data_2jvd_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 2jvd _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 ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.052 0.389 . . . . 50.229999999999997 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.57 79.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.039 0.447 . . . . 75.310000000000002 111.431 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -74.91 -31.25 61.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.358 -0.383 . . . . 73.140000000000001 111.924 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.28 -45.3 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.115 0.483 . . . . 74.549999999999997 110.421 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.6 93.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.054 -0.521 . . . . 73.040000000000006 110.927 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.584 ' NH1' HD22 ' A' ' 13' ' ' LEU . 22.6 tpt180 -56.31 -43.67 79.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.043 -0.526 . . . . 64.420000000000002 111.156 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.97 -51.78 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 122.303 -0.248 . . . . 74.319999999999993 111.455 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.89 -32.78 72.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.987 0.422 . . . . 71.349999999999994 111.404 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.404 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 23.4 tt0 -61.59 -54.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.309 0.576 . . . . 55.219999999999999 110.793 173.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.584 HD22 ' NH1' ' A' ' 9' ' ' ARG . 65.1 mt -63.53 -44.82 93.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.568 -0.742 . . . . 73.530000000000001 111.483 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.83 73.27 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.288 -0.414 . . . . 74.109999999999999 110.863 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.85 93.96 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.109 0.481 . . . . 63.509999999999998 111.053 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 98.6 mttt -61.47 -38.71 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.305 -0.407 . . . . 73.319999999999993 111.204 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.47 64.95 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.062 0.458 . . . . 64.140000000000001 111.488 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -61.7 -31.84 72.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.096 -0.502 . . . . 75.150000000000006 110.998 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.71 26.9 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.383 -0.371 . . . . 64.010000000000005 111.721 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.91 -5.23 27.38 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 116.243 -0.435 . . . . 54.399999999999999 113.364 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.08 13.43 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.612 0.597 . . . . 72.329999999999998 112.612 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.2 tt -84.14 128.43 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 120.992 0.425 . . . . 74.209999999999994 111.908 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -84.43 165.67 17.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.125 0.488 . . . . 60.100000000000001 111.797 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 26.1 mm-40 -56.7 -39.18 73.4 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.952 -0.567 . . . . 75.530000000000001 111.989 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.28 -47.4 79.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.41 -0.359 . . . . 72.329999999999998 111.391 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HB3' HD21 ' A' ' 13' ' ' LEU . 9.7 mm-40 -59.33 -44.5 92.61 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.053 0.454 . . . . 72.0 110.643 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 22' ' ' ILE . 53.6 mtpt -56.95 -46.74 81.9 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.091 -0.504 . . . . 65.510000000000005 112.039 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.08 82.26 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.05 0.452 . . . . 74.109999999999999 111.684 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.88 -41.68 91.26 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.244 -0.435 . . . . 75.450000000000003 110.972 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 27.4 tt0 -52.17 -57.65 8.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.993 0.425 . . . . 63.310000000000002 111.274 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.87 -44.29 70.29 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.087 -0.506 . . . . 75.129999999999995 111.674 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -64.24 -51.58 62.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.603 0.24 . . . . 62.039999999999999 111.352 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.907 0.336 . . . . 63.329999999999998 111.907 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 81.4 mtp180 -59.96 -38.82 83.59 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.788 0.327 . . . . 74.239999999999995 110.676 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -66.77 -42.59 85.84 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.973 0.416 . . . . 75.049999999999997 110.99 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -56.39 -31.22 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.28 0.562 . . . . 54.439999999999998 110.475 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.8 t80 . . . . . 0 CA--C 1.539 0.536 0 CA-C-N 115.798 -0.637 . . . . 73.430000000000007 111.055 176.194 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.04 0.385 . . . . 74.430000000000007 112.04 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.49 80.07 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.083 0.468 . . . . 71.230000000000004 111.589 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.458 ' HB3' HD23 ' A' ' 33' ' ' LEU . 95.5 mttt -67.07 -41.26 86.69 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.922 0.391 . . . . 74.129999999999995 110.657 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -57.43 -42.9 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.123 0.487 . . . . 74.209999999999994 110.837 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.46 76.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.02 0.438 . . . . 64.519999999999996 111.179 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -63.72 -38.7 92.09 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.201 -0.454 . . . . 75.010000000000005 110.994 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.19 -41.68 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 61.43 111.295 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -59.5 -37.05 77.26 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.078 0.466 . . . . 52.420000000000002 111.018 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.51 -57.6 7.82 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.123 0.487 . . . . 75.340000000000003 111.27 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 26' ' ' GLU . 83.1 mt -60.19 -40.11 88.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.926 -0.579 . . . . 73.129999999999995 111.986 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.99 97.03 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.94 0.4 . . . . 75.420000000000002 111.042 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.0 77.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.949 0.404 . . . . 73.439999999999998 110.958 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 97.2 mttt -56.89 -44.78 82.66 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.12 -0.491 . . . . 60.509999999999998 111.361 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.8 86.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.118 0.485 . . . . 74.310000000000002 111.58 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.664 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 7.2 ttpm? -62.81 -34.06 76.52 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.055 -0.52 . . . . 72.319999999999993 111.137 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.47 33.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.22 -0.445 . . . . 70.450000000000003 111.838 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.11 7.85 63.66 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.252 -0.499 . . . . 72.510000000000005 113.056 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.6 27.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.96 0.41 . . . . 63.43 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 17.1 tt -106.91 141.41 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 120.765 0.317 . . . . 73.519999999999996 111.444 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.7 p -88.1 158.77 18.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.429 0.633 . . . . 61.509999999999998 111.956 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -53.81 -37.29 63.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.659 -0.701 . . . . 64.310000000000002 111.957 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.5 -40.97 85.18 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.675 -0.238 . . . . 74.239999999999995 111.522 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 13' ' ' LEU . 28.7 mt-10 -71.34 -34.01 70.12 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 122.156 -0.34 . . . . 75.430000000000007 111.154 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -60.07 -43.3 95.54 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.066 0.46 . . . . 74.340000000000003 110.927 174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.16 96.86 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.026 0.441 . . . . 72.439999999999998 110.912 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -62.15 -39.83 93.94 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.345 -0.389 . . . . 74.099999999999994 110.927 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 50.2 tt0 -59.06 -48.22 82.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.996 0.426 . . . . 75.010000000000005 110.701 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -55.76 -46.79 77.79 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.92 -0.582 . . . . 71.349999999999994 110.966 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -54.91 -52.49 62.75 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.762 -0.654 . . . . 71.129999999999995 111.623 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 6' ' ' LYS . 97.0 mt -63.84 -40.69 97.2 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.067 -0.515 . . . . 73.099999999999994 111.98 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 74.5 mtp180 -63.0 -38.86 92.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.611 0.243 . . . . 74.340000000000003 111.395 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.07 -53.19 60.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.725 0.297 . . . . 73.129999999999995 110.846 172.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -33.2 59.76 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.342 0.591 . . . . 74.0 110.707 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.5 t80 . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 115.671 -0.695 . . . . 74.25 111.077 174.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 120.693 0.282 . . . . 70.239999999999995 111.723 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.03 91.38 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.119 0.485 . . . . 42.43 111.431 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -70.54 -36.97 73.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.435 -0.348 . . . . 70.430000000000007 110.896 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.95 -46.25 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.876 0.37 . . . . 63.450000000000003 111.033 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.0 81.55 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.161 0.505 . . . . 74.25 111.21 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.45 -44.72 96.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.989 -0.551 . . . . 74.340000000000003 111.034 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.9 -45.18 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.891 0.377 . . . . 64.519999999999996 110.814 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.32 -31.59 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.312 -0.404 . . . . 73.120000000000005 111.485 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -74.9 -50.63 16.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.94 0.4 . . . . 75.319999999999993 111.126 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 26' ' ' GLU . 92.6 mt -60.96 -35.54 77.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.85 0.357 . . . . 70.319999999999993 111.2 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.86 85.46 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.944 0.402 . . . . 64.239999999999995 110.904 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.81 93.12 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.093 0.473 . . . . 62.210000000000001 110.943 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.74 -39.13 87.53 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.015 -0.539 . . . . 70.219999999999999 111.164 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.94 95.73 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.32 -0.4 . . . . 75.340000000000003 111.232 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.19 -38.53 91.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.088 0.47 . . . . 70.400000000000006 110.943 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.91 -9.59 59.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.296 -0.411 . . . . 72.25 111.676 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.89 5.31 64.54 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.469 -0.396 . . . . 41.32 113.909 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.14 -0.25 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 112.325 0.491 . . . . 71.150000000000006 112.325 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -75.27 131.52 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 120.745 0.307 . . . . 74.150000000000006 111.451 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 72.7 p -83.67 163.5 20.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.297 0.57 . . . . 64.140000000000001 112.174 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.39 -41.79 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.722 -0.672 . . . . 62.310000000000002 111.763 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.81 -44.94 84.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.831 0.348 . . . . 73.420000000000002 111.161 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.3 mt-10 -63.54 -33.47 75.66 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.772 0.32 . . . . 74.329999999999998 111.356 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 23' ' ' THR . 98.2 mttt -60.92 -49.78 76.06 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.946 0.403 . . . . 62.299999999999997 110.806 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.62 84.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.058 -0.519 . . . . 45.240000000000002 110.92 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.09 -46.51 88.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.179 -0.464 . . . . 74.5 111.377 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.0 tt0 -57.61 -44.44 85.5 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.768 0.318 . . . . 62.049999999999997 111.222 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -57.98 -47.71 82.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.891 0.376 . . . . 74.439999999999998 111.071 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.89 -49.12 76.5 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.861 -0.608 . . . . 73.329999999999998 111.59 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.86 -33.32 75.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.314 -0.403 . . . . 74.409999999999997 111.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 18.2 mtp180 -65.4 -30.61 71.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.706 0.289 . . . . 71.0 111.233 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -69.04 -39.21 79.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.829 0.347 . . . . 71.120000000000005 110.35 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -57.75 -39.54 77.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.283 0.563 . . . . 72.209999999999994 110.252 172.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 115.588 -0.733 . . . . 74.349999999999994 111.054 176.406 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.891 0.377 . . . . 72.140000000000001 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.42 99.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.047 0.451 . . . . 43.520000000000003 110.905 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.2 mttt -68.31 -41.77 80.37 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.037 -0.529 . . . . 74.109999999999999 110.87 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.63 -47.07 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.008 0.432 . . . . 64.25 110.941 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.94 90.2 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.881 0.372 . . . . 52.140000000000001 110.982 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -60.62 -42.64 97.28 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.249 -0.432 . . . . 70.25 110.849 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.3 mt -57.08 -47.78 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.525 -0.307 . . . . 72.439999999999998 110.964 174.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -57.79 -43.37 85.57 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.487 -0.324 . . . . 71.010000000000005 111.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.38 -53.8 51.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.046 0.451 . . . . 75.209999999999994 111.404 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.0 mt -62.34 -39.59 93.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.13 -0.486 . . . . 44.329999999999998 111.376 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.32 77.58 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.994 0.426 . . . . 64.239999999999995 111.03 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.34 70.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.227 0.537 . . . . 73.099999999999994 110.287 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.22 -37.22 71.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.606 -0.725 . . . . 75.519999999999996 111.197 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.25 72.98 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.098 -0.501 . . . . 73.209999999999994 111.268 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -58.91 -42.72 90.3 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.362 -0.381 . . . . 73.109999999999999 111.195 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.73 60.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.268 0.47 . . . . 35.280000000000001 112.268 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.86 24.52 64.34 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.257 -0.497 . . . . 72.230000000000004 113.533 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.26 8.84 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.367 -0.49 . . . . 61.140000000000001 112.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.36 129.66 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 120.916 0.389 . . . . 74.420000000000002 111.531 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 50.1 p -89.65 171.98 9.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.288 0.477 . . . . 73.310000000000002 112.288 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.53 -59.84 3.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.369 0.507 . . . . 63.420000000000002 112.369 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -51.83 -40.87 61.22 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.003 -0.544 . . . . 74.040000000000006 111.781 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' HB3' HD22 ' A' ' 13' ' ' LEU . 41.9 mt-10 -70.53 -39.34 74.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 62.140000000000001 111.629 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 23' ' ' THR . 57.8 mtpt -61.13 -41.52 96.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.106 0.479 . . . . 65.140000000000001 110.877 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.84 86.56 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.935 -0.575 . . . . 74.420000000000002 111.149 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.5 tp10 -58.99 -43.81 91.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.052 -0.522 . . . . 64.340000000000003 110.662 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.8 -45.85 91.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.348 -0.387 . . . . 73.150000000000006 111.464 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -58.83 -50.66 73.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.287 0.565 . . . . 72.299999999999997 110.682 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -50.05 -49.81 49.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.45 -0.796 . . . . 74.200000000000003 111.953 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 89.6 mt -68.3 -34.02 75.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.385 -0.371 . . . . 75.329999999999998 111.748 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 34' ' ' ARG . 24.3 mtp180 -63.93 -35.87 82.08 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.695 0.283 . . . . 74.109999999999999 110.279 174.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.2 mm-40 -62.95 -45.44 92.46 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.939 -0.393 . . . . 72.209999999999994 109.939 172.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -54.13 -42.78 69.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.048 -0.524 . . . . 60.109999999999999 110.99 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 CA--C 1.54 0.572 0 CA-C-N 115.563 -0.744 . . . . 75.040000000000006 111.41 -179.008 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 53.140000000000001 111.609 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.65 98.77 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.936 0.398 . . . . 71.239999999999995 111.338 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.71 -42.27 82.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.43 -0.35 . . . . 54.530000000000001 111.327 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.4 mt -58.68 -47.7 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.897 0.379 . . . . 61.539999999999999 111.402 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.15 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.995 0.426 . . . . 65.239999999999995 111.187 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -63.18 -42.36 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.868 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.39 -46.58 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.773 0.32 . . . . 74.239999999999995 111.051 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.64 -42.83 84.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.397 -0.365 . . . . 75.310000000000002 111.832 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -59.05 -57.74 11.73 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.496 0.665 . . . . 74.299999999999997 110.791 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 26' ' ' GLU . 65.4 mt -64.02 -27.26 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.582 -0.736 . . . . 63.130000000000003 111.762 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.6 71.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.056 0.455 . . . . 51.409999999999997 110.958 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.62 95.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.062 -0.517 . . . . 62.439999999999998 110.777 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -61.34 -40.59 94.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.03 -0.532 . . . . 72.420000000000002 111.848 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.97 88.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.851 0.358 . . . . 55.420000000000002 111.576 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -67.0 -36.47 82.23 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.908 0.385 . . . . 75.010000000000005 111.34 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.02 -22.82 55.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.91 0.385 . . . . 74.129999999999995 111.732 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.72 15.68 70.03 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.388 -0.434 . . . . 60.009999999999998 113.517 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.45 15.16 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 122.398 -0.472 . . . . 74.019999999999996 112.196 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -92.61 134.75 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.518 -0.31 . . . . 74.319999999999993 111.684 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -82.15 162.47 22.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.192 0.52 . . . . 71.430000000000007 112.124 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 16.2 mm-40 -57.74 -41.23 81.43 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.891 -0.595 . . . . 71.519999999999996 111.667 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.62 -50.22 74.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.783 0.325 . . . . 71.200000000000003 111.386 174.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.7 mt-10 -61.63 -33.36 73.8 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.688 0.28 . . . . 65.299999999999997 111.525 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.8 mtpt -64.59 -45.01 88.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.082 0.468 . . . . 64.519999999999996 111.136 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.38 97.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.055 0.455 . . . . 74.140000000000001 110.956 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.76 -44.14 97.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.787 -0.642 . . . . 75.25 110.614 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -57.71 -43.44 85.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.136 -0.483 . . . . 62.409999999999997 111.284 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.503 ' HG2' ' OE1' ' A' ' 35' ' ' GLN . 53.6 tt0 -63.06 -51.17 67.75 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.892 0.377 . . . . 72.310000000000002 110.41 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -47.59 -52.38 17.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.027 -0.533 . . . . 73.120000000000005 111.212 176.096 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 80.4 mt -63.53 -34.72 78.42 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.165 -0.47 . . . . 42.530000000000001 112.044 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.34 -34.5 76.2 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.266 -0.271 . . . . 75.010000000000005 111.676 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.503 ' OE1' ' HG2' ' A' ' 31' ' ' GLN . 1.5 mp0 -65.93 -40.85 91.76 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.995 -0.44 . . . . 72.109999999999999 110.253 169.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 9.0 mm-40 -54.4 -43.5 71.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.141 0.496 . . . . 72.099999999999994 110.432 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 CA--C 1.538 0.488 0 CA-C-N 115.577 -0.738 . . . . 75.319999999999993 111.35 178.517 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 120.881 0.372 . . . . 75.340000000000003 111.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.41 87.32 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.215 -0.448 . . . . 70.400000000000006 111.391 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 10' ' ' ILE . 99.9 mttt -64.12 -45.94 86.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.363 -0.381 . . . . 74.519999999999996 110.935 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.6 -47.0 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.036 0.446 . . . . 51.140000000000001 111.071 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.93 96.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.149 0.499 . . . . 62.329999999999998 111.24 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -61.04 -37.08 81.36 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.035 -0.53 . . . . 71.040000000000006 111.03 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 6' ' ' LYS . 86.0 mt -58.63 -51.24 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 120.881 0.372 . . . . 73.040000000000006 111.029 175.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -58.43 -39.47 79.87 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.015 0.436 . . . . 71.340000000000003 111.63 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.01 -47.69 79.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.112 0.482 . . . . 73.299999999999997 111.068 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 26' ' ' GLU . 84.4 mt -71.01 -28.66 64.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.202 -0.453 . . . . 75.239999999999995 111.878 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.01 99.85 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 72.450000000000003 110.492 174.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.32 70.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.057 -0.52 . . . . 63.229999999999997 111.094 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -56.01 -37.38 69.09 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.018 0.437 . . . . 72.019999999999996 111.199 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -54.47 35.53 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.242 -0.435 . . . . 74.340000000000003 111.692 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -67.51 -20.88 65.49 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.862 0.363 . . . . 64.430000000000007 111.894 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.25 -17.19 35.36 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.909 0.385 . . . . 74.319999999999993 111.361 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.25 17.35 79.57 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.486 -0.387 . . . . 45.009999999999998 113.577 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -106.76 7.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 O-C-N 122.513 -0.404 . . . . 72.109999999999999 112.013 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -82.33 133.46 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 120.997 0.427 . . . . 75.120000000000005 111.826 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.1 p -76.03 155.15 35.16 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.548 -0.296 . . . . 73.400000000000006 110.808 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.586 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 4.4 mt-10 -66.14 -22.63 66.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.007 0.432 . . . . 71.420000000000002 111.434 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.81 -45.37 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.164 0.507 . . . . 73.140000000000001 110.209 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HB3' HD21 ' A' ' 13' ' ' LEU . 47.9 mt-10 -70.69 -28.39 64.72 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.073 -0.512 . . . . 72.310000000000002 111.158 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 56.0 mtpt -65.37 -38.07 88.92 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.009 0.433 . . . . 65.310000000000002 110.616 172.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.16 72.98 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.039 -0.528 . . . . 65.129999999999995 110.952 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.01 -53.61 55.06 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.899 -0.591 . . . . 70.319999999999993 111.535 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.8 tt0 -55.77 -39.3 71.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.581 0.229 . . . . 73.109999999999999 111.437 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.8 tt0 -57.61 -43.9 85.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.916 0.389 . . . . 74.040000000000006 111.088 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.24 -51.55 69.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.339 0.59 . . . . 63.340000000000003 111.028 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.08 -37.72 75.02 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.616 -0.72 . . . . 75.25 111.84 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 80.9 mtp180 -65.33 -36.03 82.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.713 -0.221 . . . . 73.230000000000004 111.286 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 83.1 mm-40 -63.83 -45.99 87.11 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.901 0.381 . . . . 73.129999999999995 110.387 173.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.39 -45.56 65.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.357 0.598 . . . . 64.519999999999996 110.737 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 115.175 -0.92 . . . . 73.099999999999994 112.006 179.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.785 0.326 . . . . 73.400000000000006 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.89 95.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.958 0.409 . . . . 50.549999999999997 111.203 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.512 ' O ' HG13 ' A' ' 10' ' ' ILE . 96.7 mttt -62.65 -45.58 92.19 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.399 -0.364 . . . . 75.049999999999997 110.86 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.28 -51.43 69.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.131 0.491 . . . . 72.400000000000006 111.19 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.74 76.42 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.185 -0.461 . . . . 72.150000000000006 111.636 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -70.29 -39.63 74.75 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.509 -0.314 . . . . 74.239999999999995 111.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.5 mt -62.22 -42.29 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.73 0.3 . . . . 73.319999999999993 111.113 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.25 -44.02 97.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.856 0.36 . . . . 73.319999999999993 110.943 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.483 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 11.7 tp10 -58.62 -53.16 61.45 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.989 -0.551 . . . . 64.099999999999994 111.476 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -67.19 -36.52 81.93 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.844 0.313 . . . . 74.230000000000004 111.844 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -33.14 75.07 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.162 0.506 . . . . 73.340000000000003 110.818 174.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.34 74.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.173 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 59.9 mttm -58.47 -35.4 72.12 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 111.034 174.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.41 75.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.876 0.37 . . . . 64.430000000000007 111.233 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -67.26 -22.8 65.66 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.895 0.379 . . . . 61.509999999999998 111.624 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.0 -10.88 34.7 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 70.219999999999999 111.701 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.55 -4.35 56.43 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.4 -0.364 . . . . 72.329999999999998 113.736 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.6 m -84.95 4.87 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 N-CA-C 112.822 0.675 . . . . 75.109999999999999 112.822 -174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.22 122.99 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 120.822 0.344 . . . . 71.099999999999994 111.125 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 81.3 p -81.16 165.78 21.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.013 0.435 . . . . 70.230000000000004 111.808 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 14.2 mm-40 -53.98 -44.58 70.92 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.102 -0.499 . . . . 73.420000000000002 111.909 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.64 -46.29 90.84 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.43 -0.35 . . . . 64.129999999999995 111.779 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.508 ' HB3' HD22 ' A' ' 13' ' ' LEU . 67.0 mm-40 -67.18 -31.52 71.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.753 0.311 . . . . 65.209999999999994 111.56 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 57.9 mtpt -63.04 -45.6 91.51 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.093 0.473 . . . . 72.430000000000007 110.684 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.54 94.99 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.979 -0.555 . . . . 62.109999999999999 111.04 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.11 -52.75 62.62 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 111.164 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.23 -49.06 67.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.362 -0.381 . . . . 65.120000000000005 111.785 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -56.91 -40.88 77.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.303 0.573 . . . . 75.450000000000003 110.915 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -65.51 -47.9 74.38 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.666 -0.697 . . . . 73.109999999999999 111.835 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.16 -35.63 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.962 0.411 . . . . 62.229999999999997 111.198 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -69.71 -28.56 65.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.52 -0.309 . . . . 72.230000000000004 111.507 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -61.57 -42.76 99.32 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.047 0.451 . . . . 72.129999999999995 109.882 170.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.89 -35.41 74.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.087 -0.506 . . . . 61.32 110.932 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 CA--C 1.544 0.714 0 CA-C-N 116.245 -0.434 . . . . 72.030000000000001 110.776 176.033 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 112.452 0.538 . . . . 53.229999999999997 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.41 93.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.084 0.401 . . . . 70.209999999999994 112.084 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.9 -44.3 93.37 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.598 -0.274 . . . . 75.150000000000006 111.284 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.8 -55.95 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.154 0.502 . . . . 72.349999999999994 111.184 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.62 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.992 -0.549 . . . . 65.129999999999995 111.471 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -66.41 -40.89 89.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.718 -0.219 . . . . 74.219999999999999 111.413 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.86 -45.22 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.037 0.446 . . . . 65.430000000000007 110.662 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -63.01 -39.54 95.08 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.293 -0.412 . . . . 75.099999999999994 111.242 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.52 -57.26 13.47 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.078 0.466 . . . . 62.109999999999999 111.021 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -64.86 -33.29 75.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.732 -0.667 . . . . 70.219999999999999 111.731 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.11 86.58 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.029 0.442 . . . . 62.439999999999998 110.751 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.13 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 54.039999999999999 111.107 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.676 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 94.0 mttt -58.82 -39.45 81.25 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.238 -0.437 . . . . 73.519999999999996 111.468 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.22 80.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.926 0.393 . . . . 64.430000000000007 111.118 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -62.1 -31.02 71.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.912 -0.585 . . . . 71.439999999999998 111.053 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.52 36.26 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.254 -0.43 . . . . 51.229999999999997 111.935 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.04 83.32 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 121.517 -0.373 . . . . 53.409999999999997 113.644 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.12 -4.25 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-O 120.958 0.409 . . . . 74.340000000000003 112.004 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.676 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 14.8 tt -79.85 145.54 9.