.45 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -57.56 -31.84 66.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.078 0.466 . . . . 54.14 110.654 176.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.47 -37.79 77.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 72.21 111.09 179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.548 ' HG3' ' O ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -73.08 -23.47 60.54 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.621 -0.432 . . . . 74.42 110.073 -178.541 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 22.4 mmmt -64.82 -44.41 89.94 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.215 -0.661 . . . . 64.4 109.215 175.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 83.1 mt -67.56 -49.33 63.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.327 -0.851 . . . . 65.3 110.36 177.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.447 ' CD1' ' HG2' ' A' ' 79' ' ' GLU . 32.6 t90 -59.25 -56.16 25.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 73.31 111.96 -176.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -61.29 -32.58 72.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.641 -0.254 . . . . 72.01 111.555 -173.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 111' ' ' ARG . 25.4 tpt180 -83.03 -39.97 20.55 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.801 -0.36 . . . . 71.43 110.548 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.511 ' HE1' ' HD2' ' A' ' 81' ' ' PRO . 21.2 t-80 -66.64 -35.93 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 63.42 110.184 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 52.7 t -57.18 -51.7 68.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.041 -0.527 . . . . 64.35 110.741 177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.62 ' HB3' ' OXT' ' A' ' 119' ' ' SER . 10.4 mmm180 -60.76 -52.27 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.956 -0.566 . . . . 60.34 111.131 -178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 34.6 tp -68.06 -33.63 74.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.805 -0.634 . . . . 74.22 111.969 -173.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.8 64.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.739 0.304 . . . . 72.33 111.475 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -87.68 -37.5 16.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.517 -0.31 . . . . 75.21 110.659 -179.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.86 -80.23 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.391 -0.909 . . . . 71.14 112.88 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.62 ' OXT' ' HB3' ' A' ' 114' ' ' ARG . 21.1 t . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.658 -0.687 . . . . 71.24 109.534 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ptt? . . . . . 0 N--CA 1.484 1.249 0 CA-C-O 120.753 0.311 . . . . 63.14 110.83 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.9 t -78.91 107.07 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.906 0.384 . . . . 63.21 111.291 -175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -102.16 -37.85 7.95 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.411 -0.589 . . . . 70.44 109.411 171.26 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.2 109.9 15.53 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.085 -0.507 . . . . 74.54 109.841 174.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.91 88.64 7.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.994 0.425 . . . . 53.54 110.301 178.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -109.78 166.16 11.3 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.571 -0.741 . . . . 73.3 109.571 178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.64 102.97 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.525 2.15 . . . . 74.51 112.515 178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 8' ' ' ARG . 17.0 ptt180 -71.49 -14.66 62.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.407 -0.815 . . . . 63.41 110.644 -178.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' A' ' 9' ' ' GLU . 8.6 pt-20 -78.62 -25.6 45.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.44 -0.8 . . . . 54.03 110.63 177.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.6 mt -98.83 -36.45 9.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 74.21 110.685 -178.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -131.88 143.45 50.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.368 -0.378 . . . . 74.23 110.467 179.38 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -89.87 176.55 6.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.235 -0.439 . . . . 71.42 110.163 177.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.0 tp -75.04 88.88 2.41 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.136 0.493 . . . . 73.21 110.993 -177.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.5 p -112.54 102.02 53.6 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.86 -0.609 . . . . 60.14 110.081 174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.76 0.27 9.78 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.708 2.272 . . . . 65.42 112.95 -176.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -67.27 137.47 56.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.656 177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -55.28 -35.49 65.11 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.958 0.355 . . . . 75.32 111.958 -177.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -79.65 3.93 17.64 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.354 0.501 . . . . 74.34 112.354 -173.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 18.4 m -143.57 -30.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.372 -0.531 . . . . 61.04 112.378 -179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -57.12 -46.66 82.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.021 0.439 . . . . 75.14 111.049 -178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.42 ' O ' HG22 ' A' ' 21' ' ' VAL . 10.3 p -96.49 7.06 7.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.481 0.657 . . . . 54.41 110.602 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -85.5 16.11 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.136 -0.484 . . . . 72.12 111.094 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.1 mm-40 -70.32 -71.61 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.178 -0.675 . . . . 74.55 109.178 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -146.28 74.78 12.82 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.073 -0.967 . . . . 75.12 108.794 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HB2' ' HB3' ' A' ' 36' ' ' LEU . 58.0 Cg_endo -70.83 139.61 36.88 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.36 2.04 . . . . 64.3 112.042 -175.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -67.43 107.27 2.39 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.825 -0.435 . . . . 63.05 109.825 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -71.13 99.04 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.192 -0.67 . . . . 75.4 109.192 179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -117.06 -176.24 2.95 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.276 -0.42 . . . . 43.13 110.529 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.775 ' H ' ' HG2' ' A' ' 111' ' ' ARG . . . 89.64 -130.36 10.17 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.848 -0.691 . . . . 63.45 112.044 179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.463 ' HB ' ' HD2' ' A' ' 31' ' ' PRO . 40.3 p -133.42 170.49 11.22 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 110.303 -0.258 . . . . 64.44 110.303 -178.079 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 30' ' ' THR . 30.5 Cg_exo -62.86 -26.51 74.62 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.476 2.117 . . . . 73.41 112.395 174.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.0 -55.56 4.87 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.04 0.447 . . . . 74.04 110.616 178.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.0 tt -121.15 115.74 47.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.558 0.694 . . . . 73.13 110.204 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.4 m -105.32 128.53 53.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.599 -0.728 . . . . 75.31 111.872 -172.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 35' ' ' ILE . 3.3 mp -103.83 126.95 58.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 109.356 -0.609 . . . . 75.55 109.356 177.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.681 ' HB2' HG13 ' A' ' 86' ' ' VAL . 91.2 mt -107.47 124.05 49.31 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.919 -0.4 . . . . 75.11 109.919 178.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -137.54 133.5 6.45 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 119.989 -1.1 . . . . 71.34 113.773 -177.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.547 ' H ' HD12 ' A' ' 39' ' ' LEU . 21.1 ttm-85 -179.64 73.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 123.719 0.807 . . . . 64.33 109.323 170.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 83' ' ' MET . 5.5 mp -138.45 159.74 41.32 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.367 -0.379 . . . . 74.42 110.117 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -160.43 165.54 30.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.514 -0.55 . . . . 74.3 109.514 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 65.41 15.75 10.18 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 123.607 0.567 . . . . 63.42 111.399 179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.409 HD12 ' H ' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -89.54 -66.74 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.009 -0.367 . . . . 72.31 110.009 -177.321 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.619 ' HA2' ' HB1' ' A' ' 82' ' ' ALA . . . 91.86 -12.82 68.46 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.703 -0.76 . . . . 74.41 113.266 177.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.409 ' H ' HD12 ' A' ' 42' ' ' LEU . 40.3 m80 -127.93 98.36 27.64 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.962 0.381 . . . . 64.14 110.932 -178.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HA ' ' HA ' ' A' ' 84' ' ' ASP . 5.9 Cg_exo -79.18 137.99 13.92 Favored 'Trans proline' 0 C--O 1.237 0.462 0 C-N-CA 123.109 2.54 . . . . 73.12 112.158 176.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt180 -118.55 -171.97 2.19 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.715 -0.476 . . . . 74.34 109.715 173.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.469 ' O ' HG23 ' A' ' 47' ' ' ILE . 5.5 tt -124.58 86.13 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.927 0.87 . . . . 75.44 110.039 176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 62.62 4.3 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.659 -0.781 . . . . 74.35 112.565 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.794 HD23 ' HD2' ' A' ' 66' ' ' LYS . 49.8 tp -71.76 109.79 5.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.236 0.541 . . . . 64.04 110.395 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.3 m -100.21 103.32 14.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.556 -0.747 . . . . 74.02 110.385 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.89 115.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.841 -0.618 . . . . 52.3 110.28 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -105.4 178.24 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.797 -0.638 . . . . 45.4 111.278 -176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -71.53 1.7 6.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.838 -0.619 . . . . 64.5 111.425 -178.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -112.92 1.96 15.66 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.286 0.565 . . . . 73.3 110.174 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -109.93 -28.05 8.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.768 -0.827 . . . . 65.14 108.768 175.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.695 HG23 ' HB2' ' A' ' 94' ' ' ALA . 8.0 p -128.38 153.48 37.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 114.507 -1.224 . . . . 63.13 108.78 179.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -99.17 -49.12 4.6 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.666 -0.414 . . . . 