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.003 0.43 . . . . 74.310000000000002 111.611 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -95.67 151.84 18.99 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.399 -0.364 . . . . 71.129999999999995 111.022 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.82 -26.53 64.23 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.944 0.35 . . . . 74.329999999999998 111.944 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.28 -46.66 87.93 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.313 0.578 . . . . 72.25 110.763 173.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HB3' HD22 ' A' ' 13' ' ' LEU . 38.7 mt-10 -69.49 -33.61 73.11 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.829 -0.623 . . . . 75.129999999999995 111.008 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 55.5 mtpt -63.55 -45.68 89.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.739 0.304 . . . . 72.549999999999997 110.955 177.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.7 80.43 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.143 0.497 . . . . 44.340000000000003 110.888 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.72 -48.62 79.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.137 -0.483 . . . . 72.540000000000006 110.644 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.5 tt0 -55.1 -38.95 68.8 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.155 -0.475 . . . . 64.450000000000003 111.157 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 76.7 mt-30 -55.78 -53.14 60.27 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.922 0.391 . . . . 73.310000000000002 110.452 175.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 3.4 ttmp? -52.11 -47.23 65.41 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.181 0.515 . . . . 74.140000000000001 111.049 177.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -61.75 -40.51 95.39 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.755 -0.657 . . . . 73.530000000000001 111.628 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 77.6 mtp180 -62.44 -44.69 95.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.575 0.226 . . . . 64.25 111.085 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.68 -35.3 80.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.749 0.309 . . . . 75.209999999999994 111.333 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.84 -33.4 75.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.173 0.511 . . . . 71.230000000000004 110.619 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 CA--C 1.539 0.519 0 CA-C-N 115.464 -0.789 . . . . 75.310000000000002 111.154 177.426 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.677 0.275 . . . . 74.0 111.395 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.65 79.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.053 0.454 . . . . 72.120000000000005 110.828 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 10' ' ' ILE . 79.5 mttt -62.05 -45.19 94.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.269 -0.423 . . . . 74.040000000000006 110.856 174.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.6 -42.59 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.31 -0.405 . . . . 74.450000000000003 111.468 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.16 91.29 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.099 0.476 . . . . 64.219999999999999 110.854 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -58.54 -39.14 79.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.868 -0.606 . . . . 74.420000000000002 110.926 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.1 mt -61.25 -47.49 93.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.51 -0.314 . . . . 74.329999999999998 111.329 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.93 -43.82 98.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.149 0.499 . . . . 71.019999999999996 111.147 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -53.88 52.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.913 -0.585 . . . . 70.400000000000006 111.429 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 16' ' ' LYS . 83.0 mt -65.93 -28.95 69.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.188 -0.46 . . . . 72.420000000000002 111.8 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.85 84.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.962 0.41 . . . . 64.5 111.02 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.81 85.85 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.051 -0.522 . . . . 72.420000000000002 111.188 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 13' ' ' LEU . 88.9 mttt -57.51 -39.98 77.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.855 0.36 . . . . 62.240000000000002 111.438 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.92 85.47 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.359 -0.382 . . . . 61.210000000000001 111.452 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -60.64 -42.35 96.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.215 0.531 . . . . 74.420000000000002 111.02 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.67 -21.04 59.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.071 -0.513 . . . . 72.310000000000002 111.798 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.72 77.22 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 121.48 -0.391 . . . . 60.420000000000002 113.668 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.74 11.33 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.133 0.492 . . . . 71.400000000000006 111.866 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 15.0 tt -87.92 132.06 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.268 -0.424 . . . . 73.140000000000001 111.382 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.6 p -77.76 159.98 28.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.043 0.449 . . . . 70.040000000000006 111.556 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -56.82 -42.16 79.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.099 -0.501 . . . . 70.049999999999997 111.219 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.28 -52.45 63.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 111.51 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.3 -35.22 76.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 111.662 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -63.71 -55.85 20.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 122.29 -0.256 . . . . 74.430000000000007 110.999 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.57 69.48 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.095 0.474 . . . . 51.409999999999997 111.201 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.0 tt0 -63.47 -52.5 61.08 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.989 -0.551 . . . . 73.450000000000003 111.086 176.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.2 tt0 -56.52 -42.92 79.22 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.566 0.222 . . . . 73.109999999999999 111.005 176.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 55.8 mt-30 -57.0 -45.93 82.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.613 0.244 . . . . 65.430000000000007 110.668 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -59.39 -46.84 87.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.901 0.381 . . . . 72.099999999999994 111.358 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 70.6 mt -59.7 -38.98 83.09 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 74.030000000000001 111.088 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 83.2 mtp180 -63.35 -37.72 88.35 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.939 0.4 . . . . 74.109999999999999 110.462 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 84.2 mm-40 -63.0 -43.24 99.32 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.009 0.433 . . . . 72.109999999999999 110.796 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.74 -29.94 70.53 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.291 -0.413 . . . . 64.420000000000002 111.229 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.085 0.469 . . . . 71.120000000000005 110.722 171.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 p30 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 112.181 0.437 . . . . 74.5 112.181 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.05 79.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.089 0.471 . . . . 74.430000000000007 111.251 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.466 ' O ' HG13 ' A' ' 10' ' ' ILE . 64.4 mttp -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 110.831 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.86 -47.8 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.073 0.463 . . . . 64.040000000000006 110.695 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.56 80.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.16 -0.473 . . . . 37.0 111.104 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -63.69 -42.31 98.01 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.102 -0.499 . . . . 71.519999999999996 110.914 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 6' ' ' LYS . 71.2 mt -58.97 -45.86 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.735 0.302 . . . . 65.310000000000002 111.035 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -59.39 -41.7 90.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.049 0.452 . . . . 52.229999999999997 111.315 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.525 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 13.1 tp10 -63.85 -52.08 61.71 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.06 -0.518 . . . . 72.340000000000003 111.536 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 26' ' ' GLU . 93.2 mt -64.22 -43.53 94.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.795 0.331 . . . . 72.430000000000007 111.393 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -58.85 -39.83 82.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.081 0.467 . . . . 62.539999999999999 110.707 176.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.82 98.04 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.016 0.436 . . . . 75.299999999999997 110.815 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 62.9 mttm -60.12 -35.89 76.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.854 0.359 . . . . 71.219999999999999 110.768 174.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -44.35 81.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.101 0.476 . . . . 74.239999999999995 111.127 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 28.0 mtpp -64.64 -26.89 68.58 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 65.109999999999999 111.083 176.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.32 -28.25 23.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.469 . . . . 61.399999999999999 111.537 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.71 7.56 61.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 116.422 -0.354 . . . . 62.409999999999997 113.422 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.12 -0.25 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 112.771 0.656 . . . . 62.219999999999999 112.771 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.44 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.0 tt -76.13 124.07 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.339 0.59 . . . . 75.209999999999994 112.286 -175.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.437 ' OG1' ' HG2' ' A' ' 26' ' ' GLU . 58.5 p -79.32 160.28 26.84 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.011 0.434 . . . . 74.099999999999994 111.88 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.7 -33.51 64.24 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.966 -0.561 . . . . 55.030000000000001 111.629 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -67.5 -48.71 66.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.294 -0.412 . . . . 72.129999999999995 110.991 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.51 ' HB3' HD22 ' A' ' 13' ' ' LEU . 36.7 mm-40 -60.88 -37.8 83.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.912 0.387 . . . . 73.049999999999997 110.774 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HG3' HG12 ' A' ' 22' ' ' ILE . 57.2 mtpt -62.55 -40.33 96.48 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.276 -0.42 . . . . 54.420000000000002 111.461 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.74 77.02 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.917 0.389 . . . . 62.240000000000002 111.116 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 46.5 tp10 -61.3 -41.28 96.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 72.120000000000005 110.481 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 34' ' ' ARG . 29.2 tt0 -60.91 -38.55 86.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.361 . . . . 71.400000000000006 111.462 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 29.0 tt0 -61.59 -51.87 66.77 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.993 -0.373 . . . . 75.310000000000002 109.993 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.63 -56.79 8.76 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.522 -0.763 . . . . 70.0 111.969 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 79.4 mt -57.66 -38.97 76.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.307 -0.406 . . . . 72.319999999999993 111.414 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HA ' ' HB3' ' A' ' 37' ' ' TYR . 85.7 mtm180 -70.42 -24.21 62.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.876 0.324 . . . . 74.349999999999994 111.876 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.8 mm-40 -63.1 -47.17 83.99 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.774 -0.454 . . . . 73.430000000000007 109.774 172.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -62.11 -41.57 98.35 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.831 -0.622 . . . . 71.430000000000007 111.117 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.424 ' HB3' ' HA ' ' A' ' 34' ' ' ARG . 57.8 t80 . . . . . 0 CA--C 1.54 0.561 0 CA-C-N 115.848 -0.614 . . . . 75.140000000000001 111.619 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.501 0.556 . . . . 74.209999999999994 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -50.08 74.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.63 0.252 . . . . 63.130000000000003 111.565 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.515 ' O ' HG13 ' A' ' 10' ' ' ILE . 92.8 mttt -57.94 -42.96 85.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.509 0.195 . . . . 74.540000000000006 111.296 176.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.63 -47.49 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.842 0.353 . . . . 70.200000000000003 111.204 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.61 81.18 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.116 0.484 . . . . 72.319999999999993 111.037 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.63 -42.47 98.15 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.984 -0.553 . . . . 75.219999999999999 111.213 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 6' ' ' LYS . 73.2 mt -60.07 -48.97 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.702 0.287 . . . . 73.299999999999997 111.14 177.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -59.9 -40.37 88.56 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.827 0.346 . . . . 73.439999999999998 111.521 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.68 -52.22 65.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.139 0.495 . . . . 63.409999999999997 111.191 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 26' ' ' GLU . 95.0 mt -63.26 -32.22 73.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.327 -0.397 . . . . 72.319999999999993 111.477 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -63.94 -45.97 86.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.013 0.435 . . . . 71.540000000000006 110.778 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.7 98.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.211 -0.449 . . . . 73.140000000000001 111.053 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -58.64 -37.94 77.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.889 0.376 . . . . 74.409999999999997 111.265 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.51 88.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.375 -0.375 . . . . 73.25 111.288 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.664 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 5.6 mtpm? -63.36 -42.17 98.87 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.17 0.51 . . . . 73.450000000000003 111.076 176.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.39 56.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.14 -0.482 . . . . 73.420000000000002 111.732 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.05 46.81 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.334 -0.46 . . . . 64.400000000000006 113.189 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.08 -0.2 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 112.464 0.542 . . . . 70.430000000000007 112.464 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 tt -82.75 133.34 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.015 0.376 . . . . 75.0 112.015 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 p -85.65 168.66 14.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.255 0.55 . . . . 65.040000000000006 112.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.4 -31.55 72.71 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.026 -0.534 . . . . 51.340000000000003 111.894 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.35 -45.54 76.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.996 0.427 . . . . 72.109999999999999 111.004 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HB3' HD21 ' A' ' 13' ' ' LEU . 8.3 mm-40 -61.36 -42.91 99.47 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.202 0.525 . . . . 75.230000000000004 110.643 175.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.57 -41.85 91.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 63.200000000000003 111.283 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . -59.34 -42.83 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.345 -0.389 . . . . 71.099999999999994 110.917 176.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -63.38 -45.8 89.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.403 -0.362 . . . . 75.239999999999995 110.819 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 35.4 tt0 -53.8 -46.01 70.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.908 0.385 . . . . 72.200000000000003 110.818 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -53.48 -52.8 58.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.074 0.464 . . . . 71.349999999999994 111.222 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 28' ' ' ALA . 88.6 mttt -58.56 -43.53 89.38 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.861 -0.608 . . . . 61.439999999999998 111.597 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.28 -38.69 91.93 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.294 -0.412 . . . . 65.439999999999998 111.165 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 62.4 mtp85 -65.64 -35.49 80.95 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.318 -0.401 . . . . 74.340000000000003 111.135 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -64.64 -41.14 96.35 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.872 0.368 . . . . 72.129999999999995 110.314 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.25 -36.81 81.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.277 -0.42 . . . . 70.109999999999999 110.957 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 CA--C 1.539 0.528 0 CA-C-N 116.118 -0.492 . . . . 72.230000000000004 111.122 176.319 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 112.177 0.436 . . . . 70.530000000000001 112.177 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.97 93.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 53.329999999999998 111.206 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.421 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.8 mttt -66.52 -43.58 84.84 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.253 -0.43 . . . . 74.430000000000007 110.66 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.68 -45.74 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.098 0.475 . . . . 75.450000000000003 111.01 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.07 85.94 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.2 -0.454 . . . . 42.539999999999999 111.541 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 23.1 tpt180 -62.8 -41.76 99.42 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.461 -0.336 . . . . 75.409999999999997 111.021 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 6' ' ' LYS . 67.5 mt -58.26 -52.81 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.564 0.221 . . . . 73.530000000000001 111.532 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -55.82 -42.02 75.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.85 0.357 . . . . 62.32 111.354 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' HG2' ' HE2' ' A' ' 16' ' ' LYS . 36.6 tt0 -61.84 -47.0 87.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.973 0.416 . . . . 71.310000000000002 111.222 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 68.5 mt -63.75 -29.56 70.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.451 -0.341 . . . . 75.310000000000002 111.285 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.15 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.221 0.534 . . . . 73.129999999999995 110.792 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -48.91 60.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.083 0.468 . . . . 36.619999999999997 110.725 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HD2' HD21 ' A' ' 13' ' ' LEU . 67.9 mttm -57.89 -36.53 72.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.96 -0.563 . . . . 55.130000000000003 111.717 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.67 64.58 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.993 0.425 . . . . 71.400000000000006 111.102 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -61.22 -40.41 93.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 111.426 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.55 60.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.946 0.35 . . . . 72.230000000000004 111.946 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.54 5.23 89.69 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 121.288 -0.482 . . . . 64.329999999999998 113.379 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.48 12.93 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.271 0.471 . . . . 50.310000000000002 112.271 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -81.62 129.97 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.922 0.391 . . . . 73.420000000000002 111.404 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 66.4 p -81.79 164.77 21.44 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.14 0.495 . . . . 74.120000000000005 112.121 -178.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.44 -42.81 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.824 -0.626 . . . . 63.0 111.199 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.58 -47.31 86.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.792 -0.64 . . . . 70.510000000000005 111.276 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 9' ' ' ARG . 71.6 mm-40 -64.4 -31.62 72.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.539 -0.3 . . . . 74.230000000000004 111.654 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 23' ' ' THR . 99.5 mttt -64.98 -48.47 73.91 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.018 0.437 . . . . 62.32 111.063 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.42 91.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.223 -0.444 . . . . 73.450000000000003 111.138 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.77 -36.19 83.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 73.409999999999997 111.268 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.39 -47.82 80.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.016 0.436 . . . . 64.439999999999998 110.679 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.9 mt-30 -60.82 -50.06 74.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.016 -0.538 . . . . 55.020000000000003 110.588 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -52.66 -44.26 66.04 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.357 -0.838 . . . . 63.32 111.864 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.81 -41.56 91.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.918 0.389 . . . . 74.430000000000007 111.369 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -66.12 -28.23 68.65 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.527 -0.306 . . . . 64.030000000000001 111.643 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.7 mm-40 -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.091 0.472 . . . . 63.350000000000001 109.855 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.89 -37.18 76.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.78 -0.645 . . . . 74.129999999999995 111.211 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 CA--C 1.541 0.604 0 CA-C-N 116.146 -0.479 . . . . 71.040000000000006 111.304 176.768 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 113.267 0.839 . . . . 71.530000000000001 113.267 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.79 84.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.088 0.47 . . . . 74.129999999999995 111.907 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 56.0 mttp -70.2 -39.05 75.41 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.875 0.369 . . . . 72.510000000000005 111.218 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.36 -47.59 91.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.896 0.379 . . . . 71.120000000000005 110.947 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.4 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.159 0.504 . . . . 74.530000000000001 111.092 175.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.468 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 24.4 tpt180 -61.79 -49.09 77.76 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.15 -0.477 . . . . 73.319999999999993 110.399 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 6' ' ' LYS . 69.4 mt -57.25 -47.69 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.555 -0.293 . . . . 75.129999999999995 111.168 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -55.29 -51.2 67.43 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.948 0.404 . . . . 74.420000000000002 111.47 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.4 tp10 -56.94 -49.31 76.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.082 0.467 . . . . 64.439999999999998 110.656 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.5 mt -62.55 -32.49 73.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.14 -0.482 . . . . 72.510000000000005 111.675 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.87 94.89 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.161 0.505 . . . . 70.129999999999995 111.182 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.33 76.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.139 -0.482 . . . . 65.140000000000001 111.093 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.9 mtpm? -59.04 -35.69 73.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.115 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.27 38.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.406 -0.361 . . . . 70.450000000000003 111.368 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -60.52 -31.56 70.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.956 0.408 . . . . 74.430000000000007 111.679 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.98 -12.93 58.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 111.898 0.333 . . . . 73.040000000000006 111.898 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.18 -1.54 88.52 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.298 -0.477 . . . . 72.230000000000004 113.12 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.69 28.46 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-O 121.404 0.621 . . . . 75.310000000000002 112.044 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.18 135.18 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 120.872 0.367 . . . . 72.030000000000001 110.791 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 31.9 p -84.76 161.12 20.11 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.101 0.476 . . . . 74.230000000000004 111.41 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.25 -34.78 74.19 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.103 -0.498 . . . . 73.25 111.17 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.26 -47.35 73.99 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 60.25 110.962 175.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HB3' HD22 ' A' ' 13' ' ' LEU . 52.1 mt-10 -57.36 -41.06 79.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.924 0.392 . . . . 73.340000000000003 111.388 176.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 53.4 mtpt -61.63 -47.46 85.33 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.465 -0.334 . . . . 74.219999999999999 110.946 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.98 84.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.948 0.404 . . . . 65.310000000000002 111.305 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -61.34 -47.4 86.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.946 -0.57 . . . . 53.240000000000002 111.218 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 36.4 tt0 -55.69 -50.69 69.6 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.264 -0.425 . . . . 74.340000000000003 111.006 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 13.3 mm100 -55.29 -41.9 72.93 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.203 0.525 . . . . 74.200000000000003 111.089 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -59.93 -51.0 71.58 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.9 -0.591 . . . . 74.540000000000006 111.002 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.01 -30.97 71.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.991 -0.55 . . . . 75.230000000000004 111.844 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 62.9 mtp180 -65.34 -43.4 91.03 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.833 0.349 . . . . 75.319999999999993 111.056 176.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.86 -36.37 84.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.995 0.426 . . . . 64.129999999999995 110.966 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.3 -39.85 85.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.294 -0.412 . . . . 71.150000000000006 111.45 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.7 t80 . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 116.164 -0.471 . . . . 73.239999999999995 111.705 -178.837 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.111 0.481 . . . . 62.219999999999999 110.512 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.65 96.46 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.125 -0.489 . . . . 62.140000000000001 111.196 174.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.15 -44.32 96.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.512 -0.313 . . . . 72.239999999999995 111.302 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.91 -42.39 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.95 0.405 . . . . 73.349999999999994 110.684 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.25 85.91 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.05 0.452 . . . . 73.400000000000006 110.915 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -63.64 -35.51 80.78 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.215 -0.448 . . . . 75.450000000000003 111.043 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.54 -55.97 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 120.607 0.242 . . . . 74.099999999999994 111.116 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -55.52 -36.94 67.27 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.946 0.403 . . . . 55.43 111.225 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 10.4 tp10 -65.77 -63.29 1.12 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.007 -0.542 . . . . 73.219999999999999 111.248 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 26' ' ' GLU . 75.4 mt -57.09 -39.45 75.04 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.279 0.474 . . . . 74.420000000000002 112.279 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.225 0.536 . . . . 72.519999999999996 110.908 176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.16 96.82 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.105 -0.498 . . . . 55.420000000000002 110.963 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 7.6 mtpm? -63.85 -31.78 73.07 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.137 -0.483 . . . . 64.439999999999998 111.104 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -41.83 73.23 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.905 0.383 . . . . 73.340000000000003 110.724 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -59.94 -43.12 95.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.069 -0.514 . . . . 74.439999999999998 111.171 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.97 -10.95 59.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.132 -0.485 . . . . 74.200000000000003 112.191 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.33 18.21 80.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.232 -0.508 . . . . 53.520000000000003 113.458 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -103.44 23.99 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.245 0.545 . . . . 74.019999999999996 111.778 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -99.07 132.08 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 120.978 0.418 . . . . 74.239999999999995 111.115 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.7 p -91.54 166.51 12.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.867 0.365 . . . . 72.439999999999998 111.96 -178.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -52.93 -46.31 68.03 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.308 -0.405 . . . . 73.310000000000002 111.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.6 -48.22 81.69 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.31 -0.404 . . . . 74.349999999999994 110.729 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.4 mt-10 -61.92 -40.23 94.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.352 -0.385 . . . . 75.540000000000006 111.833 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' THR . 59.4 mtpt -61.13 -39.41 89.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.947 0.403 . . . . 71.340000000000003 110.73 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.59 92.86 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.129999999999995 111.252 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 18.8 tp10 -66.92 -41.33 87.24 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.688 -0.233 . . . . 75.420000000000002 111.303 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 33' ' ' LEU . 10.0 tt0 -57.68 -39.56 77.41 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.098 0.475 . . . . 74.319999999999993 111.283 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.46 -53.28 59.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.498 0.666 . . . . 73.200000000000003 109.989 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -56.76 -35.76 69.01 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.136 -0.938 . . . . 71.209999999999994 111.946 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 30' ' ' GLN . 92.3 mt -67.35 -44.71 78.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.064 0.459 . . . . 73.129999999999995 111.601 177.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -67.66 -36.12 80.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.297 -0.411 . . . . 75.340000000000003 111.505 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.85 -31.48 72.51 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.059 0.456 . . . . 74.409999999999997 111.035 171.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.38 -41.19 69.99 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.13 0.49 . . . . 73.150000000000006 110.973 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 t80 . . . . . 0 CA--C 1.54 0.565 0 CA-C-N 115.777 -0.647 . . . . 61.420000000000002 111.298 -179.789 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 64.129999999999995 111.841 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.7 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.873 0.368 . . . . 72.349999999999994 111.471 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.59 -32.34 73.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.59 0.233 . . . . 75.019999999999996 111.577 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.87 -43.01 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.232 0.539 . . . . 70.140000000000001 110.453 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.82 88.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.143 0.497 . . . . 62.420000000000002 110.692 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.9 tpt180 -60.03 -41.56 92.48 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.893 -0.594 . . . . 75.510000000000005 110.857 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.71 -47.81 91.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.632 -0.258 . . . . 74.299999999999997 111.26 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -57.22 -45.5 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.644 0.259 . . . . 73.099999999999994 111.365 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -58.34 -52.74 64.34 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.014 0.435 . . . . 74.420000000000002 111.387 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.1 mt -64.21 -27.91 69.38 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 111.333 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.01 77.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.133 0.492 . . . . 72.219999999999999 110.854 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.36 86.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.182 0.515 . . . . 71.010000000000005 110.461 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.82 -44.26 90.82 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.075 -0.511 . . . . 73.349999999999994 111.199 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.43 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.923 0.392 . . . . 72.400000000000006 111.228 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -61.46 -31.47 71.43 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.998 0.428 . . . . 62.210000000000001 111.208 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.6 -12.11 40.72 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.381 -0.372 . . . . 43.509999999999998 111.894 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.44 0.98 80.79 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.477 -0.392 . . . . 74.140000000000001 113.651 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 m -88.94 9.43 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 112.219 0.452 . . . . 74.019999999999996 112.219 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -80.52 135.91 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.888 0.375 . . . . 73.120000000000005 111.181 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 29.8 p -82.94 161.33 21.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.106 0.479 . . . . 74.400000000000006 111.229 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.7 -35.74 75.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.15 0.5 . . . . 73.409999999999997 111.314 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.1 -44.72 79.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.954 -0.567 . . . . 71.510000000000005 110.965 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HB3' HD22 ' A' ' 13' ' ' LEU . 61.6 mt-10 -64.03 -33.96 76.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.981 0.42 . . . . 75.209999999999994 111.152 176.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.756 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 9.8 mtpm? -62.93 -44.93 94.75 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.45 -0.341 . . . . 73.439999999999998 110.79 174.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.03 90.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.157 0.503 . . . . 64.010000000000005 110.781 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.34 -51.98 66.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.901 -0.59 . . . . 73.099999999999994 111.289 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 36.6 tt0 -54.09 -49.51 68.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.508 -0.315 . . . . 72.299999999999997 111.49 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.34 -47.47 83.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.844 0.354 . . . . 64.430000000000007 110.868 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.71 -50.65 69.74 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.195 -0.457 . . . . 74.040000000000006 111.366 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.83 -30.3 71.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 111.597 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.462 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 48.0 mtp85 -64.8 -41.14 96.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 74.430000000000007 111.518 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.22 -43.3 95.38 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 122.081 -0.387 . . . . 73.019999999999996 110.838 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.95 -31.14 71.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 63.439999999999998 111.327 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 N--CA 1.467 0.407 0 CA-C-N 116.12 -0.491 . . . . 74.019999999999996 111.172 176.737 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.712 0.264 . . . . 75.200000000000003 111.712 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.94 91.17 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 64.019999999999996 111.452 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -39.14 80.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.185 -0.461 . . . . 54.350000000000001 111.155 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.88 -44.18 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 121.093 0.473 . . . . 74.239999999999995 110.677 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.95 75.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.227 -0.442 . . . . 50.310000000000002 111.192 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.08 -44.83 87.64 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.244 -0.434 . . . . 72.310000000000002 111.034 176.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.54 -45.74 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 120.816 0.341 . . . . 73.420000000000002 111.211 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.78 -42.53 89.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.309 0.576 . . . . 72.439999999999998 111.189 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 34.7 tt0 -60.84 -60.72 3.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.821 -0.627 . . . . 72.430000000000007 111.534 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' A' ' 26' ' ' GLU . 81.5 mt -61.6 -28.95 69.72 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.926 -0.579 . . . . 74.530000000000001 111.793 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.07 90.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.054 0.454 . . . . 74.219999999999999 110.793 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.25 79.21 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.935 0.398 . . . . 64.109999999999999 110.914 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 6.4 mtpm? -58.82 -32.67 69.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.265 -0.425 . . . . 75.230000000000004 110.802 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.66 74.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.295 -0.411 . . . . 74.420000000000002 111.387 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -70.02 -27.14 64.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.736 0.303 . . . . 62.520000000000003 111.346 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.42 -14.03 33.72 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 120.885 0.374 . . . . 71.340000000000003 111.838 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.96 -8.47 73.04 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.231 -0.509 . . . . 60.340000000000003 113.317 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 34.6 m -83.34 27.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 N-CA-C 112.196 0.443 . . . . 74.209999999999994 112.196 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.81 127.27 58.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.8 0.333 . . . . 74.239999999999995 110.79 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 32.2 p -74.82 161.93 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.911 -0.493 . . . . 74.019999999999996 111.454 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.29 -34.77 72.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.261 0.553 . . . . 72.340000000000003 110.838 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.19 -42.66 68.73 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.906 -0.588 . . . . 73.519999999999996 111.25 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HB3' HD21 ' A' ' 13' ' ' LEU . 50.6 mt-10 -61.52 -35.45 77.76 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.662 0.267 . . . . 73.400000000000006 111.02 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 23' ' ' THR . 58.6 mtpt -63.24 -37.49 87.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.799 0.333 . . . . 74.510000000000005 110.811 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.69 -38.25 76.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.175 -0.466 . . . . 72.099999999999994 111.333 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -64.98 -46.38 81.73 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.106 0.479 . . . . 73.099999999999994 110.251 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -55.91 -49.92 72.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.078 -0.51 . . . . 75.400000000000006 110.219 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -49.59 -60.89 2.46 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.76 -0.655 . . . . 73.140000000000001 111.374 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -47.82 -46.72 31.13 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.138 0.575 . . . . 65.430000000000007 111.799 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.58 -25.56 59.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.081 -0.509 . . . . 70.5 112.351 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 58.9 mtp180 -68.67 -37.98 80.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.019 -0.426 . . . . 64.230000000000004 110.805 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.64 -45.68 91.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.93 -0.396 . . . . 74.140000000000001 109.93 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.24 -40.08 67.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.002 0.429 . . . . 64.120000000000005 111.21 173.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 CA--C 1.539 0.52 0 CA-C-N 116.04 -0.527 . . . . 74.430000000000007 111.409 177.48 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.739 0.644 . . . . 72.120000000000005 112.739 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.43 85.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.049 0.452 . . . . 53.420000000000002 111.723 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.91 -40.36 68.88 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.432 -0.349 . . . . 52.539999999999999 111.386 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.5 mt -54.88 -46.65 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 121.063 0.459 . . . . 62.229999999999997 111.097 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.26 90.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.857 0.361 . . . . 60.25 111.302 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.84 -31.83 71.93 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.617 0.229 . . . . 73.129999999999995 111.617 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.43 -49.7 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 120.839 0.352 . . . . 74.099999999999994 110.383 173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -61.32 -39.08 89.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.232 -0.44 . . . . 72.349999999999994 111.329 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -54.57 -54.31 42.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.519 0.676 . . . . 71.230000000000004 110.899 173.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD21 ' HD2' ' A' ' 16' ' ' LYS . 84.0 mt -72.27 -22.15 61.26 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.735 -0.666 . . . . 73.219999999999999 111.69 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.08 -43.77 67.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.918 0.39 . . . . 62.43 110.93 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.9 77.28 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.213 0.53 . . . . 72.209999999999994 110.33 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 52.5 mttm -55.51 -45.2 77.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.753 -0.658 . . . . 75.230000000000004 111.802 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.2 94.09 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.36 -0.382 . . . . 64.319999999999993 111.985 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -72.77 -40.04 66.28 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.768 0.318 . . . . 74.430000000000007 111.748 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.27 61.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.003 0.43 . . . . 61.340000000000003 111.752 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.3 86.43 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.294 -0.479 . . . . 64.319999999999993 113.448 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.11 20.95 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 120.963 0.411 . . . . 55.549999999999997 111.75 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 18.0 tt -104.3 133.48 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.078 0.466 . . . . 75.420000000000002 111.518 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p -93.02 165.24 12.95 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.985 0.421 . . . . 74.310000000000002 111.825 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.67 -30.42 67.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.318 -0.401 . . . . 70.219999999999999 111.826 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.17 -50.32 48.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.352 . . . . 64.540000000000006 111.14 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.7 -38.31 78.01 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.321 0.582 . . . . 70.010000000000005 110.599 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HG3' HG12 ' A' ' 22' ' ' ILE . 58.3 mtpt -64.27 -35.59 81.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.976 -0.556 . . . . 71.549999999999997 111.087 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.3 93.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.368 -0.378 . . . . 73.219999999999999 111.094 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.0 tt0 -67.32 -37.77 83.85 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.629 -0.259 . . . . 74.510000000000005 110.408 175.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.69 -41.07 69.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.307 0.575 . . . . 75.109999999999999 110.453 172.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 61.8 tt0 -63.77 -47.99 78.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.101 -0.5 . . . . 71.209999999999994 110.686 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.69 -46.86 70.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.934 -0.575 . . . . 74.010000000000005 111.438 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 65.5 mt -63.17 -43.07 99.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.991 -0.55 . . . . 72.430000000000007 111.151 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HE ' ' HA ' ' A' ' 31' ' ' GLN . 91.0 mtm180 -64.49 -29.9 70.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 111.759 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 87.9 mm-40 -61.35 -54.1 48.14 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.227 173.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -53.66 -39.2 64.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.496 0.665 . . . . 70.040000000000006 110.897 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.4 t80 . . . . . 0 CA--C 1.54 0.579 0 CA-C-N 115.309 -0.859 . . . . 73.430000000000007 111.857 178.583 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.892 0.377 . . . . 74.109999999999999 111.67 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.06 97.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.877 0.37 . . . . 75.420000000000002 110.856 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.89 -37.76 88.72 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.405 -0.361 . . . . 71.540000000000006 111.348 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.15 -46.55 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 120.939 0.4 . . . . 73.010000000000005 111.27 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.89 -46.08 82.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.06 0.457 . . . . 52.310000000000002 110.783 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -59.04 -42.24 89.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.957 -0.565 . . . . 73.409999999999997 111.534 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.89 -45.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.695 0.283 . . . . 71.25 111.293 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -68.08 -32.93 73.61 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 111.821 0.304 . . . . 72.239999999999995 111.821 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.24 -50.54 71.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.089 0.471 . . . . 75.450000000000003 110.785 175.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.77 -40.79 88.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.029 -0.532 . . . . 72.540000000000006 111.008 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.18 84.01 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.314 -0.403 . . . . 61.299999999999997 111.128 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.38 74.46 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.216 0.532 . . . . 54.109999999999999 111.073 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.0 -36.7 80.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.246 -0.434 . . . . 74.519999999999996 111.068 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.49 -33.97 62.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.303 -0.408 . . . . 73.109999999999999 111.556 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -68.36 -38.56 81.53 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.859 0.362 . . . . 74.319999999999993 110.783 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -47.79 48.71 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.981 0.419 . . . . 74.310000000000002 110.984 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.12 34.52 2.94 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.197 -0.456 . . . . 61.530000000000001 113.131 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.94 -7.97 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 122.359 -0.494 . . . . 74.219999999999999 112.173 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.54 140.01 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 112.629 0.603 . . . . 73.150000000000006 112.629 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.8 p -95.2 163.67 13.18 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.357 -0.383 . . . . 44.509999999999998 111.854 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.25 -34.78 74.17 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.139 0.422 . . . . 72.420000000000002 112.139 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.2 -50.12 74.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.101 0.477 . . . . 73.120000000000005 110.776 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.93 -35.85 81.47 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.091 -0.504 . . . . 53.409999999999997 111.074 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.17 -30.28 68.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.632 -0.258 . . . . 73.209999999999994 111.663 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.39 70.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.301 0.572 . . . . 73.430000000000007 110.419 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.05 -50.4 73.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.576 -0.738 . . . . 74.109999999999999 110.669 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.469 HE21 ' NH1' ' A' ' 34' ' ' ARG . 46.1 tt0 -53.57 -44.34 69.24 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.973 -0.558 . . . . 63.32 111.506 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 30.1 tt0 -58.34 -52.41 65.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.363 -0.381 . . . . 43.340000000000003 110.87 177.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.99 -47.07 84.11 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.128 -0.487 . . . . 71.120000000000005 111.831 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 99.2 mt -65.03 -37.26 87.01 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.5 -0.318 . . . . 74.019999999999996 111.659 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.469 ' NH1' HE21 ' A' ' 30' ' ' GLN . 87.6 mtt180 -65.89 -35.57 81.01 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 121.258 -0.177 . . . . 73.420000000000002 111.271 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 81.1 mm-40 -61.25 -44.24 97.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.976 0.417 . . . . 71.420000000000002 110.18 174.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.4 mm-40 -51.23 -42.79 61.22 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.414 0.626 . . . . 74.129999999999995 110.76 172.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 t80 . . . . . 0 CA--C 1.539 0.557 0 CA-C-N 115.289 -0.869 . . . . 74.450000000000003 111.339 -179.841 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.54 0.581 0 CA-C-O 120.85 0.357 . . . . 73.239999999999995 110.947 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.6 99.74 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 110.945 172.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.458 ' O ' HG13 ' A' ' 10' ' ' ILE . 67.8 mttm -66.78 -36.8 83.24 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.896 0.379 . . . . 71.030000000000001 110.683 176.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.19 -43.32 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.063 0.459 . . . . 71.239999999999995 110.402 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.57 86.39 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.076 -0.511 . . . . 64.049999999999997 110.776 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.8 tpt180 -61.95 -41.16 97.66 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.954 175.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.2 mt -55.94 -44.95 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.761 0.315 . . . . 75.310000000000002 110.843 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -66.69 -40.0 88.33 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.99 0.424 . . . . 63.100000000000001 111.152 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.1 -48.62 75.82 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.488 0.661 . . . . 71.340000000000003 110.661 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 26' ' ' GLU . 72.4 mt -72.16 -29.82 64.4 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.65 -0.704 . . . . 74.519999999999996 111.308 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.9 99.64 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 70.420000000000002 110.458 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.24 74.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.048 0.452 . . . . 64.310000000000002 110.848 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -57.68 -35.1 70.13 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 111.587 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.9 79.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.954 0.407 . . . . 65.400000000000006 111.365 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -65.93 -41.85 90.82 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.457 -0.338 . . . . 71.349999999999994 111.009 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.32 -29.07 59.9 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.939 0.4 . . . . 43.109999999999999 111.759 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.42 63.62 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.598 -0.274 . . . . 52.210000000000001 113.405 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.93 15.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 112.248 0.462 . . . . 73.129999999999995 112.248 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.74 128.4 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-O 121.205 0.526 . . . . 73.120000000000005 111.755 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.9 p -87.15 168.06 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.906 0.384 . . . . 73.25 111.693 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.93 -42.98 95.16 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.339 -0.391 . . . . 73.140000000000001 111.528 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.83 -42.98 98.81 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.117 0.484 . . . . 75.349999999999994 110.95 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HB3' HD21 ' A' ' 13' ' ' LEU . 14.3 mm-40 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.109 -0.496 . . . . 64.329999999999998 111.122 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 23' ' ' THR . 54.3 mtpt -62.89 -44.14 96.89 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.884 0.373 . . . . 71.25 111.573 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.56 83.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.993 0.425 . . . . 71.040000000000006 111.333 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 tt0 -67.02 -42.89 84.16 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.33 -0.395 . . . . 72.439999999999998 111.011 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.5 tt0 -51.89 -49.88 62.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.972 0.415 . . . . 55.539999999999999 111.067 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.1 tt0 -58.67 -48.7 80.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 111.308 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.51 -36.48 83.9 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 120.801 0.334 . . . . 70.340000000000003 111.536 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 85.2 mt -65.09 -39.56 93.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.014 0.435 . . . . 74.420000000000002 110.797 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 70.9 mtp85 -62.92 -36.29 82.91 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.015 0.436 . . . . 74.519999999999996 110.633 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 17.4 mm100 -63.91 -38.87 92.66 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.355 -0.384 . . . . 75.109999999999999 111.144 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.56 -45.28 93.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.904 0.383 . . . . 44.5 111.27 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 CA--C 1.544 0.726 0 CA-C-N 116.129 -0.487 . . . . 74.450000000000003 111.714 -178.593 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.698 0.629 . . . . 61.009999999999998 112.698 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.24 76.97 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.033 0.444 . . . . 64.349999999999994 111.463 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -79.14 -43.26 24.37 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.36 -0.382 . . . . 65.200000000000003 111.235 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.94 -47.01 92.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 120.741 0.305 . . . . 71.349999999999994 111.308 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.4 77.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.12 0.486 . . . . 74.099999999999994 110.947 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -53.48 -42.54 67.37 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.796 -0.638 . . . . 74.150000000000006 111.091 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -59.65 -44.26 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 111.489 0.181 . . . . 64.120000000000005 111.489 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -58.47 -43.56 88.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.947 0.403 . . . . 74.319999999999993 111.077 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 14.9 tp10 -59.0 -54.33 48.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.921 -0.581 . . . . 72.530000000000001 111.077 175.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.75 -35.76 77.22 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.012 -0.54 . . . . 72.319999999999993 111.646 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -50.99 71.38 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.317 -0.402 . . . . 72.049999999999997 110.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.57 73.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.042 0.449 . . . . 75.209999999999994 110.943 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 68.1 mttm -61.11 -39.18 89.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.992 -0.549 . . . . 63.340000000000003 111.422 175.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.06 96.09 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.505 -0.316 . . . . 64.530000000000001 111.748 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -19.13 58.58 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.782 0.325 . . . . 75.5 111.489 176.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.18 -22.98 26.68 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.877 0.37 . . . . 63.020000000000003 111.64 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.55 -0.8 89.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.364 -0.446 . . . . 54.049999999999997 113.682 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -88.87 12.96 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 112.427 0.529 . . . . 65.530000000000001 112.427 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 tt -84.36 126.13 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 121.074 0.464 . . . . 64.099999999999994 111.976 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.9 p -81.41 173.24 12.62 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.894 0.378 . . . . 74.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 30.9 mt-10 -65.66 -38.2 88.67 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.216 -0.302 . . . . 65.230000000000004 111.324 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -63.96 -40.71 97.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.596 0.236 . . . . 71.310000000000002 110.983 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.27 -30.93 69.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.755 0.312 . . . . 71.25 111.034 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 24' ' ' GLU . 59.5 mttm -63.26 -48.43 78.24 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.154 0.502 . . . . 73.329999999999998 110.567 171.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.24 86.46 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.009 -0.541 . . . . 55.439999999999998 110.961 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -59.27 -48.91 79.84 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.323 0.583 . . . . 73.109999999999999 110.701 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -57.52 -52.09 66.8 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.74 -0.664 . . . . 74.319999999999993 111.074 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.2 tt0 -57.45 -44.54 84.85 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.941 0.4 . . . . 75.120000000000005 111.116 177.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -52.69 -56.2 17.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.374 0.607 . . . . 71.329999999999998 111.263 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.86 -26.45 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.675 -0.693 . . . . 73.420000000000002 111.891 -177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 73.3 mtp85 -67.41 -35.38 79.15 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 122.12 -0.362 . . . . 74.209999999999994 110.338 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 86.6 mm-40 -63.56 -39.86 95.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.018 0.437 . . . . 73.129999999999995 110.396 172.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.2 -41.96 89.78 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.402 0.62 . . . . 55.109999999999999 110.38 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.542 0.636 0 CA-C-N 115.398 -0.819 . . . . 64.530000000000001 111.537 176.047 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.499 0.19 . . . . 72.140000000000001 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -133.53 145.3 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 121.267 0.556 . . . . 72.120000000000005 112.48 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -120.37 170.87 8.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.02 -0.536 . . . . 62.32 110.615 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -53.66 -39.77 65.34 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.052 0.389 . . . . 50.229999999999997 112.052 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.57 79.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.039 0.447 . . . . 75.310000000000002 111.431 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -74.91 -31.25 61.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.358 -0.383 . . . . 73.140000000000001 111.924 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.28 -45.3 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.115 0.483 . . . . 74.549999999999997 110.421 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.6 93.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.054 -0.521 . . . . 73.040000000000006 110.927 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.584 ' NH1' HD22 ' A' ' 13' ' ' LEU . 22.6 tpt180 -56.31 -43.67 79.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.043 -0.526 . . . . 64.420000000000002 111.156 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.97 -51.78 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 122.303 -0.248 . . . . 74.319999999999993 111.455 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.89 -32.78 72.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.987 0.422 . . . . 71.349999999999994 111.404 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.404 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 23.4 tt0 -61.59 -54.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.309 0.576 . . . . 55.219999999999999 110.793 173.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD22 ' NH1' ' A' ' 9' ' ' ARG . 65.1 mt -63.53 -44.82 93.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.568 -0.742 . . . . 73.530000000000001 111.483 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.83 73.27 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.288 -0.414 . . . . 74.109999999999999 110.863 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.85 93.96 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.109 0.481 . . . . 63.509999999999998 111.053 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 98.6 mttt -61.47 -38.71 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.305 -0.407 . . . . 73.319999999999993 111.204 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.47 64.95 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.062 0.458 . . . . 64.140000000000001 111.488 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -61.7 -31.84 72.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.096 -0.502 . . . . 75.150000000000006 110.998 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.71 26.9 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.383 -0.371 . . . . 64.010000000000005 111.721 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.91 -5.23 27.38 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 116.243 -0.435 . . . . 54.399999999999999 113.364 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.08 13.43 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.612 0.597 . . . . 72.329999999999998 112.612 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.2 tt -84.14 128.43 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 120.992 0.425 . . . . 74.209999999999994 111.908 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -84.43 165.67 17.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.125 0.488 . . . . 60.100000000000001 111.797 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 26.1 mm-40 -56.7 -39.18 73.4 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.952 -0.567 . . . . 75.530000000000001 111.989 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.28 -47.4 79.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.41 -0.359 . . . . 72.329999999999998 111.391 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HB3' HD21 ' A' ' 13' ' ' LEU . 9.7 mm-40 -59.33 -44.5 92.61 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.053 0.454 . . . . 72.0 110.643 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 22' ' ' ILE . 53.6 mtpt -56.95 -46.74 81.9 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.091 -0.504 . . . . 65.510000000000005 112.039 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.08 82.26 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.05 0.452 . . . . 74.109999999999999 111.684 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.88 -41.68 91.26 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.244 -0.435 . . . . 75.450000000000003 110.972 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.548 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 27.4 tt0 -52.17 -57.65 8.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.993 0.425 . . . . 63.310000000000002 111.274 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.87 -44.29 70.29 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.087 -0.506 . . . . 75.129999999999995 111.674 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -64.24 -51.58 62.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.603 0.24 . . . . 62.039999999999999 111.352 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.907 0.336 . . . . 63.329999999999998 111.907 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 81.4 mtp180 -59.96 -38.82 83.59 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.788 0.327 . . . . 74.239999999999995 110.676 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -66.77 -42.59 85.84 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.973 0.416 . . . . 75.049999999999997 110.99 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -56.39 -31.22 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.28 0.562 . . . . 54.439999999999998 110.475 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.09 -40.32 38.77 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.798 -0.637 . . . . 73.430000000000007 111.055 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 84.2 mt -67.26 -11.74 58.27 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.707 0.632 . . . . 64.319999999999993 112.707 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -50.07 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.771 0.32 . . . . 73.510000000000005 111.578 173.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.99 -12.79 61.03 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 121.249 -0.501 . . . . 37.439999999999998 113.667 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -73.85 121.08 20.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.006 0.431 . . . . 71.430000000000007 111.563 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -111.22 161.56 15.87 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.192 -0.458 . . . . 72.329999999999998 110.815 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.47 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 34.0 m -83.13 95.14 8.0 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.955 0.407 . . . . 72.439999999999998 111.569 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -56.77 -37.44 71.1 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.59 0.589 . . . . 72.109999999999999 112.59 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.1 ptm -60.4 -25.53 65.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.972 0.415 . . . . 72.030000000000001 112.027 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -117.73 -6.87 11.06 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.977 0.418 . . . . 72.239999999999995 111.092 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 tp 62.84 22.23 13.28 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.662 0.744 . . . . 72.420000000000002 110.388 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 33.8 tt0 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.622 -0.704 . . . . 61.240000000000002 111.829 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' LYS . 23.3 ptm . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.561 0.696 . . . . 37.979999999999997 110.28 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -72.01 123.99 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.535 -0.757 . . . . 74.25 112.823 -170.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 m -73.48 147.21 44.31 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.816 -0.629 . . . . 75.409999999999997 110.732 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -55.1 -32.56 62.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.04 0.385 . . . . 74.430000000000007 112.04 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.49 80.07 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.083 0.468 . . . . 71.230000000000004 111.589 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' HB3' HD23 ' A' ' 33' ' ' LEU . 95.5 mttt -67.07 -41.26 86.69 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.922 0.391 . . . . 74.129999999999995 110.657 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -57.43 -42.9 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.123 0.487 . . . . 74.209999999999994 110.837 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.46 76.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.02 0.438 . . . . 64.519999999999996 111.179 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -63.72 -38.7 92.09 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.201 -0.454 . . . . 75.010000000000005 110.994 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.19 -41.68 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 61.43 111.295 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -59.5 -37.05 77.26 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.078 0.466 . . . . 52.420000000000002 111.018 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.51 -57.6 7.82 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.123 0.487 . . . . 75.340000000000003 111.27 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 26' ' ' GLU . 83.1 mt -60.19 -40.11 88.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.926 -0.579 . . . . 73.129999999999995 111.986 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.99 97.03 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.94 0.4 . . . . 75.420000000000002 111.042 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.0 77.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.949 0.404 . . . . 73.439999999999998 110.958 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 97.2 mttt -56.89 -44.78 82.66 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.12 -0.491 . . . . 60.509999999999998 111.361 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.8 86.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.118 0.485 . . . . 74.310000000000002 111.58 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.664 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 7.2 ttpm? -62.81 -34.06 76.52 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.055 -0.52 . . . . 72.319999999999993 111.137 178.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.47 33.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.22 -0.445 . . . . 70.450000000000003 111.838 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.11 7.85 63.66 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.252 -0.499 . . . . 72.510000000000005 113.056 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.6 27.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.96 0.41 . . . . 63.43 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 17.1 tt -106.91 141.41 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 120.765 0.317 . . . . 73.519999999999996 111.444 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.7 p -88.1 158.77 18.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.429 0.633 . . . . 61.509999999999998 111.956 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -53.81 -37.29 63.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.659 -0.701 . . . . 64.310000000000002 111.957 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.5 -40.97 85.18 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.675 -0.238 . . . . 74.239999999999995 111.522 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 13' ' ' LEU . 28.7 mt-10 -71.34 -34.01 70.12 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 122.156 -0.34 . . . . 75.430000000000007 111.154 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -60.07 -43.3 95.54 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.066 0.46 . . . . 74.340000000000003 110.927 174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.16 96.86 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.026 0.441 . . . . 72.439999999999998 110.912 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -62.15 -39.83 93.94 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.345 -0.389 . . . . 74.099999999999994 110.927 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 50.2 tt0 -59.06 -48.22 82.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.996 0.426 . . . . 75.010000000000005 110.701 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -55.76 -46.79 77.79 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.92 -0.582 . . . . 71.349999999999994 110.966 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -54.91 -52.49 62.75 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.762 -0.654 . . . . 71.129999999999995 111.623 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD23 ' HB3' ' A' ' 6' ' ' LYS . 97.0 mt -63.84 -40.69 97.2 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.067 -0.515 . . . . 73.099999999999994 111.98 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 74.5 mtp180 -63.0 -38.86 92.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.611 0.243 . . . . 74.340000000000003 111.395 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.605 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 74.1 mm-40 -61.07 -53.19 60.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.725 0.297 . . . . 73.129999999999995 110.846 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -33.2 59.76 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.342 0.591 . . . . 74.0 110.707 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.405 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 67.5 t80 -64.67 -51.16 63.98 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.671 -0.695 . . . . 