73.02 111.437 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.681 ' HB2' ' HG3' ' A' ' 61' ' ' GLU . 76.4 mtt180 -99.48 148.54 24.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.879 0.371 . . . . 74.31 111.031 -178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.83 85.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.159 -0.473 . . . . 72.03 110.398 175.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -61.11 -41.17 96.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.878 -0.601 . . . . 73.32 111.226 177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.681 ' HG3' ' HB2' ' A' ' 58' ' ' ARG . 61.7 mt-10 -65.72 -36.82 84.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.016 0.436 . . . . 75.25 110.209 178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.53 ' HB2' HG11 ' A' ' 56' ' ' VAL . 35.6 ttt180 -64.34 -50.27 68.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.876 -0.602 . . . . 72.03 110.592 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -66.6 -28.32 68.41 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.934 -0.576 . . . . 74.45 110.556 179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 61' ' ' GLU . 26.8 tpt180 -58.07 -46.69 85.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.621 -0.718 . . . . 65.53 110.268 175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.0 mm -73.56 -34.16 41.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 115.978 -0.555 . . . . 73.44 110.553 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.794 ' HD2' HD23 ' A' ' 49' ' ' LEU . 23.5 mmmt -56.23 -51.58 67.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.662 -0.699 . . . . 75.13 112.076 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 18.3 mtp180 -80.33 -27.75 38.29 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 121.008 -0.277 . . . . 73.01 111.326 -175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.78 -52.38 64.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 61.13 110.005 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.7 p -67.28 -44.45 79.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.965 -0.561 . . . . 73.25 111.438 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 47' ' ' ILE . 21.9 ttt180 -60.9 -28.43 68.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 72.32 111.6 -175.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.3 -45.06 81.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.065 -0.516 . . . . 72.14 111.182 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 92.2 p -63.71 -33.24 75.2 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.313 -0.403 . . . . 71.03 111.836 -173.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -64.9 -26.62 68.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.797 0.332 . . . . 72.53 111.59 -178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -87.5 -9.43 54.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.14 0.495 . . . . 74.43 111.088 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.7 tp -107.99 -47.86 3.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.067 0.46 . . . . 70.45 111.476 -177.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HD3' ' CE3' ' A' ' 109' ' ' TRP . 56.0 mtt85 -105.94 50.37 0.78 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.231 0.539 . . . . 72.05 110.813 -172.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.49 -14.49 35.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.388 -0.824 . . . . 75.32 111.945 -175.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -79.03 -18.67 53.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.96 -0.296 . . . . 73.1 111.324 -179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' HG3' ' CH2' ' A' ' 109' ' ' TRP . 19.5 mm-40 -97.0 24.4 6.29 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.404 . . . . 74.31 111.434 -176.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.541 ' HB3' ' NE2' ' A' ' 112' ' ' HIS . 4.1 pp -137.97 149.92 65.69 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.466 -0.334 . . . . 71.25 110.851 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.545 ' HG2' ' HG2' ' A' ' 83' ' ' MET . 74.4 Cg_endo -76.97 164.94 29.13 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.655 2.237 . . . . 74.21 111.567 175.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.619 ' HB1' ' HA2' ' A' ' 43' ' ' GLY . . . -77.51 61.78 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.373 0.606 . . . . 75.24 111.514 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.58 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 24.6 ptt? -132.72 167.33 20.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.744 -0.662 . . . . 63.4 109.369 177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.529 ' HA ' ' HA ' ' A' ' 45' ' ' PRO . 45.5 t0 -85.83 157.72 20.14 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 123.144 0.278 . . . . 73.54 110.394 -176.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -132.75 118.93 19.66 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.076 0.465 . . . . 74.42 111.614 -175.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.681 HG13 ' HB2' ' A' ' 36' ' ' LEU . 6.9 p -103.25 124.43 57.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.008 -0.542 . . . . 64.13 109.581 173.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.0 t -117.73 113.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.124 -0.489 . . . . 71.45 110.32 -174.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.9 t -103.48 123.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 120.857 0.361 . . . . 72.3 110.643 -176.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.13 137.56 32.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.195 -0.457 . . . . 64.22 110.102 178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.606 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 11.0 mmpt? -91.68 171.38 9.2 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.779 0.323 . . . . 65.01 110.797 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -67.4 118.77 11.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.99 -0.55 . . . . 75.54 110.15 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.82 -0.36 21.