74.25 111.077 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.9 mt -60.05 -36.58 77.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.347 -0.388 . . . . 73.109999999999999 111.595 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.605 ' HD3' ' O ' ' A' ' 35' ' ' GLN . 13.4 mptt -60.01 103.13 0.2 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.003 0.43 . . . . 72.540000000000006 111.656 177.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.27 -14.73 64.65 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.16 -0.543 . . . . 72.519999999999996 113.423 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 81.0 t80 -69.58 -45.14 69.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.177 0.513 . . . . 71.219999999999999 111.063 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -96.26 141.03 30.08 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.981 -0.554 . . . . 73.120000000000005 111.074 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.2 t -140.08 143.93 36.56 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.738 0.304 . . . . 72.420000000000002 110.964 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.1 t -85.48 99.78 11.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.155 0.503 . . . . 73.219999999999999 110.864 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 46.0 tpp -73.13 93.28 1.8 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.502 0.667 . . . . 71.140000000000001 111.285 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -114.67 -172.1 2.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.93 -0.577 . . . . 74.200000000000003 111.16 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 47' ' ' LEU . 2.5 pt? -150.48 168.51 23.97 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.896 0.379 . . . . 74.400000000000006 111.022 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.71 -0.662 . . . . 73.319999999999993 111.843 178.148 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.519 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.4 pmm? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.736 0.303 . . . . 64.439999999999998 111.163 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -69.98 135.08 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 112.376 0.51 . . . . 74.099999999999994 112.376 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -80.77 144.9 31.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.176 -0.466 . . . . 72.109999999999999 110.784 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -57.21 -23.31 46.92 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.693 0.282 . . . . 70.239999999999995 111.723 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.03 91.38 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.119 0.485 . . . . 42.43 111.431 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -70.54 -36.97 73.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.435 -0.348 . . . . 70.430000000000007 110.896 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.95 -46.25 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.876 0.37 . . . . 63.450000000000003 111.033 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.0 81.55 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.161 0.505 . . . . 74.25 111.21 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.45 -44.72 96.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.989 -0.551 . . . . 74.340000000000003 111.034 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.9 -45.18 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.891 0.377 . . . . 64.519999999999996 110.814 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.32 -31.59 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.312 -0.404 . . . . 73.120000000000005 111.485 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -74.9 -50.63 16.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.94 0.4 . . . . 75.319999999999993 111.126 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD22 ' HB3' ' A' ' 26' ' ' GLU . 92.6 mt -60.96 -35.54 77.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.85 0.357 . . . . 70.319999999999993 111.2 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.86 85.46 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.944 0.402 . . . . 64.239999999999995 110.904 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.81 93.12 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.093 0.473 . . . . 62.210000000000001 110.943 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.74 -39.13 87.53 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.015 -0.539 . . . . 70.219999999999999 111.164 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.94 95.73 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.32 -0.4 . . . . 75.340000000000003 111.232 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.19 -38.53 91.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.088 0.47 . . . . 70.400000000000006 110.943 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.91 -9.59 59.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.296 -0.411 . . . . 72.25 111.676 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.89 5.31 64.54 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.469 -0.396 . . . . 41.32 113.909 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.14 -0.25 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 112.325 0.491 . . . . 71.150000000000006 112.325 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -75.27 131.52 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 120.745 0.307 . . . . 74.150000000000006 111.451 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 72.7 p -83.67 163.5 20.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.297 0.57 . . . . 64.140000000000001 112.174 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.39 -41.79 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.722 -0.672 . . . . 62.310000000000002 111.763 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.81 -44.94 84.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.831 0.348 . . . . 73.420000000000002 111.161 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.3 mt-10 -63.54 -33.47 75.66 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.772 0.32 . . . . 74.329999999999998 111.356 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 23' ' ' THR . 98.2 mttt -60.92 -49.78 76.06 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.946 0.403 . . . . 62.299999999999997 110.806 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.62 84.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.058 -0.519 . . . . 45.240000000000002 110.92 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.09 -46.51 88.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.179 -0.464 . . . . 74.5 111.377 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.0 tt0 -57.61 -44.44 85.5 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.768 0.318 . . . . 62.049999999999997 111.222 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -57.98 -47.71 82.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.891 0.376 . . . . 74.439999999999998 111.071 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.89 -49.12 76.5 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.861 -0.608 . . . . 73.329999999999998 111.59 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.86 -33.32 75.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.314 -0.403 . . . . 74.409999999999997 111.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 18.2 mtp180 -65.4 -30.61 71.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.706 0.289 . . . . 71.0 111.233 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -69.04 -39.21 79.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.829 0.347 . . . . 71.120000000000005 110.35 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -57.75 -39.54 77.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.283 0.563 . . . . 72.209999999999994 110.252 172.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.562 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 80.0 t80 -62.07 -49.0 77.72 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.588 -0.733 . . . . 74.349999999999994 111.054 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.59 -15.05 63.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.495 0.554 . . . . 72.5 112.495 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.63 90.65 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.176 0.512 . . . . 71.310000000000002 110.76 172.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.0 -44.14 1.68 Allowed Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.863 -0.608 . . . . 64.219999999999999 112.548 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 83.3 m-85 -78.0 137.9 38.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.217 0.532 . . . . 74.409999999999997 112.418 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 63.54 12.28 6.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.712 -0.676 . . . . 74.329999999999998 112.346 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -103.93 133.15 49.39 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.099 -0.5 . . . . 75.430000000000007 110.406 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.2 t -53.33 118.79 4.09 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.201 0.524 . . . . 75.349999999999994 112.165 -176.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -82.26 67.35 8.24 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.482 0.658 . . . . 71.430000000000007 111.36 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.24 107.76 7.56 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.304 0.573 . . . . 73.140000000000001 112.13 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.85 121.62 5.45 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.455 -0.793 . . . . 73.319999999999993 109.786 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.253 1.28 0 CA-C-O 118.678 -0.677 . . . . 65.430000000000007 112.239 -174.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.451 0.167 . . . . 75.239999999999995 111.146 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.451 HG23 ' HA ' ' A' ' 37' ' ' TYR . 12.2 tt -65.21 115.13 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.265 0.555 . . . . 73.340000000000003 111.498 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -69.33 153.0 44.3 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.097 -0.502 . . . . 60.100000000000001 112.092 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -56.51 -28.27 59.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.17 -0.468 . . . . 72.140000000000001 111.154 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.42 99.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.047 0.451 . . . . 43.520000000000003 110.905 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.2 mttt -68.31 -41.77 80.37 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.037 -0.529 . . . . 74.109999999999999 110.87 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.63 -47.07 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.008 0.432 . . . . 64.25 110.941 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.94 90.2 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.881 0.372 . . . . 52.140000000000001 110.982 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -60.62 -42.64 97.28 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.249 -0.432 . . . . 70.25 110.849 175.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.3 mt -57.08 -47.78 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.525 -0.307 . . . . 72.439999999999998 110.964 174.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -57.79 -43.37 85.57 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.487 -0.324 . . . . 71.010000000000005 111.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.38 -53.8 51.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.046 0.451 . . . . 75.209999999999994 111.404 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.0 mt -62.34 -39.59 93.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.13 -0.486 . . . . 44.329999999999998 111.376 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.32 77.58 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.994 0.426 . . . . 64.239999999999995 111.03 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.34 70.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.227 0.537 . . . . 73.099999999999994 110.287 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.22 -37.22 71.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.606 -0.725 . . . . 75.519999999999996 111.197 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.25 72.98 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.098 -0.501 . . . . 73.209999999999994 111.268 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -58.91 -42.72 90.3 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.362 -0.381 . . . . 73.109999999999999 111.195 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.73 60.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.268 0.47 . . . . 35.280000000000001 112.268 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.86 24.52 64.34 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.257 -0.497 . . . . 72.230000000000004 113.533 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.26 8.84 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.367 -0.49 . . . . 61.140000000000001 112.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.36 129.66 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 120.916 0.389 . . . . 74.420000000000002 111.531 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 50.1 p -89.65 171.98 9.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.288 0.477 . . . . 73.310000000000002 112.288 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.53 -59.84 3.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.369 0.507 . . . . 63.420000000000002 112.369 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -51.83 -40.87 61.22 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.003 -0.544 . . . . 74.040000000000006 111.781 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.496 ' HB3' HD22 ' A' ' 13' ' ' LEU . 41.9 mt-10 -70.53 -39.34 74.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 62.140000000000001 111.629 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 23' ' ' THR . 57.8 mtpt -61.13 -41.52 96.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.106 0.479 . . . . 65.140000000000001 110.877 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.84 86.56 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.935 -0.575 . . . . 74.420000000000002 111.149 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.479 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.5 tp10 -58.99 -43.81 91.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.052 -0.522 . . . . 64.340000000000003 110.662 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.8 -45.85 91.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.348 -0.387 . . . . 73.150000000000006 111.464 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.402 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -58.83 -50.66 73.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.287 0.565 . . . . 72.299999999999997 110.682 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -50.05 -49.81 49.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.45 -0.796 . . . . 74.200000000000003 111.953 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 89.6 mt -68.3 -34.02 75.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.385 -0.371 . . . . 75.329999999999998 111.748 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 24.3 mtp180 -63.93 -35.87 82.08 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.695 0.283 . . . . 74.109999999999999 110.279 174.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 26.2 mm-40 -62.95 -45.44 92.46 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.939 -0.393 . . . . 72.209999999999994 109.939 172.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.576 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 21.8 mm-40 -54.13 -42.78 69.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.048 -0.524 . . . . 60.109999999999999 110.99 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' HA ' HG23 ' A' ' 2' ' ' ILE . 49.2 t80 -68.46 -29.79 68.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.563 -0.744 . . . . 75.040000000000006 111.41 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.2 mt -80.13 -21.62 42.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.318 0.488 . . . . 72.109999999999999 112.318 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.576 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 44.1 mtmt -63.07 90.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.053 0.454 . . . . 63.009999999999998 111.434 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.07 -8.43 45.43 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.275 -0.488 . . . . 53.530000000000001 112.981 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -92.29 119.27 31.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.225 0.536 . . . . 74.510000000000005 111.955 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -119.01 168.68 10.58 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.902 -0.59 . . . . 72.129999999999995 110.132 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.79 135.5 15.33 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.653 0.612 . . . . 50.219999999999999 112.653 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -74.47 106.83 6.26 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.246 -0.433 . . . . 72.109999999999999 109.975 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.0 mtm -103.35 145.92 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.138 0.421 . . . . 74.150000000000006 112.138 -173.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -105.1 99.53 9.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.186 -0.461 . . . . 72.129999999999995 110.369 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -164.26 16.45 0.06 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.14 -0.482 . . . . 53.109999999999999 111.926 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.255 1.346 0 CA-C-O 118.577 -0.725 . . . . 72.530000000000001 111.158 -178.241 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.919 0.39 . . . . 75.439999999999998 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.416 HG21 ' HA ' ' A' ' 37' ' ' TYR . 16.4 tt -99.93 141.73 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.058 0.456 . . . . 71.25 111.699 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -108.37 161.15 15.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 111.123 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.83 -32.66 60.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 53.140000000000001 111.609 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.65 98.77 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.936 0.398 . . . . 71.239999999999995 111.338 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 97.5 mttt -67.71 -42.27 82.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.43 -0.35 . . . . 54.530000000000001 111.327 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.4 mt -58.68 -47.7 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.897 0.379 . . . . 61.539999999999999 111.402 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.15 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.995 0.426 . . . . 65.239999999999995 111.187 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -63.18 -42.36 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.868 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.39 -46.58 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.773 0.32 . . . . 74.239999999999995 111.051 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.64 -42.83 84.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.397 -0.365 . . . . 75.310000000000002 111.832 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -59.05 -57.74 11.73 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.496 0.665 . . . . 74.299999999999997 110.791 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 26' ' ' GLU . 65.4 mt -64.02 -27.26 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.582 -0.736 . . . . 63.130000000000003 111.762 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.6 71.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.056 0.455 . . . . 51.409999999999997 110.958 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.62 95.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.062 -0.517 . . . . 62.439999999999998 110.777 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -61.34 -40.59 94.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.03 -0.532 . . . . 72.420000000000002 111.848 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.97 88.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.851 0.358 . . . . 55.420000000000002 111.576 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -67.0 -36.47 82.23 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.908 0.385 . . . . 75.010000000000005 111.34 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.02 -22.82 55.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.91 0.385 . . . . 74.129999999999995 111.732 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.72 15.68 70.03 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.388 -0.434 . . . . 60.009999999999998 113.517 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.45 15.16 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 122.398 -0.472 . . . . 74.019999999999996 112.196 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -92.61 134.75 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.518 -0.31 . . . . 74.319999999999993 111.684 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -82.15 162.47 22.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.192 0.52 . . . . 71.430000000000007 112.124 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 16.2 mm-40 -57.74 -41.23 81.43 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.891 -0.595 . . . . 71.519999999999996 111.667 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.62 -50.22 74.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.783 0.325 . . . . 71.200000000000003 111.386 174.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.7 mt-10 -61.63 -33.36 73.8 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.688 0.28 . . . . 65.299999999999997 111.525 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.8 mtpt -64.59 -45.01 88.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.082 0.468 . . . . 64.519999999999996 111.136 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.38 97.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.055 0.455 . . . . 74.140000000000001 110.956 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.76 -44.14 97.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.787 -0.642 . . . . 75.25 110.614 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -57.71 -43.44 85.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.136 -0.483 . . . . 62.409999999999997 111.284 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.503 ' HG2' ' OE1' ' A' ' 35' ' ' GLN . 53.6 tt0 -63.06 -51.17 67.75 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.892 0.377 . . . . 72.310000000000002 110.41 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -47.59 -52.38 17.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.027 -0.533 . . . . 73.120000000000005 111.212 176.096 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 80.4 mt -63.53 -34.72 78.42 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.165 -0.47 . . . . 42.530000000000001 112.044 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 87.6 mtm180 -68.34 -34.5 76.2 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.266 -0.271 . . . . 75.010000000000005 111.676 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.503 ' OE1' ' HG2' ' A' ' 31' ' ' GLN . 1.5 mp0 -65.93 -40.85 91.76 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.995 -0.44 . . . . 72.109999999999999 110.253 169.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 9.0 mm-40 -54.4 -43.5 71.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.141 0.496 . . . . 72.099999999999994 110.432 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.416 ' HA ' HG21 ' A' ' 2' ' ' ILE . 78.0 t80 -65.68 -38.0 88.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.577 -0.738 . . . . 75.319999999999993 111.35 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 93.5 mt -72.56 -17.47 61.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.321 0.489 . . . . 71.319999999999993 112.321 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 75.0 mmtt -63.53 108.59 1.41 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.046 0.45 . . . . 74.120000000000005 110.861 177.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.98 -34.43 3.75 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.174 -0.536 . . . . 54.229999999999997 113.104 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.91 -42.46 93.92 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.953 0.406 . . . . 72.230000000000004 112.023 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -74.21 -31.73 62.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.755 0.312 . . . . 73.0 111.494 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.8 t 57.75 26.66 13.35 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.824 0.345 . . . . 52.240000000000002 111.737 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.0 p 57.21 11.43 1.07 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.717 0.807 . . . . 73.439999999999998 112.633 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 13.4 tpt -87.19 129.07 35.1 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.226 -0.296 . . . . 74.430000000000007 111.165 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 57.94 89.79 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.417 0.627 . . . . 72.299999999999997 111.831 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -115.76 117.18 29.51 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.789 -0.449 . . . . 70.219999999999999 109.789 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.252 1.227 0 CA-C-O 119.045 -0.503 . . . . 64.219999999999999 111.505 -177.415 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.707 0.289 . . . . 73.200000000000003 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.55 121.64 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 121.163 0.506 . . . . 75.239999999999995 111.354 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -64.71 144.04 57.51 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.228 -0.442 . . . . 65.120000000000005 111.615 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -53.98 -35.54 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.881 0.372 . . . . 75.340000000000003 111.898 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.41 87.32 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.215 -0.448 . . . . 70.400000000000006 111.391 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' O ' HG13 ' A' ' 10' ' ' ILE . 99.9 mttt -64.12 -45.94 86.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.363 -0.381 . . . . 74.519999999999996 110.935 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.6 -47.0 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.036 0.446 . . . . 51.140000000000001 111.071 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.93 96.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.149 0.499 . . . . 62.329999999999998 111.24 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.8 tpt180 -61.04 -37.08 81.36 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.035 -0.53 . . . . 71.040000000000006 111.03 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 6' ' ' LYS . 86.0 mt -58.63 -51.24 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 120.881 0.372 . . . . 73.040000000000006 111.029 175.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -58.43 -39.47 79.87 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.015 0.436 . . . . 71.340000000000003 111.63 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.01 -47.69 79.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.112 0.482 . . . . 73.299999999999997 111.068 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 26' ' ' GLU . 84.4 mt -71.01 -28.66 64.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.202 -0.453 . . . . 75.239999999999995 111.878 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.01 99.85 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 72.450000000000003 110.492 174.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.32 70.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.057 -0.52 . . . . 63.229999999999997 111.094 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -56.01 -37.38 69.09 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.018 0.437 . . . . 72.019999999999996 111.199 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -54.47 35.53 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.242 -0.435 . . . . 74.340000000000003 111.692 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -67.51 -20.88 65.49 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.862 0.363 . . . . 64.430000000000007 111.894 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.25 -17.19 35.36 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.909 0.385 . . . . 74.319999999999993 111.361 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.25 17.35 79.57 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.486 -0.387 . . . . 45.009999999999998 113.577 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -106.76 7.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 O-C-N 122.513 -0.404 . . . . 72.109999999999999 112.013 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -82.33 133.46 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 120.997 0.427 . . . . 75.120000000000005 111.826 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.1 p -76.03 155.15 35.16 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.548 -0.296 . . . . 73.400000000000006 110.808 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.586 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 4.4 mt-10 -66.14 -22.63 66.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.007 0.432 . . . . 71.420000000000002 111.434 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.81 -45.37 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.164 0.507 . . . . 73.140000000000001 110.209 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' HB3' HD21 ' A' ' 13' ' ' LEU . 47.9 mt-10 -70.69 -28.39 64.72 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.073 -0.512 . . . . 72.310000000000002 111.158 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 56.0 mtpt -65.37 -38.07 88.92 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.009 0.433 . . . . 65.310000000000002 110.616 172.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.16 72.98 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.039 -0.528 . . . . 65.129999999999995 110.952 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.01 -53.61 55.06 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.899 -0.591 . . . . 70.319999999999993 111.535 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.8 tt0 -55.77 -39.3 71.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.581 0.229 . . . . 73.109999999999999 111.437 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.8 tt0 -57.61 -43.9 85.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.916 0.389 . . . . 74.040000000000006 111.088 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.24 -51.55 69.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.339 0.59 . . . . 63.340000000000003 111.028 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.08 -37.72 75.02 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.616 -0.72 . . . . 75.25 111.84 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 80.9 mtp180 -65.33 -36.03 82.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.713 -0.221 . . . . 73.230000000000004 111.286 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 83.1 mm-40 -63.83 -45.99 87.11 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.901 0.381 . . . . 73.129999999999995 110.387 173.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.39 -45.56 65.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.357 0.598 . . . . 64.519999999999996 110.737 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -63.27 -33.72 76.12 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.175 -0.92 . . . . 73.099999999999994 112.006 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 89.6 mt -82.83 -17.84 42.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.912 0.708 . . . . 74.140000000000001 112.912 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -60.5 115.59 3.7 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.976 -0.453 . . . . 64.120000000000005 111.156 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.76 -28.77 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 116.149 -0.478 . . . . 44.039999999999999 112.373 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -76.75 130.02 37.12 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 122.598 -0.354 . . . . 74.540000000000006 110.77 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 64.76 28.44 12.94 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.245 0.545 . . . . 75.329999999999998 111.588 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.6 t -115.92 167.33 11.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.171 -0.468 . . . . 65.430000000000007 111.37 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -77.81 95.63 4.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.977 0.417 . . . . 71.019999999999996 111.404 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 49.4 ttm -74.69 123.64 25.28 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.252 -0.431 . . . . 71.310000000000002 110.41 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -97.19 7.44 46.58 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.73 0.641 . . . . 73.019999999999996 112.73 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 HD21 ' N ' ' A' ' 47' ' ' LEU . 2.5 pt? -142.51 166.94 23.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.029 0.442 . . . . 73.450000000000003 111.419 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.258 1.522 0 CA-C-O 118.583 -0.723 . . . . 62.109999999999999 110.939 177.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.888 0.375 . . . . 74.150000000000006 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.546 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 19.3 tt -105.51 137.94 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-O 121.16 0.505 . . . . 71.549999999999997 111.944 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -110.68 169.09 8.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.147 -0.479 . . . . 70.329999999999998 111.102 -178.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.64 -38.86 70.11 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.785 0.326 . . . . 73.400000000000006 111.176 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.89 95.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.958 0.409 . . . . 50.549999999999997 111.203 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 96.7 mttt -62.65 -45.58 92.19 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.399 -0.364 . . . . 75.049999999999997 110.86 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.28 -51.43 69.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.131 0.491 . . . . 72.400000000000006 111.19 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.74 76.42 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.185 -0.461 . . . . 72.150000000000006 111.636 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -70.29 -39.63 74.75 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.509 -0.314 . . . . 74.239999999999995 111.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.5 mt -62.22 -42.29 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.73 0.3 . . . . 73.319999999999993 111.113 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.25 -44.02 97.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.856 0.36 . . . . 73.319999999999993 110.943 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.483 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 11.7 tp10 -58.62 -53.16 61.45 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.989 -0.551 . . . . 64.099999999999994 111.476 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.508 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -67.19 -36.52 81.93 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.844 0.313 . . . . 74.230000000000004 111.844 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -33.14 75.07 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.162 0.506 . . . . 73.340000000000003 110.818 174.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.34 74.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.173 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 59.9 mttm -58.47 -35.4 72.12 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.224 -0.444 . . . . 73.120000000000005 111.034 174.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.41 75.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.876 0.37 . . . . 64.430000000000007 111.233 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -67.26 -22.8 65.66 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.895 0.379 . . . . 61.509999999999998 111.624 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.0 -10.88 34.7 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 70.219999999999999 111.701 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.55 -4.35 56.43 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.4 -0.364 . . . . 72.329999999999998 113.736 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.6 m -84.95 4.87 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 N-CA-C 112.822 0.675 . . . . 75.109999999999999 112.822 -174.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.22 122.99 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 120.822 0.344 . . . . 71.099999999999994 111.125 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.409 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 81.3 p -81.16 165.78 21.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.013 0.435 . . . . 70.230000000000004 111.808 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.527 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 14.2 mm-40 -53.98 -44.58 70.92 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.102 -0.499 . . . . 73.420000000000002 111.909 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.64 -46.29 90.84 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.43 -0.35 . . . . 64.129999999999995 111.779 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.508 ' HB3' HD22 ' A' ' 13' ' ' LEU . 67.0 mm-40 -67.18 -31.52 71.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.753 0.311 . . . . 65.209999999999994 111.56 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.527 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 57.9 mtpt -63.04 -45.6 91.51 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.093 0.473 . . . . 72.430000000000007 110.684 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.54 94.99 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.979 -0.555 . . . . 62.109999999999999 111.04 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.11 -52.75 62.62 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 111.164 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.23 -49.06 67.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.362 -0.381 . . . . 65.120000000000005 111.785 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -56.91 -40.88 77.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.303 0.573 . . . . 75.450000000000003 110.915 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -65.51 -47.9 74.38 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.666 -0.697 . . . . 73.109999999999999 111.835 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.16 -35.63 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.962 0.411 . . . . 62.229999999999997 111.198 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 83.9 mtt180 -69.71 -28.56 65.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.52 -0.309 . . . . 72.230000000000004 111.507 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 81.2 mm-40 -61.57 -42.76 99.32 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.047 0.451 . . . . 72.129999999999995 109.882 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.89 -35.41 74.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.087 -0.506 . . . . 61.32 110.932 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -70.29 -32.7 70.59 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.245 -0.434 . . . . 72.030000000000001 110.776 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 91.6 mt -76.66 -16.49 59.53 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.042 0.386 . . . . 63.25 112.042 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 31.6 mmmt -58.02 100.72 0.06 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.876 0.369 . . . . 64.450000000000003 111.071 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.95 20.08 73.93 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 121.044 -0.598 . . . . 54.100000000000001 113.02 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -89.98 147.97 23.37 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.899 0.381 . . . . 75.540000000000006 111.335 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -100.57 115.87 31.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.767 0.317 . . . . 64.019999999999996 111.58 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.7 t -164.15 147.63 9.58 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.804 0.335 . . . . 64.209999999999994 111.491 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -148.98 167.02 26.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.735 0.303 . . . . 72.209999999999994 111.113 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 mtt -113.23 130.47 56.22 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.897 0.38 . . . . 72.319999999999993 111.497 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.99 142.76 40.44 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.274 -0.421 . . . . 65.299999999999997 110.727 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 47' ' ' LEU . 1.8 pt? -131.89 136.12 47.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.326 0.584 . . . . 73.200000000000003 111.69 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.255 1.395 0 CA-C-O 118.639 -0.696 . . . . 73.019999999999996 111.206 179.598 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.154 0.502 . . . . 72.200000000000003 111.865 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.464 HG13 ' CB ' ' A' ' 6' ' ' LYS . 20.2 tt -104.92 138.75 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.457 0.54 . . . . 74.109999999999999 112.457 -174.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -122.8 -179.12 4.13 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 111.073 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -48.93 -50.19 36.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.452 0.538 . . . . 53.229999999999997 112.452 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.41 93.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.084 0.401 . . . . 70.209999999999994 112.084 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' CB ' HG13 ' A' ' 2' ' ' ILE . 98.9 mttt -63.9 -44.3 93.37 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.598 -0.274 . . . . 75.150000000000006 111.284 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.8 -55.95 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.154 0.502 . . . . 72.349999999999994 111.184 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.62 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.992 -0.549 . . . . 65.129999999999995 111.471 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -66.41 -40.89 89.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.718 -0.219 . . . . 74.219999999999999 111.413 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.86 -45.22 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.037 0.446 . . . . 65.430000000000007 110.662 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -63.01 -39.54 95.08 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.293 -0.412 . . . . 75.099999999999994 111.242 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.52 -57.26 13.47 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.078 0.466 . . . . 62.109999999999999 111.021 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.48 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -64.86 -33.29 75.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.732 -0.667 . . . . 70.219999999999999 111.731 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.11 86.58 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.029 0.442 . . . . 62.439999999999998 110.751 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.13 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 54.039999999999999 111.107 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.676 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 94.0 mttt -58.82 -39.45 81.25 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.238 -0.437 . . . . 73.519999999999996 111.468 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.22 80.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.926 0.393 . . . . 64.430000000000007 111.118 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -62.1 -31.02 71.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.912 -0.585 . . . . 71.439999999999998 111.053 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.52 36.26 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.254 -0.43 . . . . 51.229999999999997 111.935 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.04 83.32 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 121.517 -0.373 . . . . 53.409999999999997 113.644 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.12 -4.25 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-O 120.958 0.409 . . . . 74.340000000000003 112.004 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.676 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 14.8 tt -79.85 145.54 9.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.003 0.43 . . . . 74.310000000000002 111.611 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -95.67 151.84 18.99 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.399 -0.364 . . . . 71.129999999999995 111.022 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.82 -26.53 64.23 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.944 0.35 . . . . 74.329999999999998 111.944 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.28 -46.66 87.93 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.313 0.578 . . . . 72.25 110.763 173.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HB3' HD22 ' A' ' 13' ' ' LEU . 38.7 mt-10 -69.49 -33.61 73.11 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.829 -0.623 . . . . 75.129999999999995 111.008 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 55.5 mtpt -63.55 -45.68 89.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.739 0.304 . . . . 72.549999999999997 110.955 177.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.7 80.43 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.143 0.497 . . . . 44.340000000000003 110.888 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -61.72 -48.62 79.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.137 -0.483 . . . . 72.540000000000006 110.644 174.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.515 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.5 tt0 -55.1 -38.95 68.8 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.155 -0.475 . . . . 64.450000000000003 111.157 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 76.7 mt-30 -55.78 -53.14 60.27 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.922 0.391 . . . . 73.310000000000002 110.452 175.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB2' ' HZ3' ' A' ' 32' ' ' LYS . 3.4 ttmp? -52.11 -47.23 65.41 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.181 0.515 . . . . 74.140000000000001 111.049 177.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.1 mt -61.75 -40.51 95.39 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.755 -0.657 . . . . 73.530000000000001 111.628 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.523 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 77.6 mtp180 -62.44 -44.69 95.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.575 0.226 . . . . 64.25 111.085 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 2.4 mp0 -63.68 -35.3 80.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.749 0.309 . . . . 75.209999999999994 111.333 176.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.84 -33.4 75.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.173 0.511 . . . . 71.230000000000004 110.619 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -75.09 -34.91 61.79 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.464 -0.789 . . . . 75.310000000000002 111.154 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 85.5 mt -75.56 -21.68 57.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.362 0.504 . . . . 73.420000000000002 112.362 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 68.1 mttm -58.52 91.85 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.081 0.467 . . . . 74.230000000000004 111.496 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.04 -1.87 57.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.091 -0.504 . . . . 51.43 112.967 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -85.61 152.82 22.83 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.875 0.369 . . . . 72.109999999999999 111.212 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -56.08 -35.71 67.28 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.7 1.0 . . . . 73.319999999999993 113.7 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p -83.52 85.29 7.28 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.641 -0.662 . . . . 73.150000000000006 110.876 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t -87.19 -54.4 4.33 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.36 0.504 . . . . 52.020000000000003 112.36 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt 54.63 53.88 10.03 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.859 0.837 . . . . 73.209999999999994 110.367 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -75.49 156.16 35.45 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.459 -0.792 . . . . 75.540000000000006 111.822 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.8 mp -76.12 148.92 37.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.066 0.46 . . . . 72.420000000000002 111.681 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.945 -0.55 . . . . 61.549999999999997 111.628 -179.506 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.687 0.28 . . . . 70.140000000000001 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.52 129.62 37.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.998 0.428 . . . . 74.319999999999993 111.256 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -72.89 149.36 43.54 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.093 0.473 . . . . 74.549999999999997 111.715 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.89 -20.35 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.301 -0.408 . . . . 74.0 111.395 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.65 79.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.053 0.454 . . . . 72.120000000000005 110.828 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.499 ' O ' HG13 ' A' ' 10' ' ' ILE . 79.5 mttt -62.05 -45.19 94.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.269 -0.423 . . . . 74.040000000000006 110.856 174.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.6 -42.59 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.31 -0.405 . . . . 74.450000000000003 111.468 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.16 91.29 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.099 0.476 . . . . 64.219999999999999 110.854 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -58.54 -39.14 79.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.868 -0.606 . . . . 74.420000000000002 110.926 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.1 mt -61.25 -47.49 93.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.51 -0.314 . . . . 74.329999999999998 111.329 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.93 -43.82 98.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.149 0.499 . . . . 71.019999999999996 111.147 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -53.88 52.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.913 -0.585 . . . . 70.400000000000006 111.429 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD21 ' HD2' ' A' ' 16' ' ' LYS . 83.0 mt -65.93 -28.95 69.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.188 -0.46 . . . . 72.420000000000002 111.8 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.85 84.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.962 0.41 . . . . 64.5 111.02 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.81 85.85 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.051 -0.522 . . . . 72.420000000000002 111.188 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HD2' HD21 ' A' ' 13' ' ' LEU . 88.9 mttt -57.51 -39.98 77.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.855 0.36 . . . . 62.240000000000002 111.438 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.92 85.47 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.359 -0.382 . . . . 61.210000000000001 111.452 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -60.64 -42.35 96.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.215 0.531 . . . . 74.420000000000002 111.02 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.67 -21.04 59.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.071 -0.513 . . . . 72.310000000000002 111.798 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.72 77.22 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 121.48 -0.391 . . . . 60.420000000000002 113.668 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.74 11.33 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.133 0.492 . . . . 71.400000000000006 111.866 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 15.0 tt -87.92 132.06 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.268 -0.424 . . . . 73.140000000000001 111.382 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.6 p -77.76 159.98 28.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.043 0.449 . . . . 70.040000000000006 111.556 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -56.82 -42.16 79.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.099 -0.501 . . . . 70.049999999999997 111.219 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.28 -52.45 63.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.178 -0.465 . . . . 75.209999999999994 111.51 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -61.3 -35.22 76.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.216 -0.447 . . . . 72.299999999999997 111.662 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -63.71 -55.85 20.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 122.29 -0.256 . . . . 74.430000000000007 110.999 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.57 69.48 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.095 0.474 . . . . 51.409999999999997 111.201 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.48 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.0 tt0 -63.47 -52.5 61.08 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.989 -0.551 . . . . 73.450000000000003 111.086 176.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.519 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.2 tt0 -56.52 -42.92 79.22 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.566 0.222 . . . . 73.109999999999999 111.005 176.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.442 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 55.8 mt-30 -57.0 -45.93 82.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.613 0.244 . . . . 65.430000000000007 110.668 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -59.39 -46.84 87.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.901 0.381 . . . . 72.099999999999994 111.358 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 70.6 mt -59.7 -38.98 83.09 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 74.030000000000001 111.088 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.519 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 83.2 mtp180 -63.35 -37.72 88.35 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.939 0.4 . . . . 74.109999999999999 110.462 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 84.2 mm-40 -63.0 -43.24 99.32 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.009 0.433 . . . . 72.109999999999999 110.796 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.74 -29.94 70.53 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.291 -0.413 . . . . 64.420000000000002 111.229 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.02 -34.81 77.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.085 0.469 . . . . 71.120000000000005 110.722 171.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HA ' ' HB3' ' A' ' 41' ' ' PHE . 95.4 mt -77.35 -20.3 55.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.472 0.545 . . . . 64.120000000000005 112.472 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.32 104.01 0.29 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.96 0.409 . . . . 75.409999999999997 111.021 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.01 73.15 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 116.34 -0.391 . . . . 70.519999999999996 112.881 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . 72.5 t80 -80.22 95.5 6.31 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.273 0.558 . . . . 73.329999999999998 111.763 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -117.01 100.7 7.93 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.145 -0.687 . . . . 71.049999999999997 109.145 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p 61.62 -73.55 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.362 0.665 . . . . 65.310000000000002 109.615 -165.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 m 40.78 28.79 0.06 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.354 1.242 . . . . 71.409999999999997 114.354 168.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.23 108.84 15.21 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.058 -0.401 . . . . 74.439999999999998 111.654 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -127.6 105.12 8.27 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.197 0.522 . . . . 72.340000000000003 110.571 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -99.92 95.41 6.87 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.938 0.399 . . . . 62.119999999999997 110.261 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.253 1.269 0 CA-C-O 118.357 -0.83 . . . . 73.109999999999999 111.904 -179.713 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.706 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 110.435 -0.209 . . . . 52.229999999999997 110.435 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.516 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 13.2 tt -81.35 114.68 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 121.205 0.526 . . . . 72.430000000000007 111.085 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -61.71 143.9 55.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.193 -0.458 . . . . 64.219999999999999 111.237 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -53.08 -36.45 60.68 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.181 0.437 . . . . 74.5 112.181 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.05 79.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.089 0.471 . . . . 74.430000000000007 111.251 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.466 ' O ' HG13 ' A' ' 10' ' ' ILE . 64.4 mttp -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.25 -0.432 . . . . 74.340000000000003 110.831 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.86 -47.8 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.073 0.463 . . . . 64.040000000000006 110.695 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.56 80.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.16 -0.473 . . . . 37.0 111.104 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -63.69 -42.31 98.01 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.102 -0.499 . . . . 71.519999999999996 110.914 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 6' ' ' LYS . 71.2 mt -58.97 -45.86 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.735 0.302 . . . . 65.310000000000002 111.035 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -59.39 -41.7 90.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.049 0.452 . . . . 52.229999999999997 111.315 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.525 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 13.1 tp10 -63.85 -52.08 61.71 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.06 -0.518 . . . . 72.340000000000003 111.536 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD22 ' HB3' ' A' ' 26' ' ' GLU . 93.2 mt -64.22 -43.53 94.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.795 0.331 . . . . 72.430000000000007 111.393 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -58.85 -39.83 82.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.081 0.467 . . . . 62.539999999999999 110.707 176.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.82 98.04 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.016 0.436 . . . . 75.299999999999997 110.815 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 62.9 mttm -60.12 -35.89 76.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.854 0.359 . . . . 71.219999999999999 110.768 174.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -44.35 81.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.101 0.476 . . . . 74.239999999999995 111.127 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 28.0 mtpp -64.64 -26.89 68.58 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 65.109999999999999 111.083 176.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.32 -28.25 23.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.469 . . . . 61.399999999999999 111.537 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.71 7.56 61.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 116.422 -0.354 . . . . 62.409999999999997 113.422 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.12 -0.25 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 112.771 0.656 . . . . 62.219999999999999 112.771 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.44 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.0 tt -76.13 124.07 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.339 0.59 . . . . 75.209999999999994 112.286 -175.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.437 ' OG1' ' HG2' ' A' ' 26' ' ' GLU . 58.5 p -79.32 160.28 26.84 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.011 0.434 . . . . 74.099999999999994 111.88 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.7 -33.51 64.24 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.966 -0.561 . . . . 55.030000000000001 111.629 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -67.5 -48.71 66.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.294 -0.412 . . . . 72.129999999999995 110.991 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.51 ' HB3' HD22 ' A' ' 13' ' ' LEU . 36.7 mm-40 -60.88 -37.8 83.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.912 0.387 . . . . 73.049999999999997 110.774 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.44 ' HG3' HG12 ' A' ' 22' ' ' ILE . 57.2 mtpt -62.55 -40.33 96.48 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.276 -0.42 . . . . 54.420000000000002 111.461 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.74 77.02 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.917 0.389 . . . . 62.240000000000002 111.116 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 46.5 tp10 -61.3 -41.28 96.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 72.120000000000005 110.481 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 34' ' ' ARG . 29.2 tt0 -60.91 -38.55 86.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.361 . . . . 71.400000000000006 111.462 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.546 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 29.0 tt0 -61.59 -51.87 66.77 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.993 -0.373 . . . . 75.310000000000002 109.993 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.63 -56.79 8.76 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.522 -0.763 . . . . 70.0 111.969 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 79.4 mt -57.66 -38.97 76.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.307 -0.406 . . . . 72.319999999999993 111.414 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HA ' ' HB3' ' A' ' 37' ' ' TYR . 85.7 mtm180 -70.42 -24.21 62.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.876 0.324 . . . . 74.349999999999994 111.876 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.8 mm-40 -63.1 -47.17 83.99 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.774 -0.454 . . . . 73.430000000000007 109.774 172.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.516 ' HB3' ' HB ' ' A' ' 2' ' ' ILE . 64.4 mm-40 -62.11 -41.57 98.35 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.831 -0.622 . . . . 71.430000000000007 111.117 172.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' HB3' ' HA ' ' A' ' 34' ' ' ARG . 57.8 t80 -61.69 -37.62 84.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.848 -0.614 . . . . 75.140000000000001 111.619 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.6 mt -81.27 -78.1 0.19 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.227 0.454 . . . . 70.530000000000001 112.227 -178.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 51.33 36.19 15.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.935 0.397 . . . . 72.400000000000006 111.551 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.44 3.76 53.24 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 121.355 -0.45 . . . . 44.32 113.665 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.46 ' HD2' ' HG2' ' A' ' 42' ' ' ARG . 76.4 t80 -53.4 -50.4 65.24 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.981 0.512 . . . . 71.129999999999995 111.557 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.46 ' HG2' ' HD2' ' A' ' 41' ' ' PHE . 16.2 ptp180 -171.19 150.98 3.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.324 -0.398 . . . . 72.430000000000007 110.914 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 p -137.6 68.95 1.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.212 0.53 . . . . 43.530000000000001 111.078 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.4 p -78.2 155.92 30.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.141 -0.481 . . . . 73.129999999999995 111.393 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.592 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 88.0 mtp 63.76 9.74 4.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.141 -0.482 . . . . 53.520000000000003 112.03 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 84.0 tttt -68.29 108.52 3.23 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.75 -0.463 . . . . 62.109999999999999 109.75 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.495 ' HB3' ' O ' ' A' ' 46' ' ' LYS . 60.3 tp 76.05 -16.12 0.64 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.136 0.575 . . . . 75.420000000000002 111.792 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.592 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 38.3 mt-10 . . . . . 0 C--O 1.256 1.395 0 CA-C-O 118.707 -0.663 . . . . 70.340000000000003 111.736 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 121.079 0.466 . . . . 54.340000000000003 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.615 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 16.1 tt -112.35 141.81 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 121.268 0.556 . . . . 72.420000000000002 111.93 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -131.17 -179.84 5.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.25 -0.432 . . . . 71.230000000000004 110.901 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -55.23 -38.05 67.98 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.501 0.556 . . . . 74.209999999999994 112.501 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -50.08 74.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.63 0.252 . . . . 63.130000000000003 111.565 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.615 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 92.8 mttt -57.94 -42.96 85.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.509 0.195 . . . . 74.540000000000006 111.296 176.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.63 -47.49 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.842 0.353 . . . . 70.200000000000003 111.204 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.61 81.18 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.116 0.484 . . . . 72.319999999999993 111.037 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.63 -42.47 98.15 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.984 -0.553 . . . . 75.219999999999999 111.213 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 6' ' ' LYS . 73.2 mt -60.07 -48.97 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.702 0.287 . . . . 73.299999999999997 111.14 177.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -59.9 -40.37 88.56 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.827 0.346 . . . . 73.439999999999998 111.521 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.68 -52.22 65.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.139 0.495 . . . . 63.409999999999997 111.191 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 ' HB3' ' A' ' 26' ' ' GLU . 95.0 mt -63.26 -32.22 73.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.327 -0.397 . . . . 72.319999999999993 111.477 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -63.94 -45.97 86.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.013 0.435 . . . . 71.540000000000006 110.778 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.7 98.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.211 -0.449 . . . . 73.140000000000001 111.053 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -58.64 -37.94 77.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.889 0.376 . . . . 74.409999999999997 111.265 174.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.51 88.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.375 -0.375 . . . . 73.25 111.288 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.664 ' HB3' ' HZ2' ' A' ' 18' ' ' LYS . 5.6 mtpm? -63.36 -42.17 98.87 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.17 0.51 . . . . 73.450000000000003 111.076 176.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.39 56.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.14 -0.482 . . . . 73.420000000000002 111.732 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.05 46.81 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.334 -0.46 . . . . 64.400000000000006 113.189 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.08 -0.2 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 112.464 0.542 . . . . 70.430000000000007 112.464 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 tt -82.75 133.34 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.015 0.376 . . . . 75.0 112.015 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 p -85.65 168.66 14.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.255 0.55 . . . . 65.040000000000006 112.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.4 -31.55 72.71 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.026 -0.534 . . . . 51.340000000000003 111.894 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.35 -45.54 76.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.996 0.427 . . . . 72.109999999999999 111.004 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.456 ' HB3' HD21 ' A' ' 13' ' ' LEU . 8.3 mm-40 -61.36 -42.91 99.47 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.202 0.525 . . . . 75.230000000000004 110.643 175.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.57 -41.85 91.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 63.200000000000003 111.283 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . -59.34 -42.83 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.345 -0.389 . . . . 71.099999999999994 110.917 176.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -63.38 -45.8 89.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.403 -0.362 . . . . 75.239999999999995 110.819 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 35.4 tt0 -53.8 -46.01 70.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.908 0.385 . . . . 72.200000000000003 110.818 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -53.48 -52.8 58.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.074 0.464 . . . . 71.349999999999994 111.222 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 28' ' ' ALA . 88.6 mttt -58.56 -43.53 89.38 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.861 -0.608 . . . . 61.439999999999998 111.597 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.28 -38.69 91.93 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.294 -0.412 . . . . 65.439999999999998 111.165 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 62.4 mtp85 -65.64 -35.49 80.95 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.318 -0.401 . . . . 74.340000000000003 111.135 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 30.4 mm-40 -64.64 -41.14 96.35 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.872 0.368 . . . . 72.129999999999995 110.314 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.25 -36.81 81.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.277 -0.42 . . . . 70.109999999999999 110.957 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 85.0 t80 -66.61 -32.48 73.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.118 -0.492 . . . . 72.230000000000004 111.122 176.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.3 mt -76.79 -23.24 52.87 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.397 -0.365 . . . . 70.129999999999995 111.841 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 32.2 mmmt -56.53 106.85 0.32 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.011 0.434 . . . . 74.420000000000002 111.383 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.29 54.63 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.205 -0.521 . . . . 64.349999999999994 113.392 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 82.8 t80 -66.94 -46.67 74.03 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 117.15 0.475 . . . . 64.200000000000003 111.013 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -107.96 178.56 4.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.411 -0.359 . . . . 72.219999999999999 111.078 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -80.75 131.15 35.4 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.066 0.46 . . . . 74.329999999999998 111.896 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.4 m -96.48 97.01 9.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.058 0.456 . . . . 74.420000000000002 110.698 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.9 mmt -92.1 138.45 31.52 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.453 0.538 . . . . 75.030000000000001 112.453 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -85.61 5.01 33.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.065 -0.516 . . . . 65.340000000000003 110.831 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' H ' HD21 ' A' ' 47' ' ' LEU . 1.3 pt? -119.71 152.31 37.37 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.775 -0.648 . . . . 61.310000000000002 110.41 177.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.348 -0.834 . . . . 74.010000000000005 112.181 -175.327 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.703 0.287 . . . . 70.409999999999997 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.552 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 18.5 tt -92.33 122.07 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-O 121.422 0.629 . . . . 71.140000000000001 112.57 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -99.06 168.05 10.33 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.961 -0.563 . . . . 71.450000000000003 110.98 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -59.32 -30.78 68.6 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.177 0.436 . . . . 70.530000000000001 112.177 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.97 93.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 53.329999999999998 111.206 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.552 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 98.8 mttt -66.52 -43.58 84.84 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.253 -0.43 . . . . 74.430000000000007 110.66 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.68 -45.74 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.098 0.475 . . . . 75.450000000000003 111.01 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.07 85.94 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.2 -0.454 . . . . 42.539999999999999 111.541 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 23.1 tpt180 -62.8 -41.76 99.42 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.461 -0.336 . . . . 75.409999999999997 111.021 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 6' ' ' LYS . 67.5 mt -58.26 -52.81 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.564 0.221 . . . . 73.530000000000001 111.532 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -55.82 -42.02 75.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.85 0.357 . . . . 62.32 111.354 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' HG2' ' HE2' ' A' ' 16' ' ' LYS . 36.6 tt0 -61.84 -47.0 87.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.973 0.416 . . . . 71.310000000000002 111.222 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 68.5 mt -63.75 -29.56 70.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.451 -0.341 . . . . 75.310000000000002 111.285 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.15 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.221 0.534 . . . . 73.129999999999995 110.792 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -48.91 60.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.083 0.468 . . . . 36.619999999999997 110.725 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HD2' HD21 ' A' ' 13' ' ' LEU . 67.9 mttm -57.89 -36.53 72.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.96 -0.563 . . . . 55.130000000000003 111.717 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.67 64.58 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.993 0.425 . . . . 71.400000000000006 111.102 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -61.22 -40.41 93.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 111.426 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.55 60.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.946 0.35 . . . . 72.230000000000004 111.946 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.54 5.23 89.69 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 121.288 -0.482 . . . . 64.329999999999998 113.379 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.48 12.93 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.271 0.471 . . . . 50.310000000000002 112.271 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -81.62 129.97 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.922 0.391 . . . . 73.420000000000002 111.404 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.49 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 66.4 p -81.79 164.77 21.44 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.14 0.495 . . . . 74.120000000000005 112.121 -178.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.44 -42.81 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.824 -0.626 . . . . 63.0 111.199 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.58 -47.31 86.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.792 -0.64 . . . . 70.510000000000005 111.276 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 9' ' ' ARG . 71.6 mm-40 -64.4 -31.62 72.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.539 -0.3 . . . . 74.230000000000004 111.654 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' HG3' ' O ' ' A' ' 23' ' ' THR . 99.5 mttt -64.98 -48.47 73.91 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.018 0.437 . . . . 62.32 111.063 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.42 91.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.223 -0.444 . . . . 73.450000000000003 111.138 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.77 -36.19 83.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 73.409999999999997 111.268 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.39 -47.82 80.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.016 0.436 . . . . 64.439999999999998 110.679 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.9 mt-30 -60.82 -50.06 74.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.016 -0.538 . . . . 55.020000000000003 110.588 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -52.66 -44.26 66.04 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.357 -0.838 . . . . 63.32 111.864 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.81 -41.56 91.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.918 0.389 . . . . 74.430000000000007 111.369 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 18.0 mtp180 -66.12 -28.23 68.65 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.527 -0.306 . . . . 64.030000000000001 111.643 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.7 mm-40 -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.091 0.472 . . . . 63.350000000000001 109.855 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.89 -37.18 76.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.78 -0.645 . . . . 74.129999999999995 111.211 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -69.76 -28.22 65.59 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.146 -0.479 . . . . 71.040000000000006 111.304 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 93.0 mt -82.2 -17.63 45.49 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.069 0.396 . . . . 72.109999999999999 112.069 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -57.74 95.78 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.927 0.394 . . . . 73.400000000000006 111.398 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.18 2.14 71.47 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.352 -0.452 . . . . 73.420000000000002 113.604 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.9 110.66 21.9 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.464 -0.433 . . . . 75.340000000000003 111.227 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -161.33 178.35 9.28 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.019 0.437 . . . . 61.119999999999997 111.818 -177.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -108.54 122.29 46.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.357 -0.383 . . . . 62.240000000000002 110.59 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.6 m -147.61 152.61 38.2 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.872 0.368 . . . . 71.439999999999998 111.737 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -81.51 157.88 24.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.0 0.429 . . . . 75.239999999999995 111.47 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -77.6 89.4 3.91 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.104 0.478 . . . . 74.430000000000007 111.781 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.69 94.52 8.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.395 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.253 1.267 0 CA-C-N 116.155 -0.475 . . . . 65.430000000000007 112.031 -178.302 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptp . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.463 0.173 . . . . 72.030000000000001 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.643 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 13.6 tt -154.93 114.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.377 0.608 . . . . 75.519999999999996 112.265 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -107.49 -176.83 3.