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.434 -0.889 . . . . 51.33 112.474 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 11.1 p -64.11 -18.88 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-O 121.303 0.573 . . . . 64.14 110.921 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.695 ' HB2' HG23 ' A' ' 56' ' ' VAL . . . -72.64 -22.56 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.662 -0.699 . . . . 53.42 111.574 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.74 72.97 6.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.196 0.522 . . . . 55.24 110.617 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.1 mt -139.99 122.27 15.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.675 -0.693 . . . . 73.04 110.566 178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.493 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 28.5 t70 -74.32 152.19 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.901 -179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -54.12 -36.46 63.28 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.092 -0.504 . . . . 73.31 111.811 -178.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -74.3 -44.31 53.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.031 0.443 . . . . 72.13 110.316 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.7 -16.45 63.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.789 -0.641 . . . . 62.14 111.778 -176.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 97' ' ' ASP . 70.6 mt -55.97 -47.95 76.72 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.669 0.271 . . . . 75.34 111.026 178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.9 t -72.36 -27.28 62.3 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.96 0.409 . . . . 63.13 110.567 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -70.82 -46.3 63.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.182 0.515 . . . . 75.12 110.012 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.72 -30.31 62.76 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.852 -0.613 . . . . 61.43 111.155 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.424 HD13 ' O ' ' A' ' 105' ' ' LEU . 2.5 tm? -63.19 -37.35 86.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.328 -0.396 . . . . 73.52 110.898 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.506 ' OE2' ' HD2' ' A' ' 107' ' ' LYS . 0.6 OUTLIER -67.75 -20.37 65.22 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.876 -0.329 . . . . 71.24 110.684 -176.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.506 ' HD2' ' OE2' ' A' ' 106' ' ' GLU . 22.5 mmmt -65.96 -39.66 90.6 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 109.231 -0.655 . . . . 60.45 109.231 176.693 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.57 -40.6 80.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.444 -0.798 . . . . 74.34 110.126 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.499 ' CH2' ' HG3' ' A' ' 79' ' ' GLU . 47.2 t-105 -57.41 -52.1 66.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.11 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -62.74 -39.64 94.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.948 -0.569 . . . . 73.34 111.38 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.775 ' HG2' ' H ' ' A' ' 29' ' ' GLY . 24.7 tpp180 -66.55 -46.08 77.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.094 0.473 . . . . 73.5 110.184 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . 0.541 ' NE2' ' HB3' ' A' ' 80' ' ' LEU . 47.0 t-80 -63.84 -42.13 97.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.21 -0.904 . . . . 71.13 111.524 -176.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 36.4 t -65.13 -33.9 77.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.274 -0.421 . . . . 64.35 111.436 -175.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -92.92 -14.35 27.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.783 0.29 . . . . 54.11 111.783 -178.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 51.7 tp -63.8 -42.9 97.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.982 0.42 . . . . 75.11 110.943 -176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.42 7.66 9.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.261 -0.427 . . . . 51.34 111.388 -178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -137.16 21.44 3.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.125 -0.489 . . . . 75.43 110.775 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -110.84 116.83 4.41 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.66 -0.7 . . . . 75.51 111.765 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.326 -0.845 . . . . 70.24 109.825 -179.593 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.706 0.289 . . . . 72.04 110.428 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.8 t -128.88 136.36 59.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.275 -0.421 . . . . 73.34 110.309 -178.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -144.92 -157.0 0.75 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.049 -0.352 . . . . 74.22 110.049 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.5 ' H ' HD22 ' A' ' 4' ' ' LEU . 2.8 mm? -63.56 -17.3 62.68 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.904 0.383 . . . . 73.44 111.528 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.04 149.74 47.64 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.567 -0.531 . . . . 64.22 109.567 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.614 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 82.1 m-85 -92.28 146.15 32.05 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-O 120.861 0.363 . . . . 74.41 110.816 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -63.04 -26.57 73.64 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.602 2.201 . . . . 72.21 112.196 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -96.07 11.67 33.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.069 0.461 . . . . 74.32 110.206 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.614 ' HB2' ' HB2' ' A' ' 6' ' ' PHE . 20.7 tt0 -108.6 -18.11 13.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.844 -0.616 . . . . 71.41 111.04 -176.