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.173 -0.467 . . . . 64.439999999999998 111.367 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.62 -39.1 64.67 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.267 0.839 . . . . 71.530000000000001 113.267 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.79 84.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.088 0.47 . . . . 74.129999999999995 111.907 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.643 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 56.0 mttp -70.2 -39.05 75.41 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.875 0.369 . . . . 72.510000000000005 111.218 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.36 -47.59 91.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.896 0.379 . . . . 71.120000000000005 110.947 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.4 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.159 0.504 . . . . 74.530000000000001 111.092 175.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.468 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 24.4 tpt180 -61.79 -49.09 77.76 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.15 -0.477 . . . . 73.319999999999993 110.399 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 6' ' ' LYS . 69.4 mt -57.25 -47.69 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.555 -0.293 . . . . 75.129999999999995 111.168 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -55.29 -51.2 67.43 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.948 0.404 . . . . 74.420000000000002 111.47 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.4 tp10 -56.94 -49.31 76.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.082 0.467 . . . . 64.439999999999998 110.656 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.5 mt -62.55 -32.49 73.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.14 -0.482 . . . . 72.510000000000005 111.675 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.87 94.89 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.161 0.505 . . . . 70.129999999999995 111.182 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.33 76.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.139 -0.482 . . . . 65.140000000000001 111.093 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.9 mtpm? -59.04 -35.69 73.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.115 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.27 38.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.406 -0.361 . . . . 70.450000000000003 111.368 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -60.52 -31.56 70.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.956 0.408 . . . . 74.430000000000007 111.679 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.98 -12.93 58.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 111.898 0.333 . . . . 73.040000000000006 111.898 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.18 -1.54 88.52 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.298 -0.477 . . . . 72.230000000000004 113.12 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.69 28.46 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-O 121.404 0.621 . . . . 75.310000000000002 112.044 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.18 135.18 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 120.872 0.367 . . . . 72.030000000000001 110.791 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.485 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 31.9 p -84.76 161.12 20.11 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.101 0.476 . . . . 74.230000000000004 111.41 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.25 -34.78 74.19 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.103 -0.498 . . . . 73.25 111.17 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.26 -47.35 73.99 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 60.25 110.962 175.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.509 ' HB3' HD22 ' A' ' 13' ' ' LEU . 52.1 mt-10 -57.36 -41.06 79.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.924 0.392 . . . . 73.340000000000003 111.388 176.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 53.4 mtpt -61.63 -47.46 85.33 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.465 -0.334 . . . . 74.219999999999999 110.946 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.98 84.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.948 0.404 . . . . 65.310000000000002 111.305 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -61.34 -47.4 86.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.946 -0.57 . . . . 53.240000000000002 111.218 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 36.4 tt0 -55.69 -50.69 69.6 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.264 -0.425 . . . . 74.340000000000003 111.006 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 13.3 mm100 -55.29 -41.9 72.93 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.203 0.525 . . . . 74.200000000000003 111.089 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -59.93 -51.0 71.58 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.9 -0.591 . . . . 74.540000000000006 111.002 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.01 -30.97 71.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.991 -0.55 . . . . 75.230000000000004 111.844 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 62.9 mtp180 -65.34 -43.4 91.03 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.833 0.349 . . . . 75.319999999999993 111.056 176.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.86 -36.37 84.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.995 0.426 . . . . 64.129999999999995 110.966 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.649 ' HA ' ' HZ3' ' A' ' 39' ' ' LYS . 9.8 mm-40 -67.3 -39.85 85.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.294 -0.412 . . . . 71.150000000000006 111.45 173.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.14 -42.23 80.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.164 -0.471 . . . . 73.239999999999995 111.705 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 96.7 mt -80.22 -61.05 2.1 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.088 0.403 . . . . 73.400000000000006 112.088 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.649 ' HZ3' ' HA ' ' A' ' 36' ' ' GLU . 40.3 mmtm 61.23 86.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.061 0.458 . . . . 73.120000000000005 111.807 -173.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.97 -34.59 3.71 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 120.855 -0.688 . . . . 65.230000000000004 114.242 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 38' ' ' LEU . 22.2 m-85 -56.81 130.31 45.1 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 117.108 0.454 . . . . 74.109999999999999 112.049 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.1 mtt85 72.06 -56.97 0.63 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.057 0.762 . . . . 70.319999999999993 113.057 177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.4 p -61.6 -33.41 73.85 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.068 -0.395 . . . . 74.099999999999994 111.588 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t 59.42 18.61 6.98 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 111.666 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.4 tpt -70.25 126.81 30.72 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.36 -0.382 . . . . 74.519999999999996 111.463 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.2 mptt -84.88 42.62 0.94 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.836 0.351 . . . . 65.329999999999998 111.627 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -70.27 84.69 0.56 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.394 0.616 . . . . 63.25 110.529 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.255 1.371 0 CA-C-O 118.696 -0.669 . . . . 54.530000000000001 111.418 -174.569 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.858 0.361 . . . . 72.230000000000004 111.517 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tp -67.25 147.81 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-O 121.175 0.512 . . . . 73.200000000000003 112.021 -178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -136.59 165.13 26.6 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.33 -0.395 . . . . 71.030000000000001 110.433 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.71 -35.64 76.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.111 0.481 . . . . 62.219999999999999 110.512 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.65 96.46 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.125 -0.489 . . . . 62.140000000000001 111.196 174.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.15 -44.32 96.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.512 -0.313 . . . . 72.239999999999995 111.302 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.91 -42.39 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.95 0.405 . . . . 73.349999999999994 110.684 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.25 85.91 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.05 0.452 . . . . 73.400000000000006 110.915 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -63.64 -35.51 80.78 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.215 -0.448 . . . . 75.450000000000003 111.043 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.54 -55.97 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 120.607 0.242 . . . . 74.099999999999994 111.116 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -55.52 -36.94 67.27 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.946 0.403 . . . . 55.43 111.225 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 10.4 tp10 -65.77 -63.29 1.12 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.007 -0.542 . . . . 73.219999999999999 111.248 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD22 ' HB3' ' A' ' 26' ' ' GLU . 75.4 mt -57.09 -39.45 75.04 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.279 0.474 . . . . 74.420000000000002 112.279 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.225 0.536 . . . . 72.519999999999996 110.908 176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.16 96.82 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.105 -0.498 . . . . 55.420000000000002 110.963 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 7.6 mtpm? -63.85 -31.78 73.07 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.137 -0.483 . . . . 64.439999999999998 111.104 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -41.83 73.23 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.905 0.383 . . . . 73.340000000000003 110.724 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -59.94 -43.12 95.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.069 -0.514 . . . . 74.439999999999998 111.171 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.97 -10.95 59.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.132 -0.485 . . . . 74.200000000000003 112.191 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.33 18.21 80.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.232 -0.508 . . . . 53.520000000000003 113.458 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -103.44 23.99 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.245 0.545 . . . . 74.019999999999996 111.778 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -99.07 132.08 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 120.978 0.418 . . . . 74.239999999999995 111.115 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.7 p -91.54 166.51 12.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.867 0.365 . . . . 72.439999999999998 111.96 -178.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -52.93 -46.31 68.03 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.308 -0.405 . . . . 73.310000000000002 111.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.6 -48.22 81.69 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.31 -0.404 . . . . 74.349999999999994 110.729 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.4 mt-10 -61.92 -40.23 94.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.352 -0.385 . . . . 75.540000000000006 111.833 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' THR . 59.4 mtpt -61.13 -39.41 89.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.947 0.403 . . . . 71.340000000000003 110.73 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.59 92.86 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.129999999999995 111.252 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 18.8 tp10 -66.92 -41.33 87.24 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.688 -0.233 . . . . 75.420000000000002 111.303 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.522 ' HA ' HD13 ' A' ' 33' ' ' LEU . 10.0 tt0 -57.68 -39.56 77.41 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.098 0.475 . . . . 74.319999999999993 111.283 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.46 -53.28 59.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.498 0.666 . . . . 73.200000000000003 109.989 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -56.76 -35.76 69.01 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.136 -0.938 . . . . 71.209999999999994 111.946 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 30' ' ' GLN . 92.3 mt -67.35 -44.71 78.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.064 0.459 . . . . 73.129999999999995 111.601 177.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -67.66 -36.12 80.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.297 -0.411 . . . . 75.340000000000003 111.505 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.85 -31.48 72.51 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.059 0.456 . . . . 74.409999999999997 111.035 171.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.38 -41.19 69.99 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.13 0.49 . . . . 73.150000000000006 110.973 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.72 -34.11 77.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.777 -0.647 . . . . 61.420000000000002 111.298 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD11 ' HB3' ' A' ' 43' ' ' SER . 95.6 mt -87.26 -59.51 2.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.178 -0.465 . . . . 63.039999999999999 111.891 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.476 ' HE3' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER 56.57 61.94 2.48 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.374 0.607 . . . . 73.420000000000002 111.134 -174.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.75 -28.53 13.74 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 113.539 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.01 161.09 27.41 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.501 0.651 . . . . 73.420000000000002 111.964 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -94.93 129.63 41.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.092 -0.503 . . . . 74.25 111.932 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.609 ' HB3' HD11 ' A' ' 38' ' ' LEU . 60.4 p -89.89 68.77 7.43 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.114 0.483 . . . . 64.140000000000001 111.021 176.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 p -91.12 111.27 22.67 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.077 -0.51 . . . . 45.520000000000003 111.252 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.698 ' HA ' ' HE2' ' A' ' 45' ' ' MET . 15.7 mmt -92.8 155.31 17.73 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.25 0.548 . . . . 73.230000000000004 112.443 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -84.81 -6.27 59.35 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.132 0.492 . . . . 63.299999999999997 111.4 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 48' ' ' GLU . 1.9 tm? -85.93 137.22 32.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.287 -0.415 . . . . 64.430000000000007 110.39 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.509 ' N ' HD13 ' A' ' 47' ' ' LEU . 39.8 mt-10 . . . . . 0 C--O 1.253 1.284 0 CA-C-O 118.788 -0.625 . . . . 63.240000000000002 112.555 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.546 0.212 . . . . 60.420000000000002 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.496 HG21 ' HA ' ' A' ' 37' ' ' TYR . 16.2 tt -89.96 144.37 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.012 0.434 . . . . 72.450000000000003 112.013 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -108.67 163.55 13.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.323 -0.398 . . . . 73.0 111.519 176.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.81 -41.69 64.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 64.129999999999995 111.841 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.7 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.873 0.368 . . . . 72.349999999999994 111.471 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.59 -32.34 73.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.59 0.233 . . . . 75.019999999999996 111.577 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.87 -43.01 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.232 0.539 . . . . 70.140000000000001 110.453 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.82 88.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.143 0.497 . . . . 62.420000000000002 110.692 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.9 tpt180 -60.03 -41.56 92.48 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.893 -0.594 . . . . 75.510000000000005 110.857 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.71 -47.81 91.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.632 -0.258 . . . . 74.299999999999997 111.26 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -57.22 -45.5 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.644 0.259 . . . . 73.099999999999994 111.365 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -58.34 -52.74 64.34 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.014 0.435 . . . . 74.420000000000002 111.387 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.1 mt -64.21 -27.91 69.38 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 111.333 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.01 77.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.133 0.492 . . . . 72.219999999999999 110.854 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.36 86.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.182 0.515 . . . . 71.010000000000005 110.461 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.82 -44.26 90.82 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.075 -0.511 . . . . 73.349999999999994 111.199 175.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.43 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.923 0.392 . . . . 72.400000000000006 111.228 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -61.46 -31.47 71.43 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.998 0.428 . . . . 62.210000000000001 111.208 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.6 -12.11 40.72 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.381 -0.372 . . . . 43.509999999999998 111.894 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.44 0.98 80.79 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.477 -0.392 . . . . 74.140000000000001 113.651 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 m -88.94 9.43 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 112.219 0.452 . . . . 74.019999999999996 112.219 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -80.52 135.91 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.888 0.375 . . . . 73.120000000000005 111.181 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 29.8 p -82.94 161.33 21.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.106 0.479 . . . . 74.400000000000006 111.229 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.7 -35.74 75.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.15 0.5 . . . . 73.409999999999997 111.314 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.1 -44.72 79.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.954 -0.567 . . . . 71.510000000000005 110.965 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.519 ' HB3' HD22 ' A' ' 13' ' ' LEU . 61.6 mt-10 -64.03 -33.96 76.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.981 0.42 . . . . 75.209999999999994 111.152 176.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.756 ' HZ1' ' HB3' ' A' ' 27' ' ' LYS . 9.8 mtpm? -62.93 -44.93 94.75 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.45 -0.341 . . . . 73.439999999999998 110.79 174.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.03 90.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.157 0.503 . . . . 64.010000000000005 110.781 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.34 -51.98 66.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.901 -0.59 . . . . 73.099999999999994 111.289 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.462 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 36.6 tt0 -54.09 -49.51 68.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.508 -0.315 . . . . 72.299999999999997 111.49 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.34 -47.47 83.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.844 0.354 . . . . 64.430000000000007 110.868 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.71 -50.65 69.74 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.195 -0.457 . . . . 74.040000000000006 111.366 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.83 -30.3 71.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 111.597 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.0 mtp85 -64.8 -41.14 96.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 74.430000000000007 111.518 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.22 -43.3 95.38 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 122.081 -0.387 . . . . 73.019999999999996 110.838 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.95 -31.14 71.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 63.439999999999998 111.327 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.496 ' HA ' HG21 ' A' ' 2' ' ' ILE . 87.5 t80 -68.65 -36.88 79.17 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.12 -0.491 . . . . 74.019999999999996 111.172 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 89.1 mt -68.59 -30.15 68.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.901 0.382 . . . . 73.340000000000003 111.401 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.18 96.29 0.15 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.095 0.474 . . . . 62.219999999999999 111.466 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.35 -3.55 43.6 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.146 -0.549 . . . . 61.32 113.017 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -94.96 152.75 18.07 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.44 0.296 . . . . 71.349999999999994 110.624 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.79 -4.87 0.77 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.805 1.039 . . . . 64.420000000000002 113.805 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 t -68.28 104.2 1.79 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.023 0.44 . . . . 73.209999999999994 111.462 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.2 p -71.62 89.23 0.98 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.185 -0.461 . . . . 65.040000000000006 111.028 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 94.0 mmm -85.14 -44.01 13.34 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.948 0.404 . . . . 72.140000000000001 111.612 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -92.8 90.08 6.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.007 0.432 . . . . 63.43 110.102 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -79.74 116.35 19.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.012 0.434 . . . . 73.510000000000005 111.85 -177.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.584 -0.722 . . . . 75.340000000000003 110.913 176.647 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.601 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.841 0.353 . . . . 72.230000000000004 111.022 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.571 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 18.2 tt -93.74 152.13 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 112.731 0.641 . . . . 70.140000000000001 112.731 -173.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -132.87 171.14 14.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.617 -0.72 . . . . 71.430000000000007 110.245 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -54.22 -37.56 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 111.712 0.264 . . . . 75.200000000000003 111.712 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.94 91.17 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 64.019999999999996 111.452 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.571 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 98.4 mttt -68.68 -39.14 80.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.185 -0.461 . . . . 54.350000000000001 111.155 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.88 -44.18 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 121.093 0.473 . . . . 74.239999999999995 110.677 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.95 75.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.227 -0.442 . . . . 50.310000000000002 111.192 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.08 -44.83 87.64 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.244 -0.434 . . . . 72.310000000000002 111.034 176.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.54 -45.74 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 120.816 0.341 . . . . 73.420000000000002 111.211 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.78 -42.53 89.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.309 0.576 . . . . 72.439999999999998 111.189 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 34.7 tt0 -60.84 -60.72 3.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.821 -0.627 . . . . 72.430000000000007 111.534 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' HB3' ' A' ' 26' ' ' GLU . 81.5 mt -61.6 -28.95 69.72 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.926 -0.579 . . . . 74.530000000000001 111.793 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.07 90.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.054 0.454 . . . . 74.219999999999999 110.793 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.25 79.21 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.935 0.398 . . . . 64.109999999999999 110.914 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.461 ' HZ2' ' HB3' ' A' ' 16' ' ' LYS . 6.4 mtpm? -58.82 -32.67 69.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.265 -0.425 . . . . 75.230000000000004 110.802 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.66 74.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.295 -0.411 . . . . 74.420000000000002 111.387 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -70.02 -27.14 64.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.736 0.303 . . . . 62.520000000000003 111.346 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.42 -14.03 33.72 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 120.885 0.374 . . . . 71.340000000000003 111.838 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.96 -8.47 73.04 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.231 -0.509 . . . . 60.340000000000003 113.317 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.415 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 34.6 m -83.34 27.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 N-CA-C 112.196 0.443 . . . . 74.209999999999994 112.196 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.81 127.27 58.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.8 0.333 . . . . 74.239999999999995 110.79 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.429 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 32.2 p -74.82 161.93 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.911 -0.493 . . . . 74.019999999999996 111.454 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.29 -34.77 72.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.261 0.553 . . . . 72.340000000000003 110.838 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.19 -42.66 68.73 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.906 -0.588 . . . . 73.519999999999996 111.25 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HB3' HD21 ' A' ' 13' ' ' LEU . 50.6 mt-10 -61.52 -35.45 77.76 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.662 0.267 . . . . 73.400000000000006 111.02 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 23' ' ' THR . 58.6 mtpt -63.24 -37.49 87.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.799 0.333 . . . . 74.510000000000005 110.811 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.69 -38.25 76.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.175 -0.466 . . . . 72.099999999999994 111.333 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -64.98 -46.38 81.73 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.106 0.479 . . . . 73.099999999999994 110.251 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.575 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -55.91 -49.92 72.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.078 -0.51 . . . . 75.400000000000006 110.219 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -49.59 -60.89 2.46 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.76 -0.655 . . . . 73.140000000000001 111.374 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -47.82 -46.72 31.13 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.138 0.575 . . . . 65.430000000000007 111.799 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.58 -25.56 59.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.081 -0.509 . . . . 70.5 112.351 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 58.9 mtp180 -68.67 -37.98 80.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.019 -0.426 . . . . 64.230000000000004 110.805 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.509 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 mp0 -59.64 -45.68 91.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.93 -0.396 . . . . 74.140000000000001 109.93 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.24 -40.08 67.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.002 0.429 . . . . 64.120000000000005 111.21 173.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.8 -31.67 71.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.04 -0.527 . . . . 74.430000000000007 111.409 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.38 -12.63 48.72 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.418 0.525 . . . . 54.020000000000003 112.418 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 33.4 mmtp -56.39 92.42 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.009 0.433 . . . . 71.0 111.287 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.46 14.98 81.87 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 121.08 -0.581 . . . . 73.439999999999998 113.452 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.18 -52.85 63.93 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.284 0.564 . . . . 72.319999999999993 110.486 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -110.73 156.27 21.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 73.349999999999994 109.803 170.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 t 64.05 27.66 14.21 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.008 0.432 . . . . 72.340000000000003 110.57 -173.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.8 p -49.46 116.87 1.91 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.862 -0.608 . . . . 37.700000000000003 111.304 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.721 ' HE1' ' HA ' ' A' ' 45' ' ' MET . 3.6 tpt -70.11 104.97 2.74 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.491 0.552 . . . . 73.340000000000003 112.491 -171.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -126.82 -178.33 4.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.073 -0.512 . . . . 74.510000000000005 110.036 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.17 115.61 13.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.881 0.372 . . . . 73.120000000000005 111.298 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.677 -0.678 . . . . 74.140000000000001 110.451 -179.665 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 120.772 0.32 . . . . 74.200000000000003 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.437 HG22 ' HA ' ' A' ' 37' ' ' TYR . 14.3 tt -70.47 140.46 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-O 120.924 0.392 . . . . 71.400000000000006 111.221 174.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -111.43 168.2 9.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.994 0.426 . . . . 64.319999999999993 111.461 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.88 -25.75 44.04 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.739 0.644 . . . . 72.120000000000005 112.739 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.43 85.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.049 0.452 . . . . 53.420000000000002 111.723 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' HB2' HG13 ' A' ' 2' ' ' ILE . 64.0 mttp -71.91 -40.36 68.88 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.432 -0.349 . . . . 52.539999999999999 111.386 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.5 mt -54.88 -46.65 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 121.063 0.459 . . . . 62.229999999999997 111.097 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.26 90.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.857 0.361 . . . . 60.25 111.302 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.84 -31.83 71.93 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.617 0.229 . . . . 73.129999999999995 111.617 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.43 -49.7 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 120.839 0.352 . . . . 74.099999999999994 110.383 173.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -61.32 -39.08 89.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.232 -0.44 . . . . 72.349999999999994 111.329 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -54.57 -54.31 42.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.519 0.676 . . . . 71.230000000000004 110.899 173.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD21 ' HD2' ' A' ' 16' ' ' LYS . 84.0 mt -72.27 -22.15 61.26 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.735 -0.666 . . . . 73.219999999999999 111.69 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.08 -43.77 67.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.918 0.39 . . . . 62.43 110.93 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.9 77.28 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.213 0.53 . . . . 72.209999999999994 110.33 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 52.5 mttm -55.51 -45.2 77.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.753 -0.658 . . . . 75.230000000000004 111.802 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.2 94.09 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.36 -0.382 . . . . 64.319999999999993 111.985 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -72.77 -40.04 66.28 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.768 0.318 . . . . 74.430000000000007 111.748 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.27 61.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.003 0.43 . . . . 61.340000000000003 111.752 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.3 86.43 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.294 -0.479 . . . . 64.319999999999993 113.448 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.11 20.95 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 120.963 0.411 . . . . 55.549999999999997 111.75 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 18.0 tt -104.3 133.48 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.078 0.466 . . . . 75.420000000000002 111.518 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p -93.02 165.24 12.95 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.985 0.421 . . . . 74.310000000000002 111.825 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.67 -30.42 67.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.318 -0.401 . . . . 70.219999999999999 111.826 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.17 -50.32 48.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.352 . . . . 64.540000000000006 111.14 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.7 -38.31 78.01 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.321 0.582 . . . . 70.010000000000005 110.599 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.467 ' HG3' HG12 ' A' ' 22' ' ' ILE . 58.3 mtpt -64.27 -35.59 81.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.976 -0.556 . . . . 71.549999999999997 111.087 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.3 93.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.368 -0.378 . . . . 73.219999999999999 111.094 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.0 tt0 -67.32 -37.77 83.85 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.629 -0.259 . . . . 74.510000000000005 110.408 175.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.69 -41.07 69.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.307 0.575 . . . . 75.109999999999999 110.453 172.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.504 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 61.8 tt0 -63.77 -47.99 78.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.101 -0.5 . . . . 71.209999999999994 110.686 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.69 -46.86 70.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.934 -0.575 . . . . 74.010000000000005 111.438 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 65.5 mt -63.17 -43.07 99.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.991 -0.55 . . . . 72.430000000000007 111.151 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HE ' ' HA ' ' A' ' 31' ' ' GLN . 91.0 mtm180 -64.49 -29.9 70.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.187 -0.46 . . . . 74.450000000000003 111.759 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.509 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 87.9 mm-40 -61.35 -54.1 48.14 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.227 173.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -53.66 -39.2 64.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.496 0.665 . . . . 70.040000000000006 110.897 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HA ' HG22 ' A' ' 2' ' ' ILE . 83.4 t80 -65.89 -35.23 80.07 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.309 -0.859 . . . . 73.430000000000007 111.857 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.97 -3.13 56.28 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.909 0.707 . . . . 74.219999999999999 112.909 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 2.7 mmmp? -60.14 91.22 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.043 0.449 . . . . 72.219999999999999 111.198 176.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.67 ' HA3' ' HE1' ' A' ' 45' ' ' MET . . . 71.8 20.82 78.92 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 121.041 -0.6 . . . . 61.25 113.728 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 79.3 t80 -72.12 -56.93 4.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.012 0.434 . . . . 75.329999999999998 111.74 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.77 -66.9 0.61 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.349 -0.387 . . . . 75.530000000000001 111.06 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 p -84.0 93.18 8.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.421 0.629 . . . . 71.319999999999993 110.71 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 p -74.33 152.96 39.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.82 -0.627 . . . . 73.510000000000005 112.292 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.67 ' HE1' ' HA3' ' A' ' 40' ' ' GLY . 1.3 mpt? -73.26 -36.35 66.36 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.005 -0.543 . . . . 65.129999999999995 111.597 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? 60.67 91.89 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.114 -0.494 . . . . 72.030000000000001 110.809 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 tt -173.7 107.42 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.053 -0.521 . . . . 73.120000000000005 109.964 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 119.074 -0.489 . . . . 72.200000000000003 111.742 179.581 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.695 0.283 . . . . 75.5 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 3' ' ' SER . 10.6 tp -83.98 154.97 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.644 0.735 . . . . 75.299999999999997 112.558 -174.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' N ' HG13 ' A' ' 2' ' ' ILE . 98.3 p -145.12 155.94 43.6 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.53 -0.759 . . . . 71.040000000000006 109.394 175.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.5 -34.9 65.03 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.892 0.377 . . . . 74.109999999999999 111.67 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.06 97.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.877 0.37 . . . . 75.420000000000002 110.856 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.89 -37.76 88.72 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.405 -0.361 . . . . 71.540000000000006 111.348 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.15 -46.55 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 120.939 0.4 . . . . 73.010000000000005 111.27 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.89 -46.08 82.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.06 0.457 . . . . 52.310000000000002 110.783 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -59.04 -42.24 89.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.957 -0.565 . . . . 73.409999999999997 111.534 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.89 -45.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.695 0.283 . . . . 71.25 111.293 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -68.08 -32.93 73.61 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 111.821 0.304 . . . . 72.239999999999995 111.821 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.24 -50.54 71.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.089 0.471 . . . . 75.450000000000003 110.785 175.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.77 -40.79 88.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.029 -0.532 . . . . 72.540000000000006 111.008 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.18 84.01 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.314 -0.403 . . . . 61.299999999999997 111.128 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.38 74.46 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.216 0.532 . . . . 54.109999999999999 111.073 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.0 -36.7 80.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.246 -0.434 . . . . 74.519999999999996 111.068 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.49 -33.97 62.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.303 -0.408 . . . . 73.109999999999999 111.556 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -68.36 -38.56 81.53 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.859 0.362 . . . . 74.319999999999993 110.783 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -47.79 48.71 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.981 0.419 . . . . 74.310000000000002 110.984 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.12 34.52 2.94 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.197 -0.456 . . . . 61.530000000000001 113.131 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.94 -7.97 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 122.359 -0.494 . . . . 74.219999999999999 112.173 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.54 140.01 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 112.629 0.603 . . . . 73.150000000000006 112.629 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.8 p -95.2 163.67 13.18 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.357 -0.383 . . . . 44.509999999999998 111.854 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.25 -34.78 74.17 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.139 0.422 . . . . 72.420000000000002 112.139 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.2 -50.12 74.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.101 0.477 . . . . 73.120000000000005 110.776 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.93 -35.85 81.47 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.091 -0.504 . . . . 53.409999999999997 111.074 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.17 -30.28 68.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.632 -0.258 . . . . 73.209999999999994 111.663 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.39 70.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.301 0.572 . . . . 73.430000000000007 110.419 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.05 -50.4 73.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.576 -0.738 . . . . 74.109999999999999 110.669 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.469 HE21 ' NH1' ' A' ' 34' ' ' ARG . 46.1 tt0 -53.57 -44.34 69.24 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.973 -0.558 . . . . 63.32 111.506 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.544 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 30.1 tt0 -58.34 -52.41 65.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.363 -0.381 . . . . 43.340000000000003 110.87 177.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.99 -47.07 84.11 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.128 -0.487 . . . . 71.120000000000005 111.831 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 99.2 mt -65.03 -37.26 87.01 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.5 -0.318 . . . . 74.019999999999996 111.659 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.469 ' NH1' HE21 ' A' ' 30' ' ' GLN . 87.6 mtt180 -65.89 -35.57 81.01 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 121.258 -0.177 . . . . 73.420000000000002 111.271 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 81.1 mm-40 -61.25 -44.24 97.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.976 0.417 . . . . 71.420000000000002 110.18 174.068 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.4 mm-40 -51.23 -42.79 61.22 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.414 0.626 . . . . 74.129999999999995 110.76 172.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -69.82 -36.77 75.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.289 -0.869 . . . . 74.450000000000003 111.339 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 96.6 mt -77.94 -9.17 58.96 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 112.255 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 32.2 mmmt -57.97 99.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.006 0.432 . . . . 75.219999999999999 110.942 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.14 19.87 40.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.422 -0.418 . . . . 65.400000000000006 113.104 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -72.92 115.38 12.16 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 122.597 -0.355 . . . . 73.120000000000005 111.478 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 57.68 28.49 15.87 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.888 0.699 . . . . 72.439999999999998 112.888 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p 70.4 -48.53 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.206 1.002 . . . . 54.539999999999999 113.417 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -69.29 97.95 1.0 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.118 0.414 . . . . 72.209999999999994 112.118 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.88 -33.55 17.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.282 -0.417 . . . . 63.210000000000001 110.924 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 61.58 22.74 13.16 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.983 0.513 . . . . 71.530000000000001 112.052 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.09 147.91 23.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.362 -0.381 . . . . 72.299999999999997 110.867 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.474 -0.774 . . . . 73.129999999999995 111.603 177.437 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 112.044 0.387 . . . . 71.120000000000005 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -98.08 124.16 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.116 0.484 . . . . 72.120000000000005 111.005 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -80.15 147.87 31.16 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.828 0.347 . . . . 74.400000000000006 111.651 177.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.66 -20.2 45.91 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.85 0.357 . . . . 73.239999999999995 110.947 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.6 99.74 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 110.945 172.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' O ' HG13 ' A' ' 10' ' ' ILE . 67.8 mttm -66.78 -36.8 83.24 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.896 0.379 . . . . 71.030000000000001 110.683 176.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.19 -43.32 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.063 0.459 . . . . 71.239999999999995 110.402 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.57 86.39 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.076 -0.511 . . . . 64.049999999999997 110.776 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.457 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.8 tpt180 -61.95 -41.16 97.66 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.179 -0.464 . . . . 75.209999999999994 110.954 175.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.2 mt -55.94 -44.95 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.761 0.315 . . . . 75.310000000000002 110.843 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -66.69 -40.0 88.33 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.99 0.424 . . . . 63.100000000000001 111.152 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.1 -48.62 75.82 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.488 0.661 . . . . 71.340000000000003 110.661 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 26' ' ' GLU . 72.4 mt -72.16 -29.82 64.4 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.65 -0.704 . . . . 74.519999999999996 111.308 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.9 99.64 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 70.420000000000002 110.458 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.24 74.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.048 0.452 . . . . 64.310000000000002 110.848 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -57.68 -35.1 70.13 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.199 -0.455 . . . . 74.140000000000001 111.587 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.9 79.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.954 0.407 . . . . 65.400000000000006 111.365 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -65.93 -41.85 90.82 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.457 -0.338 . . . . 71.349999999999994 111.009 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.32 -29.07 59.9 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.939 0.4 . . . . 43.109999999999999 111.759 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.42 63.62 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.598 -0.274 . . . . 52.210000000000001 113.405 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.93 15.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 112.248 0.462 . . . . 73.129999999999995 112.248 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.74 128.4 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-O 121.205 0.526 . . . . 73.120000000000005 111.755 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.508 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.9 p -87.15 168.06 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.906 0.384 . . . . 73.25 111.693 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.93 -42.98 95.16 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.339 -0.391 . . . . 73.140000000000001 111.528 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.83 -42.98 98.81 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.117 0.484 . . . . 75.349999999999994 110.95 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.522 ' HB3' HD21 ' A' ' 13' ' ' LEU . 14.3 mm-40 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.109 -0.496 . . . . 64.329999999999998 111.122 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 23' ' ' THR . 54.3 mtpt -62.89 -44.14 96.89 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.884 0.373 . . . . 71.25 111.573 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.56 83.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.993 0.425 . . . . 71.040000000000006 111.333 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.468 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 tt0 -67.02 -42.89 84.16 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.33 -0.395 . . . . 72.439999999999998 111.011 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.5 tt0 -51.89 -49.88 62.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.972 0.415 . . . . 55.539999999999999 111.067 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.461 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.1 tt0 -58.67 -48.7 80.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.125 -0.489 . . . . 75.129999999999995 111.308 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.51 -36.48 83.9 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 120.801 0.334 . . . . 70.340000000000003 111.536 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 85.2 mt -65.09 -39.56 93.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.014 0.435 . . . . 74.420000000000002 110.797 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.478 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 70.9 mtp85 -62.92 -36.29 82.91 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.015 0.436 . . . . 74.519999999999996 110.633 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 17.4 mm100 -63.91 -38.87 92.66 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.355 -0.384 . . . . 75.109999999999999 111.144 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HA ' ' HZ2' ' A' ' 39' ' ' LYS . 50.2 mm-40 -62.56 -45.28 93.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.904 0.383 . . . . 44.5 111.27 173.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -65.5 -44.14 87.98 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.129 -0.487 . . . . 74.450000000000003 111.714 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.88 -44.01 14.73 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.966 0.728 . . . . 61.539999999999999 112.966 -176.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.417 ' HZ2' ' HA ' ' A' ' 36' ' ' GLU . 36.4 mmtm 60.69 32.71 20.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.965 0.412 . . . . 72.420000000000002 111.84 -175.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -1.41 55.53 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.269 -0.491 . . . . 41.310000000000002 112.988 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -71.1 95.44 1.23 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.108 0.48 . . . . 63.119999999999997 111.278 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -88.85 99.61 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.014 0.435 . . . . 52.310000000000002 110.884 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.0 t -80.78 3.5 22.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.004 -0.544 . . . . 74.230000000000004 111.698 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -70.93 176.16 4.54 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.376 0.608 . . . . 73.109999999999999 111.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.2 ttm -145.8 151.49 38.02 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.92 -0.582 . . . . 72.349999999999994 110.892 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.491 ' HA ' ' HE2' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -70.26 82.15 0.54 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.458 0.647 . . . . 64.439999999999998 111.006 176.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.82 171.24 7.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.674 -0.694 . . . . 71.0 111.013 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--O 1.254 1.337 0 CA-C-O 119.309 -0.377 . . . . 70.310000000000002 111.31 -177.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.907 0.385 . . . . 73.120000000000005 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 19.1 tt -90.02 131.92 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.14 0.495 . . . . 75.040000000000006 111.563 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -118.61 178.1 4.59 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.336 -0.393 . . . . 53.039999999999999 111.384 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.69 -38.69 67.32 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.698 0.629 . . . . 61.009999999999998 112.698 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.24 76.97 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.033 0.444 . . . . 64.349999999999994 111.463 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.547 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 95.7 mttt -79.14 -43.26 24.37 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.36 -0.382 . . . . 65.200000000000003 111.235 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.94 -47.01 92.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 120.741 0.305 . . . . 71.349999999999994 111.308 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.4 77.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.12 0.486 . . . . 74.099999999999994 110.947 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -53.48 -42.54 67.37 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.796 -0.638 . . . . 74.150000000000006 111.091 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.5 mt -59.65 -44.26 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 111.489 0.181 . . . . 64.120000000000005 111.489 176.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -58.47 -43.56 88.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.947 0.403 . . . . 74.319999999999993 111.077 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 14.9 tp10 -59.0 -54.33 48.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.921 -0.581 . . . . 72.530000000000001 111.077 175.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.75 -35.76 77.22 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.012 -0.54 . . . . 72.319999999999993 111.646 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -50.99 71.38 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.317 -0.402 . . . . 72.049999999999997 110.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.57 73.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.042 0.449 . . . . 75.209999999999994 110.943 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 68.1 mttm -61.11 -39.18 89.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.992 -0.549 . . . . 63.340000000000003 111.422 175.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.06 96.09 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.505 -0.316 . . . . 64.530000000000001 111.748 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -19.13 58.58 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.782 0.325 . . . . 75.5 111.489 176.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.18 -22.98 26.68 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.877 0.37 . . . . 63.020000000000003 111.64 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.55 -0.8 89.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.364 -0.446 . . . . 54.049999999999997 113.682 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -88.87 12.96 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 112.427 0.529 . . . . 65.530000000000001 112.427 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 tt -84.36 126.13 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 121.074 0.464 . . . . 64.099999999999994 111.976 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.9 p -81.41 173.24 12.62 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.894 0.378 . . . . 74.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 30.9 mt-10 -65.66 -38.2 88.67 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.216 -0.302 . . . . 65.230000000000004 111.324 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -63.96 -40.71 97.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.596 0.236 . . . . 71.310000000000002 110.983 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.27 -30.93 69.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.755 0.312 . . . . 71.25 111.034 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.505 ' HD2' ' HA ' ' A' ' 24' ' ' GLU . 59.5 mttm -63.26 -48.43 78.24 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.154 0.502 . . . . 73.329999999999998 110.567 171.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.24 86.46 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.009 -0.541 . . . . 55.439999999999998 110.961 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -59.27 -48.91 79.84 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.323 0.583 . . . . 73.109999999999999 110.701 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -57.52 -52.09 66.8 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.74 -0.664 . . . . 74.319999999999993 111.074 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.476 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.2 tt0 -57.45 -44.54 84.85 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.941 0.4 . . . . 75.120000000000005 111.116 177.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -52.69 -56.2 17.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.374 0.607 . . . . 71.329999999999998 111.263 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.86 -26.45 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.675 -0.693 . . . . 73.420000000000002 111.891 -177.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 73.3 mtp85 -67.41 -35.38 79.15 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 122.12 -0.362 . . . . 74.209999999999994 110.338 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 86.6 mm-40 -63.56 -39.86 95.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.018 0.437 . . . . 73.129999999999995 110.396 172.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.579 ' HB3' ' HB ' ' A' ' 2' ' ' ILE . 12.5 mm-40 -59.2 -41.96 89.78 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.402 0.62 . . . . 55.109999999999999 110.38 172.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -67.08 -29.94 69.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.398 -0.819 . . . . 64.530000000000001 111.537 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 92.3 mt -80.79 -17.39 51.02 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.346 -0.388 . . . . 73.430000000000007 111.588 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 72.5 mmtt -62.98 106.42 0.82 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.246 0.546 . . . . 71.239999999999995 110.535 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.38 -32.5 7.26 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 115.887 -0.597 . . . . 70.239999999999995 111.844 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . 89.3 t80 -82.98 129.19 35.0 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.289 0.566 . . . . 74.340000000000003 111.483 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 42' ' ' ARG . 3.0 mmp_? -72.78 102.96 3.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.235 -0.438 . . . . 63.200000000000003 110.297 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -63.98 153.2 37.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.35 0.595 . . . . 70.239999999999995 112.518 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 t -82.81 -6.79 59.59 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.171 -0.468 . . . . 73.030000000000001 111.773 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.0 ptp -148.02 120.67 8.6 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.031 0.443 . . . . 61.119999999999997 111.834 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.26 101.46 5.79 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.683 -0.488 . . . . 72.230000000000004 109.683 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.64 177.24 10.68 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.332 . . . . 74.019999999999996 111.636 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.664 -0.684 . . . . 73.430000000000007 111.239 179.631 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.052 0.389 . . . . 50.23 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.57 79.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.039 0.447 . . . . 75.31 111.431 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -74.91 -31.25 61.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.358 -0.383 . . . . 73.14 111.924 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.28 -45.3 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.115 0.483 . . . . 74.55 110.421 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.6 93.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.054 -0.521 . . . . 73.04 110.927 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.633 ' NH1' HD21 ' A' ' 13' ' ' LEU . 22.6 tpt180 -56.31 -43.67 79.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.043 -0.526 . . . . 64.42 111.156 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.97 -51.78 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 122.303 -0.248 . . . . 74.32 111.455 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.89 -32.78 72.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.987 0.422 . . . . 71.35 111.404 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 23.4 tt0 -61.59 -54.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.309 0.576 . . . . 55.22 110.793 173.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.633 HD21 ' NH1' ' A' ' 9' ' ' ARG . 65.1 mt -63.53 -44.82 93.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.568 -0.742 . . . . 73.53 111.483 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.83 73.27 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.288 -0.414 . . . . 74.11 110.863 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.85 93.96 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.109 0.481 . . . . 63.51 111.053 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 98.6 mttt -61.47 -38.71 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.305 -0.407 . . . . 73.32 111.204 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.47 64.95 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.062 0.458 . . . . 52.25 111.488 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -61.7 -31.84 72.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.096 -0.502 . . . . 75.15 110.998 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.71 26.9 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.383 -0.371 . . . . 64.01 111.721 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.91 -5.23 27.38 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 116.243 -0.435 . . . . 54.4 113.364 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.08 13.43 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.612 0.597 . . . . 72.33 112.612 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.2 tt -84.14 128.43 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 120.992 0.425 . . . . 74.21 111.908 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -84.43 165.67 17.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.125 0.488 . . . . 60.1 111.797 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 26.1 mm-40 -56.7 -39.18 73.4 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.952 -0.567 . . . . 75.53 111.989 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.28 -47.4 79.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.41 -0.359 . . . . 72.33 111.391 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 13' ' ' LEU . 9.7 mm-40 -59.33 -44.5 92.61 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.053 0.454 . . . . 72.0 110.643 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 22' ' ' ILE . 53.6 mtpt -56.95 -46.74 81.9 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.091 -0.504 . . . . 65.51 112.039 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.08 82.26 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.05 0.452 . . . . 74.11 111.684 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.88 -41.68 91.26 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.972 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 27.4 tt0 -52.17 -57.65 8.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.993 0.425 . . . . 63.31 111.274 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.87 -44.29 70.29 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.087 -0.506 . . . . 75.13 111.674 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -64.24 -51.58 62.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.603 0.24 . . . . 62.04 111.352 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.907 0.336 . . . . 63.33 111.907 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 81.4 mtp180 -59.96 -38.82 83.59 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.788 0.327 . . . . 74.24 110.676 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.77 -42.59 85.84 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.973 0.416 . . . . 75.05 110.99 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -56.39 -31.22 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.28 0.562 . . . . 54.44 110.475 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.8 t80 . . . . . 0 CA--C 1.539 0.536 0 CA-C-N 115.798 -0.637 . . . . 73.43 111.055 176.194 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.04 0.385 . . . . 74.43 112.04 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.49 80.07 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.083 0.468 . . . . 71.23 111.589 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HB3' HD22 ' A' ' 33' ' ' LEU . 95.5 mttt -67.07 -41.26 86.69 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.922 0.391 . . . . 74.13 110.657 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -57.43 -42.9 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.123 0.487 . . . . 74.21 110.837 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.46 76.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.02 0.438 . . . . 64.52 111.179 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -63.72 -38.7 92.09 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.994 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.19 -41.68 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 61.43 111.295 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -59.5 -37.05 77.26 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.078 0.466 . . . . 52.42 111.018 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.51 -57.6 7.82 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.123 0.487 . . . . 75.32 111.27 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 26' ' ' GLU . 83.1 mt -60.19 -40.11 88.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.926 -0.579 . . . . 73.13 111.986 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.99 97.03 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.94 0.4 . . . . 75.42 111.042 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.0 77.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.949 0.404 . . . . 73.44 110.958 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 97.2 mttt -56.89 -44.78 82.66 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.12 -0.491 . . . . 60.51 111.361 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.8 86.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.118 0.485 . . . . 63.15 111.58 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -62.81 -34.06 76.52 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.055 -0.52 . . . . 62.15 111.137 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.47 33.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.838 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.11 7.85 63.66 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.252 -0.499 . . . . 72.51 113.056 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.6 27.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.96 0.41 . . . . 63.43 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 17.1 tt -106.91 141.41 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 120.765 0.317 . . . . 73.52 111.444 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.7 p -88.1 158.77 18.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.429 0.633 . . . . 61.51 111.956 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 17.1 mm-40 -53.81 -37.29 63.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.659 -0.701 . . . . 61.45 111.957 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.5 -40.97 85.18 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.675 -0.238 . . . . 74.24 111.522 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HB3' HD22 ' A' ' 13' ' ' LEU . 28.7 mt-10 -71.34 -34.01 70.12 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 122.156 -0.34 . . . . 73.52 111.154 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 59.0 mtpt -60.07 -43.3 95.54 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.066 0.46 . . . . 74.34 110.927 174.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.16 96.86 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.026 0.441 . . . . 72.44 110.912 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -62.15 -39.83 93.94 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.345 -0.389 . . . . 74.1 110.927 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 50.2 tt0 -59.06 -48.22 82.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.996 0.426 . . . . 75.01 110.701 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -55.76 -46.79 77.79 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.92 -0.582 . . . . 71.35 110.966 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -54.91 -52.49 62.75 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.762 -0.654 . . . . 61.43 111.623 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 6' ' ' LYS . 97.0 mt -63.84 -40.69 97.2 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.067 -0.515 . . . . 73.1 111.98 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 74.5 mtp180 -63.0 -38.86 92.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.611 0.243 . . . . 74.34 111.395 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.07 -53.19 60.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.725 0.297 . . . . 73.13 110.846 172.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -33.2 59.76 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.342 0.591 . . . . 74.0 110.707 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 67.5 t80 . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 115.671 -0.695 . . . . 74.25 111.077 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 120.693 0.282 . . . . 70.24 111.723 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.03 91.38 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.119 0.485 . . . . 42.43 111.431 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -70.54 -36.97 73.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.435 -0.348 . . . . 70.43 110.896 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.95 -46.25 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.876 0.37 . . . . 63.45 111.033 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.0 81.55 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.161 0.505 . . . . 74.25 111.21 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.45 -44.72 96.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.989 -0.551 . . . . 74.34 111.034 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.9 -45.18 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.891 0.377 . . . . 64.52 110.814 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.32 -31.59 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.312 -0.404 . . . . 73.12 111.485 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -74.9 -50.63 16.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.94 0.4 . . . . 75.32 111.126 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 26' ' ' GLU . 92.6 mt -60.96 -35.54 77.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.85 0.357 . . . . 55.45 111.2 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.86 85.46 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.944 0.402 . . . . 64.24 110.904 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.81 93.12 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.093 0.473 . . . . 62.21 110.943 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.74 -39.13 87.53 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.015 -0.539 . . . . 70.22 111.164 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.94 95.73 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.32 -0.4 . . . . 74.14 111.232 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.19 -38.53 91.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.088 0.47 . . . . 65.44 110.943 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.91 -9.59 59.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.296 -0.411 . . . . 72.25 111.676 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.89 5.31 64.54 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.469 -0.396 . . . . 41.32 113.909 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.14 -0.25 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 112.325 0.491 . . . . 64.02 112.325 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -75.27 131.52 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 120.745 0.307 . . . . 74.15 111.451 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 72.7 p -83.67 163.5 20.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.297 0.57 . . . . 64.14 112.174 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.39 -41.79 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.722 -0.672 . . . . 62.31 111.763 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.81 -44.94 84.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.831 0.348 . . . . 71.44 111.161 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.3 mt-10 -63.54 -33.47 75.66 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.772 0.32 . . . . 74.33 111.356 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' THR . 98.2 mttt -60.92 -49.78 76.06 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.946 0.403 . . . . 62.3 110.806 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.62 84.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.058 -0.519 . . . . 45.24 110.92 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.09 -46.51 88.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.179 -0.464 . . . . 74.5 111.377 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 62.1 tt0 -57.61 -44.44 85.5 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.768 0.318 . . . . 62.05 111.222 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -57.98 -47.71 82.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.891 0.376 . . . . 74.44 111.071 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.89 -49.12 76.5 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.861 -0.608 . . . . 73.33 111.59 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.86 -33.32 75.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.314 -0.403 . . . . 63.43 111.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 18.2 mtp180 -65.4 -30.61 71.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.706 0.289 . . . . 71.0 111.233 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -69.04 -39.21 79.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.829 0.347 . . . . 71.12 110.35 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -57.75 -39.54 77.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.283 0.563 . . . . 72.21 110.252 172.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 115.588 -0.733 . . . . 74.35 111.054 176.406 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.891 0.377 . . . . 72.14 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.42 99.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.047 0.451 . . . . 43.52 110.905 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.2 mttt -68.31 -41.77 80.37 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.037 -0.529 . . . . 74.11 110.87 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.63 -47.07 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.008 0.432 . . . . 64.25 110.941 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.94 90.2 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.881 0.372 . . . . 43.33 110.982 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.5 tpt180 -60.62 -42.64 97.28 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.249 -0.432 . . . . 70.25 110.849 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.3 mt -57.08 -47.78 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.525 -0.307 . . . . 72.44 110.964 174.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -57.79 -43.37 85.57 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.487 -0.324 . . . . 71.01 111.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.38 -53.8 51.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.046 0.451 . . . . 75.21 111.404 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.0 mt -62.34 -39.59 93.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.13 -0.486 . . . . 44.33 111.376 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.32 77.58 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.994 0.426 . . . . 64.24 111.03 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.34 70.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.227 0.537 . . . . 71.13 110.287 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.22 -37.22 71.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.606 -0.725 . . . . 75.52 111.197 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.25 72.98 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.098 -0.501 . . . . 73.21 111.268 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -58.91 -42.72 90.3 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.362 -0.381 . . . . 73.11 111.195 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.73 60.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.268 0.47 . . . . 30.11 112.268 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.86 24.52 64.34 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.257 -0.497 . . . . 72.23 113.533 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.26 8.84 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.367 -0.49 . . . . 61.14 112.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.36 129.66 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 120.916 0.389 . . . . 74.42 111.531 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 50.1 p -89.65 171.98 9.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.288 0.477 . . . . 73.31 112.288 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.53 -59.84 3.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.369 0.507 . . . . 63.42 112.369 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -51.83 -40.87 61.22 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.003 -0.544 . . . . 74.04 111.781 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HB3' HD22 ' A' ' 13' ' ' LEU . 41.9 mt-10 -70.53 -39.34 74.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 62.14 111.629 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 23' ' ' THR . 57.8 mtpt -61.13 -41.52 96.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.106 0.479 . . . . 65.14 110.877 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.84 86.56 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.935 -0.575 . . . . 74.42 111.149 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.5 tp10 -58.99 -43.81 91.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.052 -0.522 . . . . 64.34 110.662 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.8 -45.85 91.