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 19.9 tp -81.43 25.64 0.5 Allowed 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.213 0.53 . . . . 73.23 112.105 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mpt_? -111.82 107.71 16.86 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.98 0.419 . . . . 72.22 110.396 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.452 HD13 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.5 162.3 36.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.899 -0.591 . . . . 65.33 110.017 179.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt -115.92 138.11 51.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.519 -0.309 . . . . 71.23 110.41 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.9 p 60.27 164.13 0.1 OUTLIER Pre-proline 0 N--CA 1.47 0.55 0 C-N-CA 124.248 1.019 . . . . 73.04 112.321 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -68.16 91.89 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.246 1.964 . . . . 44.15 112.114 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.3 t -139.31 116.78 11.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.097 -0.502 . . . . 71.22 110.464 178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -99.07 -14.13 19.55 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.943 -0.571 . . . . 75.1 109.507 175.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' HD1' HG21 ' A' ' 86' ' ' VAL . 85.5 t80 -60.14 -52.68 64.28 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.579 -0.737 . . . . 75.02 110.891 178.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -74.3 -16.48 60.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.197 0.522 . . . . 63.22 110.844 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -82.72 -42.31 18.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.275 -0.421 . . . . 71.24 110.432 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.37 -18.85 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.987 0.422 . . . . 72.12 110.34 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -71.28 -12.99 61.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.866 -0.607 . . . . 73.43 111.127 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.74 -36.04 82.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.184 0.516 . . . . 73.23 110.109 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -153.88 81.47 4.74 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 109.063 -0.717 . . . . 73.12 109.063 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -85.94 122.54 2.25 Favored 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.652 2.235 . . . . 73.14 112.581 -175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -99.44 114.28 27.13 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.534 -0.543 . . . . 71.23 109.534 177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -88.07 109.6 19.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.793 -0.639 . . . . 71.13 109.865 -176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -134.29 114.96 13.56 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.029 -0.532 . . . . 61.43 110.335 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.18 -159.9 27.96 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.681 -0.771 . . . . 63.45 112.275 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.504 HG22 ' HD2' ' A' ' 31' ' ' PRO . 1.0 OUTLIER -74.25 145.32 82.83 Favored Pre-proline 0 C--N 1.323 -0.584 0 C-N-CA 122.451 0.3 . . . . 63.02 110.357 -179.143 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.504 ' HD2' HG22 ' A' ' 30' ' ' THR . 28.4 Cg_exo -62.89 -45.44 13.16 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.62 2.213 . . . . 74.35 112.692 177.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.629 HE21 HD11 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -59.46 -47.01 87.12 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.979 0.419 . . . . 73.23 111.154 -178.378 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 6.4 tt -108.73 94.83 3.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.509 0.671 . . . . 63.45 109.287 177.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 m -85.79 109.49 18.7 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.717 -0.674 . . . . 73.52 111.825 -171.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.77 106.14 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.062 -0.517 . . . . 74.14 109.827 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.96 111.78 23.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 74.14 109.525 177.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.66 164.79 20.96 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.274 -0.965 . . . . 62.14 112.553 -177.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -151.67 139.6 20.0 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.712 -0.477 . . . . 73.34 109.712 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.3 tp -83.48 88.24 7.0 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.289 -0.634 . . . . 70.03 109.289 175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -102.72 170.12 8.2 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.714 -0.675 . . . . 64.04 110.237 -177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -74.37 -13.27 60.71 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.045 0.45 . . . . 74.32 110.315 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.79 -59.83 2.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 75.03 110.044 173.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.558 ' HA3' ' HB1' ' A' ' 82' ' ' ALA . . . 58.17 54.1 40.27 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.133 -0.555 . . . . 64.11 112.059 176.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.439 ' H ' ' HB3' ' A' ' 84' ' ' ASP . 82.4 t60 -95.33 101.97 8.71 Favored Pre-proline 0 C--N 1.323 -0.556 0 CA-C-O 120.601 0.239 . . . . 75.0 110.382 -176.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.525 ' HD3' ' O ' ' A' ' 43' ' ' GLY . 6.6 Cg_exo -72.67 89.54 0.85 Allowed 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.847 2.365 . . . . 74.44 112.032 -176.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.497 ' NE ' ' HA ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -153.48 142.45 21.23 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.103 -0.703 . . . . 72.23 109.103 177.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.487 HD11 ' HB ' ' A' ' 69' ' ' THR . 13.7 tt -87.25 136.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.067 0.46 . . . . 54.34 110.863 -176.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -127.84 99.39 0.51 Allowed Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.941 -0.647 . . . . 64.32 111.504 176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.547 HD13 HG21 ' A' ' 69' ' ' THR . 59.9 tp -87.53 109.51 19.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.181 0.515 . . . . 73.31 111.245 -177.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -103.24 87.17 2.82 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.11 -0.7 . . . . 75.33 109.11 174.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.6 p -94.62 120.17 43.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.591 -0.731 . . . . 53.43 110.924 -177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.74 116.84 16.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.943 -0.571 . . . . 43.15 109.701 176.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -65.66 -12.75 56.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.003 -0.544 . . . . 63.21 111.829 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.37 -11.38 49.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.771 0.319 . . . . 75.35 110.757 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -93.72 -9.88 36.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.873 0.368 . . . . 62.32 110.981 -178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.578 HG11 ' HB2' ' A' ' 62' ' ' ARG . 44.2 t -100.69 151.69 5.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.943 -0.571 . . . . 70.53 110.012 -178.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HG2' ' HG2' ' A' ' 58' ' ' ARG . 62.4 ttt-85 -56.83 -64.57 0.83 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.484 0.49 . . . . 63.21 111.94 -177.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' HG2' ' HG2' ' A' ' 57' ' ' ARG . 28.0 mmt180 -137.88 -69.61 0.45 Allowed 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.076 0.398 . . . . 72.43 112.076 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -166.01 -50.43 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.505 -0.316 . . . . 71.13 111.332 -171.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -61.26 -30.98 70.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.449 0.642 . . . . 72.12 109.951 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.527 ' HB3' ' HB1' ' A' ' 94' ' ' ALA . 20.4 mp0 -76.64 -24.97 53.32 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.009 -0.996 . . . . 73.31 110.38 -176.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.578 ' HB2' HG11 ' A' ' 56' ' ' VAL . 38.3 ttp180 -76.07 -35.82 59.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.556 . . . . 72.01 110.501 -176.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -68.35 -30.9 69.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.053 -0.521 . . . . 72.34 110.085 176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -60.8 -37.11 80.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 72.0 110.111 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.0 mm -68.36 -40.44 82.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-N 115.928 -0.578 . . . . 74.01 110.462 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -65.42 -27.41 68.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.937 -0.574 . . . . 74.41 110.71 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -74.3 -52.95 10.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.023 -0.535 . . . . 72.21 110.612 175.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.99 -50.77 65.83 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.002 -0.544 . . . . 70.14 110.731 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.547 HG21 HD13 ' A' ' 49' ' ' LEU . 13.6 p -62.67 -54.87 32.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.227 -0.442 . . . . 62.02 112.035 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -78.61 9.97 3.62 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.747 0.647 . . . . 74.23 112.747 -176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -111.25 -45.53 3.41 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.872 -0.418 . . . . 62.54 109.872 174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.7 p -68.91 -48.25 63.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.235 -0.438 . . . . 74.54 110.9 179.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.35 15.78 2.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 72.15 111.129 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -111.25 -32.04 6.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.085 0.469 . . . . 65.02 109.882 174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.1 tp -70.06 -30.15 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.9 -0.591 . . . . 62.22 109.934 177.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 76' ' ' ARG . 4.4 mmp_? -110.31 142.46 41.92 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.875 -0.787 . . . . 64.23 108.875 173.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 177.98 -19.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.784 0.326 . . . . 72.42 111.191 -171.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -106.3 -36.75 6.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.563 0.696 . . . . 72.43 110.642 -173.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -72.07 -23.96 61.43 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.694 -1.139 . . . . 71.41 111.512 -177.451 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.468 ' HA ' ' HD3' ' A' ' 81' ' ' PRO . 3.8 pp -91.27 146.98 34.53 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.739 0.304 . . . . 75.55 110.535 176.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 80' ' ' LEU . 3.3 Cg_exo -81.76 -164.63 0.28 Allowed 'Trans proline' 0 N--CA 1.462 -0.357 0 C-N-CA 123.088 2.525 . . . . 73.0 111.782 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.558 ' HB1' ' HA3' ' A' ' 43' ' ' GLY . . . -63.92 111.12 2.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.834 0.349 . . . . 75.53 110.93 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 50.9 ttm -148.79 111.81 4.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.269 -0.423 . . . . 64.33 110.502 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' HB3' ' H ' ' A' ' 44' ' ' HIS . 4.9 p-10 -95.56 138.2 33.56 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.623 -0.51 . . . . 72.21 109.623 173.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -154.8 169.12 24.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.146 -0.479 . . . . 72.3 111.064 -174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.568 HG21 ' HD1' ' A' ' 18' ' ' PHE . 9.1 p -132.26 141.23 45.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.688 -0.687 . . . . 74.33 109.758 176.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.59 121.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.274 -0.269 . . . . 72.13 110.274 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.88 131.73 66.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.397 -0.365 . . . . 71.44 110.412 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.4 125.31 38.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.929 0.395 . . . . 71.51 111.213 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.07 179.58 6.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.901 -0.591 . . . . 64.31 110.216 178.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -84.16 128.33 34.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.89 0.376 . . . . 71.34 110.659 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 112.88 -11.72 24.97 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.912 -0.661 . . . . 42.51 112.029 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.5 p -65.43 -22.7 31.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.134 0.492 . . . . 53.0 110.84 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 61' ' ' GLU . . . -87.95 15.06 7.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.883 -0.599 . . . . 60.25 111.734 -176.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -115.35 -8.89 12.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.459 . . . . 73.14 110.821 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.629 HD11 HE21 ' A' ' 32' ' ' GLN . 90.9 mt -77.42 133.34 38.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.16 -0.473 . . . . 75.0 110.621 -178.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.45 -179.66 6.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.43 110.167 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.409 ' HA ' ' HG ' ' A' ' 101' ' ' LEU . 3.8 m-20 -61.57 -36.31 80.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.585 -0.279 . . . . 74.3 111.471 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.602 ' O ' ' HG2' ' A' ' 103' ' ' GLU . 4.4 tpm_? -62.44 -50.81 69.99 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.699 -0.482 . . . . 73.55 109.699 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.53 -49.65 76.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.724 -0.671 . . . . 72.43 111.653 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 98' ' ' ASN . 4.6 pp -70.04 -25.17 63.44 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.822 -0.351 . . . . 65.51 111.228 -177.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 29.7 t -72.71 -36.29 67.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.046 0.451 . . . . 74.23 109.948 176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 99' ' ' ARG . 13.7 mm-40 -74.02 -41.0 62.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.523 -0.547 . . . . 74.33 109.523 176.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.776 ' HA ' ' HG2' ' A' ' 107' ' ' LYS . . . -63.25 -23.99 67.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.712 -0.676 . . . . 42.43 111.199 178.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.18 -45.18 91.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.224 -0.444 . . . . 62.41 110.524 178.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.49 -20.84 59.84 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.828 -0.349 . . . . 75.01 110.349 -177.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.776 ' HG2' ' HA ' ' A' ' 104' ' ' ALA . 23.7 mmmt -66.58 -54.28 25.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.697 -0.483 . . . . 73.1 109.697 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 109' ' ' TRP . 4.0 pp -72.93 -30.79 64.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.039 -0.528 . . . . 62.53 111.349 -178.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TRP . . . . . 0.409 ' N ' HD12 ' A' ' 108' ' ' LEU . 37.0 t-105 -65.78 -58.68 5.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.732 0.301 . . . . 72.14 110.886 178.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -67.13 -23.59 65.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 45.21 110.657 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' A' ' 107' ' ' LYS . 4.7 tpp180 -69.2 -39.09 78.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.345 176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -85.76 -21.43 28.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 74.21 111.148 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 48.2 t -58.13 -46.79 85.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 75.04 110.414 177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -87.68 5.55 39.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 64.41 111.074 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 56.0 tp -104.21 -45.49 4.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.949 0.404 . . . . 72.34 110.158 178.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.55 -32.22 72.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.87 -0.604 . . . . 74.25 110.794 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 63.3 mtt180 -120.68 86.2 2.53 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.177 0.513 . . . . 54.24 109.825 177.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 177.92 -162.71 30.52 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.484 -0.78 . . . . 73.41 111.395 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.755 -0.641 . . . . 74.1 110.771 -177.951 . . . . . . . . 0 0 . 1 stop_ save_