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.348 -0.387 . . . . 73.04 111.464 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -58.83 -50.66 73.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.287 0.565 . . . . 72.3 110.682 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -50.05 -49.81 49.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.45 -0.796 . . . . 74.2 111.953 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 89.6 mt -68.3 -34.02 75.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.385 -0.371 . . . . 63.01 111.748 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 34' ' ' ARG . 24.3 mtp180 -63.93 -35.87 82.08 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.695 0.283 . . . . 74.11 110.279 174.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.2 mm-40 -62.95 -45.44 92.46 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.939 -0.393 . . . . 72.21 109.939 172.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -54.13 -42.78 69.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.048 -0.524 . . . . 60.11 110.99 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 CA--C 1.54 0.572 0 CA-C-N 115.563 -0.744 . . . . 72.13 111.41 -179.008 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 53.14 111.609 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.65 98.77 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.936 0.398 . . . . 71.24 111.338 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.71 -42.27 82.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.43 -0.35 . . . . 54.53 111.327 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.4 mt -58.68 -47.7 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.897 0.379 . . . . 61.54 111.402 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.15 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.995 0.426 . . . . 65.24 111.187 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -63.18 -42.36 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.868 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.39 -46.58 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.773 0.32 . . . . 63.5 111.051 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.64 -42.83 84.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.397 -0.365 . . . . 75.31 111.832 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -59.05 -57.74 11.73 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.496 0.665 . . . . 74.3 110.791 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 26' ' ' GLU . 65.4 mt -64.02 -27.26 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.582 -0.736 . . . . 63.13 111.762 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.6 71.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.056 0.455 . . . . 51.41 110.958 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.62 95.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.062 -0.517 . . . . 54.21 110.777 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 95.6 mttt -61.34 -40.59 94.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.03 -0.532 . . . . 72.42 111.848 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.97 88.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.851 0.358 . . . . 52.0 111.576 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -67.0 -36.47 82.23 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.908 0.385 . . . . 75.01 111.34 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.02 -22.82 55.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.91 0.385 . . . . 74.13 111.732 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.72 15.68 70.03 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.388 -0.434 . . . . 60.01 113.517 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.45 15.16 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 122.398 -0.472 . . . . 74.02 112.196 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 16.0 tt -92.61 134.75 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.518 -0.31 . . . . 74.32 111.684 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -82.15 162.47 22.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.192 0.52 . . . . 63.34 112.124 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 16.2 mm-40 -57.74 -41.23 81.43 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.891 -0.595 . . . . 71.52 111.667 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.62 -50.22 74.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.783 0.325 . . . . 71.2 111.386 174.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.7 mt-10 -61.63 -33.36 73.8 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.688 0.28 . . . . 65.3 111.525 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.8 mtpt -64.59 -45.01 88.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.082 0.468 . . . . 64.52 111.136 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.38 97.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.055 0.455 . . . . 74.14 110.956 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.76 -44.14 97.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.787 -0.642 . . . . 75.25 110.614 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -57.71 -43.44 85.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.136 -0.483 . . . . 62.41 111.284 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.525 ' HG2' ' OE1' ' A' ' 35' ' ' GLN . 53.6 tt0 -63.06 -51.17 67.75 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.892 0.377 . . . . 72.31 110.41 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -47.59 -52.38 17.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.027 -0.533 . . . . 63.34 111.212 176.096 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 80.4 mt -63.53 -34.72 78.42 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.165 -0.47 . . . . 42.53 112.044 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.34 -34.5 76.2 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.266 -0.271 . . . . 75.01 111.676 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' OE1' ' HG2' ' A' ' 31' ' ' GLN . 1.5 mp0 -65.93 -40.85 91.76 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.995 -0.44 . . . . 72.11 110.253 169.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 9.0 mm-40 -54.4 -43.5 71.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.141 0.496 . . . . 72.1 110.432 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 CA--C 1.538 0.488 0 CA-C-N 115.577 -0.738 . . . . 75.32 111.35 178.517 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 120.881 0.372 . . . . 75.34 111.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.41 87.32 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.215 -0.448 . . . . 70.4 111.391 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 10' ' ' ILE . 99.9 mttt -64.12 -45.94 86.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.363 -0.381 . . . . 74.52 110.935 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.6 -47.0 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.036 0.446 . . . . 51.14 111.071 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.93 96.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.149 0.499 . . . . 61.02 111.24 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 32.8 tpt180 -61.04 -37.08 81.36 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.035 -0.53 . . . . 71.04 111.03 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 6' ' ' LYS . 86.0 mt -58.63 -51.24 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 120.881 0.372 . . . . 73.04 111.029 175.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -58.43 -39.47 79.87 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.015 0.436 . . . . 71.34 111.63 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.01 -47.69 79.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.112 0.482 . . . . 73.3 111.068 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.4 mt -71.01 -28.66 64.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.202 -0.453 . . . . 75.24 111.878 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.01 99.85 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 72.45 110.492 174.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.32 70.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.057 -0.52 . . . . 63.23 111.094 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -56.01 -37.38 69.09 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.018 0.437 . . . . 72.02 111.199 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -54.47 35.53 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.242 -0.435 . . . . 74.34 111.692 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -67.51 -20.88 65.49 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.862 0.363 . . . . 64.31 111.894 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.25 -17.19 35.36 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.909 0.385 . . . . 74.32 111.361 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.25 17.35 79.57 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.486 -0.387 . . . . 45.01 113.577 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -106.76 7.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 O-C-N 122.513 -0.404 . . . . 54.11 112.013 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -82.33 133.46 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 120.997 0.427 . . . . 75.12 111.826 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.1 p -76.03 155.15 35.16 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.548 -0.296 . . . . 73.4 110.808 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 4.4 mt-10 -66.14 -22.63 66.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.007 0.432 . . . . 71.42 111.434 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.81 -45.37 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.164 0.507 . . . . 73.14 110.209 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 13' ' ' LEU . 47.9 mt-10 -70.69 -28.39 64.72 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.073 -0.512 . . . . 72.31 111.158 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 56.0 mtpt -65.37 -38.07 88.92 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.009 0.433 . . . . 65.31 110.616 172.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.16 72.98 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.039 -0.528 . . . . 65.13 110.952 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.01 -53.61 55.06 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.899 -0.591 . . . . 70.32 111.535 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.8 tt0 -55.77 -39.3 71.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.581 0.229 . . . . 61.55 111.437 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.8 tt0 -57.61 -43.9 85.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.916 0.389 . . . . 63.31 111.088 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.24 -51.55 69.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.339 0.59 . . . . 63.34 111.028 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.08 -37.72 75.02 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.616 -0.72 . . . . 70.21 111.84 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 80.9 mtp180 -65.33 -36.03 82.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.713 -0.221 . . . . 73.23 111.286 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 83.1 mm-40 -63.83 -45.99 87.11 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.901 0.381 . . . . 73.13 110.387 173.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.39 -45.56 65.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.357 0.598 . . . . 64.52 110.737 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 115.175 -0.92 . . . . 70.23 112.006 179.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.647 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.785 0.326 . . . . 73.4 111.176 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.89 95.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.958 0.409 . . . . 50.55 111.203 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 10' ' ' ILE . 96.7 mttt -62.65 -45.58 92.19 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.399 -0.364 . . . . 75.05 110.86 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.28 -51.43 69.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.131 0.491 . . . . 72.4 111.19 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.74 76.42 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.185 -0.461 . . . . 72.15 111.636 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -70.29 -39.63 74.75 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.509 -0.314 . . . . 74.24 111.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.5 mt -62.22 -42.29 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.73 0.3 . . . . 73.32 111.113 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.25 -44.02 97.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.856 0.36 . . . . 73.32 110.943 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 11.7 tp10 -58.62 -53.16 61.45 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.989 -0.551 . . . . 64.1 111.476 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -67.19 -36.52 81.93 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.844 0.313 . . . . 74.23 111.844 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -33.14 75.07 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.162 0.506 . . . . 72.33 110.818 174.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.34 74.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.173 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 59.9 mttm -58.47 -35.4 72.12 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.034 174.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.41 75.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.876 0.37 . . . . 64.43 111.233 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -67.26 -22.8 65.66 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.895 0.379 . . . . 61.51 111.624 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.0 -10.88 34.7 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 64.11 111.701 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.55 -4.35 56.43 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.4 -0.364 . . . . 72.33 113.736 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.6 m -84.95 4.87 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 N-CA-C 112.822 0.675 . . . . 75.11 112.822 -174.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.22 122.99 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 120.822 0.344 . . . . 71.1 111.125 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 81.3 p -81.16 165.78 21.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.013 0.435 . . . . 70.23 111.808 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 14.2 mm-40 -53.98 -44.58 70.92 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.102 -0.499 . . . . 73.42 111.909 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.64 -46.29 90.84 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.43 -0.35 . . . . 64.13 111.779 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 13' ' ' LEU . 67.0 mm-40 -67.18 -31.52 71.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.753 0.311 . . . . 65.21 111.56 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 57.9 mtpt -63.04 -45.6 91.51 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.093 0.473 . . . . 72.43 110.684 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.54 94.99 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.979 -0.555 . . . . 43.32 111.04 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.11 -52.75 62.62 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.112 -0.495 . . . . 74.12 111.164 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.23 -49.06 67.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.362 -0.381 . . . . 53.21 111.785 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -56.91 -40.88 77.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.303 0.573 . . . . 75.45 110.915 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -65.51 -47.9 74.38 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.666 -0.697 . . . . 73.11 111.835 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.16 -35.63 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.962 0.411 . . . . 62.23 111.198 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -69.71 -28.56 65.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.52 -0.309 . . . . 72.23 111.507 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -61.57 -42.76 99.32 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.047 0.451 . . . . 43.42 109.882 170.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.89 -35.41 74.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.087 -0.506 . . . . 61.32 110.932 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 CA--C 1.544 0.714 0 CA-C-N 116.245 -0.434 . . . . 53.11 110.776 176.033 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 112.452 0.538 . . . . 44.11 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.41 93.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.084 0.401 . . . . 60.33 112.084 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.9 -44.3 93.37 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.598 -0.274 . . . . 75.15 111.284 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.8 -55.95 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.154 0.502 . . . . 72.35 111.184 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.62 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.992 -0.549 . . . . 65.13 111.471 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 14.4 tpt180 -66.41 -40.89 89.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.718 -0.219 . . . . 74.22 111.413 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.86 -45.22 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.037 0.446 . . . . 61.44 110.662 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -63.01 -39.54 95.08 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.293 -0.412 . . . . 75.1 111.242 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.52 -57.26 13.47 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.078 0.466 . . . . 62.11 111.021 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -64.86 -33.29 75.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.732 -0.667 . . . . 70.22 111.731 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.11 86.58 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.029 0.442 . . . . 55.03 110.751 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.13 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 54.04 111.107 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 94.0 mttt -58.82 -39.45 81.25 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.238 -0.437 . . . . 73.52 111.468 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.22 80.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.926 0.393 . . . . 64.43 111.118 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -62.1 -31.02 71.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.912 -0.585 . . . . 71.44 111.053 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.52 36.26 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.254 -0.43 . . . . 51.23 111.935 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.04 83.32 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 121.517 -0.373 . . . . 53.41 113.644 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.12 -4.25 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-O 120.958 0.409 . . . . 74.34 112.004 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.709 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 14.8 tt -79.85 145.54 9.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.003 0.43 . . . . 74.31 111.611 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -95.67 151.84 18.99 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.399 -0.364 . . . . 71.13 111.022 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.82 -26.53 64.23 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.944 0.35 . . . . 74.33 111.944 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.28 -46.66 87.93 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.313 0.578 . . . . 72.25 110.763 173.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.529 ' HB3' HD22 ' A' ' 13' ' ' LEU . 38.7 mt-10 -69.49 -33.61 73.11 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.829 -0.623 . . . . 75.13 111.008 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 55.5 mtpt -63.55 -45.68 89.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.739 0.304 . . . . 72.55 110.955 177.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.7 80.43 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.143 0.497 . . . . 44.34 110.888 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.2 tp10 -61.72 -48.62 79.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.137 -0.483 . . . . 72.54 110.644 174.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.5 tt0 -55.1 -38.95 68.8 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.155 -0.475 . . . . 64.45 111.157 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 76.7 mt-30 -55.78 -53.14 60.27 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.922 0.391 . . . . 73.31 110.452 175.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -52.11 -47.23 65.41 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.181 0.515 . . . . 74.14 111.049 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.1 mt -61.75 -40.51 95.39 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.755 -0.657 . . . . 73.53 111.628 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 77.6 mtp180 -62.44 -44.69 95.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.575 0.226 . . . . 64.25 111.085 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.68 -35.3 80.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.749 0.309 . . . . 75.21 111.333 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.84 -33.4 75.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.173 0.511 . . . . 71.23 110.619 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 CA--C 1.539 0.519 0 CA-C-N 115.464 -0.789 . . . . 75.31 111.154 177.426 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.49 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.677 0.275 . . . . 74.0 111.395 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.65 79.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.053 0.454 . . . . 72.12 110.828 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 10' ' ' ILE . 79.5 mttt -62.05 -45.19 94.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.269 -0.423 . . . . 74.04 110.856 174.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.6 -42.59 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.31 -0.405 . . . . 71.31 111.468 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.16 91.29 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.099 0.476 . . . . 64.22 110.854 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -58.54 -39.14 79.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.868 -0.606 . . . . 74.42 110.926 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.1 mt -61.25 -47.49 93.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.51 -0.314 . . . . 74.33 111.329 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.93 -43.82 98.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.149 0.499 . . . . 71.02 111.147 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -53.88 52.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.913 -0.585 . . . . 64.34 111.429 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 ' HD2' ' A' ' 16' ' ' LYS . 83.0 mt -65.93 -28.95 69.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.8 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.85 84.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.962 0.41 . . . . 64.5 111.02 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.81 85.85 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.051 -0.522 . . . . 72.42 111.188 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HD2' HD23 ' A' ' 13' ' ' LEU . 88.9 mttt -57.51 -39.98 77.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.855 0.36 . . . . 62.24 111.438 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.92 85.47 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.359 -0.382 . . . . 61.21 111.452 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -60.64 -42.35 96.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.215 0.531 . . . . 74.42 111.02 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.67 -21.04 59.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.071 -0.513 . . . . 72.31 111.798 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.72 77.22 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 121.48 -0.391 . . . . 60.42 113.668 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.74 11.33 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.133 0.492 . . . . 71.4 111.866 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 15.0 tt -87.92 132.06 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.382 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.6 p -77.76 159.98 28.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.043 0.449 . . . . 70.04 111.556 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -56.82 -42.16 79.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.099 -0.501 . . . . 70.05 111.219 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.28 -52.45 63.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.178 -0.465 . . . . 75.21 111.51 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HB3' HD22 ' A' ' 13' ' ' LEU . 46.8 mt-10 -61.3 -35.22 76.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.216 -0.447 . . . . 71.11 111.662 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -63.71 -55.85 20.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 122.29 -0.256 . . . . 74.43 110.999 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.57 69.48 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.095 0.474 . . . . 51.41 111.201 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.0 tt0 -63.47 -52.5 61.08 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.989 -0.551 . . . . 73.45 111.086 176.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.2 tt0 -56.52 -42.92 79.22 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.566 0.222 . . . . 73.11 111.005 176.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 55.8 mt-30 -57.0 -45.93 82.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.613 0.244 . . . . 65.43 110.668 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -59.39 -46.84 87.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.901 0.381 . . . . 72.1 111.358 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 70.6 mt -59.7 -38.98 83.09 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 74.03 111.088 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 83.2 mtp180 -63.35 -37.72 88.35 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.939 0.4 . . . . 74.11 110.462 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 84.2 mm-40 -63.0 -43.24 99.32 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.009 0.433 . . . . 64.25 110.796 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.74 -29.94 70.53 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.291 -0.413 . . . . 64.42 111.229 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.085 0.469 . . . . 54.43 110.722 171.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 p30 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 112.181 0.437 . . . . 74.5 112.181 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.05 79.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.089 0.471 . . . . 74.43 111.251 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' ' 10' ' ' ILE . 64.4 mttp -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.831 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.86 -47.8 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.073 0.463 . . . . 64.04 110.695 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.56 80.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.16 -0.473 . . . . 23.33 111.104 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -63.69 -42.31 98.01 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.102 -0.499 . . . . 71.52 110.914 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 6' ' ' LYS . 71.2 mt -58.97 -45.86 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.735 0.302 . . . . 65.31 111.035 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -59.39 -41.7 90.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.049 0.452 . . . . 52.23 111.315 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.543 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 13.1 tp10 -63.85 -52.08 61.71 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.06 -0.518 . . . . 72.34 111.536 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 26' ' ' GLU . 93.2 mt -64.22 -43.53 94.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.795 0.331 . . . . 72.43 111.393 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -58.85 -39.83 82.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.081 0.467 . . . . 62.54 110.707 176.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.82 98.04 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.016 0.436 . . . . 75.3 110.815 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 62.9 mttm -60.12 -35.89 76.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.854 0.359 . . . . 71.22 110.768 174.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -44.35 81.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.101 0.476 . . . . 74.24 111.127 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 28.0 mtpp -64.64 -26.89 68.58 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 65.11 111.083 176.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.32 -28.25 23.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.469 . . . . 61.4 111.537 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.71 7.56 61.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 116.422 -0.354 . . . . 62.41 113.422 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.12 -0.25 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 112.771 0.656 . . . . 62.22 112.771 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.453 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.0 tt -76.13 124.07 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.339 0.59 . . . . 75.21 112.286 -175.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.451 ' OG1' ' HG2' ' A' ' 26' ' ' GLU . 58.5 p -79.32 160.28 26.84 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.011 0.434 . . . . 74.1 111.88 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.7 -33.51 64.24 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.966 -0.561 . . . . 55.03 111.629 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -67.5 -48.71 66.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.294 -0.412 . . . . 72.13 110.991 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HB3' HD22 ' A' ' 13' ' ' LEU . 36.7 mm-40 -60.88 -37.8 83.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.912 0.387 . . . . 73.05 110.774 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 22' ' ' ILE . 57.2 mtpt -62.55 -40.33 96.48 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.276 -0.42 . . . . 54.42 111.461 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.74 77.02 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.917 0.389 . . . . 62.24 111.116 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 46.5 tp10 -61.3 -41.28 96.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.481 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 34' ' ' ARG . 29.2 tt0 -60.91 -38.55 86.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.361 . . . . 65.22 111.462 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 29.0 tt0 -61.59 -51.87 66.77 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.993 -0.373 . . . . 75.31 109.993 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.63 -56.79 8.76 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.522 -0.763 . . . . 70.0 111.969 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 79.4 mt -57.66 -38.97 76.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.307 -0.406 . . . . 44.42 111.414 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' ' 37' ' ' TYR . 85.7 mtm180 -70.42 -24.21 62.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.876 0.324 . . . . 64.14 111.876 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.8 mm-40 -63.1 -47.17 83.99 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.774 -0.454 . . . . 73.43 109.774 172.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -62.11 -41.57 98.35 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.831 -0.622 . . . . 71.43 111.117 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HB3' ' HA ' ' A' ' 34' ' ' ARG . 57.8 t80 . . . . . 0 CA--C 1.54 0.561 0 CA-C-N 115.848 -0.614 . . . . 75.14 111.619 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.501 0.556 . . . . 73.01 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -50.08 74.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.63 0.252 . . . . 63.13 111.565 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.518 ' O ' HG13 ' A' ' 10' ' ' ILE . 92.8 mttt -57.94 -42.96 85.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.509 0.195 . . . . 74.54 111.296 176.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.63 -47.49 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.842 0.353 . . . . 70.2 111.204 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.61 81.18 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.116 0.484 . . . . 72.32 111.037 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.63 -42.47 98.15 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.984 -0.553 . . . . 75.22 111.213 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 6' ' ' LYS . 73.2 mt -60.07 -48.97 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.702 0.287 . . . . 60.15 111.14 177.224 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -59.9 -40.37 88.56 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.827 0.346 . . . . 73.44 111.521 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.68 -52.22 65.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.139 0.495 . . . . 60.41 111.191 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 26' ' ' GLU . 95.0 mt -63.26 -32.22 73.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.327 -0.397 . . . . 72.32 111.477 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -63.94 -45.97 86.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.013 0.435 . . . . 71.54 110.778 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.7 98.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.211 -0.449 . . . . 64.51 111.053 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HD2' HD23 ' A' ' 13' ' ' LEU . 65.8 mttm -58.64 -37.94 77.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.889 0.376 . . . . 74.41 111.265 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.51 88.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.375 -0.375 . . . . 73.25 111.288 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 mtpm? -63.36 -42.17 98.87 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.17 0.51 . . . . 73.45 111.076 176.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.39 56.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.732 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.05 46.81 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.334 -0.46 . . . . 64.4 113.189 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.08 -0.2 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 112.464 0.542 . . . . 70.43 112.464 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 tt -82.75 133.34 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.015 0.376 . . . . 70.23 112.015 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 p -85.65 168.66 14.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.255 0.55 . . . . 65.04 112.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.4 -31.55 72.71 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.026 -0.534 . . . . 51.34 111.894 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.35 -45.54 76.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.996 0.427 . . . . 72.11 111.004 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 13' ' ' LEU . 8.3 mm-40 -61.36 -42.91 99.47 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.202 0.525 . . . . 75.23 110.643 175.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.57 -41.85 91.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 63.2 111.283 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . -59.34 -42.83 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.345 -0.389 . . . . 71.1 110.917 176.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -63.38 -45.8 89.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.403 -0.362 . . . . 75.24 110.819 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 35.4 tt0 -53.8 -46.01 70.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.908 0.385 . . . . 72.2 110.818 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -53.48 -52.8 58.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.074 0.464 . . . . 71.35 111.222 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 28' ' ' ALA . 88.6 mttt -58.56 -43.53 89.38 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.861 -0.608 . . . . 61.44 111.597 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.28 -38.69 91.93 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.294 -0.412 . . . . 65.44 111.165 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 62.4 mtp85 -65.64 -35.49 80.95 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.318 -0.401 . . . . 74.34 111.135 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -64.64 -41.14 96.35 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.872 0.368 . . . . 72.13 110.314 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.25 -36.81 81.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.277 -0.42 . . . . 70.11 110.957 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 CA--C 1.539 0.528 0 CA-C-N 116.118 -0.492 . . . . 52.53 111.122 176.319 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 112.177 0.436 . . . . 70.53 112.177 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.97 93.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 53.33 111.206 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.8 mttt -66.52 -43.58 84.84 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.253 -0.43 . . . . 74.43 110.66 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.68 -45.74 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.098 0.475 . . . . 75.45 111.01 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.07 85.94 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.2 -0.454 . . . . 40.11 111.541 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 23.1 tpt180 -62.8 -41.76 99.42 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.461 -0.336 . . . . 75.41 111.021 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 6' ' ' LYS . 67.5 mt -58.26 -52.81 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.564 0.221 . . . . 73.53 111.532 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -55.82 -42.02 75.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.85 0.357 . . . . 62.32 111.354 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' HG2' ' HE2' ' A' ' 16' ' ' LYS . 36.6 tt0 -61.84 -47.0 87.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.973 0.416 . . . . 71.31 111.222 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 68.5 mt -63.75 -29.56 70.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.451 -0.341 . . . . 75.31 111.285 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.15 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.221 0.534 . . . . 73.13 110.792 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -48.91 60.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.083 0.468 . . . . 24.14 110.725 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HD2' HD23 ' A' ' 13' ' ' LEU . 67.9 mttm -57.89 -36.53 72.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.96 -0.563 . . . . 55.13 111.717 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.67 64.58 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.993 0.425 . . . . 71.4 111.102 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -61.22 -40.41 93.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.426 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.55 60.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.946 0.35 . . . . 71.33 111.946 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.54 5.23 89.69 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 121.288 -0.482 . . . . 64.33 113.379 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.48 12.93 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.271 0.471 . . . . 44.13 112.271 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -81.62 129.97 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.922 0.391 . . . . 73.42 111.404 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.486 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 66.4 p -81.79 164.77 21.44 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.14 0.495 . . . . 74.12 112.121 -178.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.44 -42.81 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.824 -0.626 . . . . 63.0 111.199 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.58 -47.31 86.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.792 -0.64 . . . . 70.51 111.276 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CD ' HH21 ' A' ' 9' ' ' ARG . 71.6 mm-40 -64.4 -31.62 72.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.539 -0.3 . . . . 74.23 111.654 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 23' ' ' THR . 99.5 mttt -64.98 -48.47 73.91 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.018 0.437 . . . . 62.32 111.063 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.42 91.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.138 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.77 -36.19 83.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.268 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.39 -47.82 80.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.016 0.436 . . . . 64.44 110.679 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.9 mt-30 -60.82 -50.06 74.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.016 -0.538 . . . . 55.02 110.588 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -52.66 -44.26 66.04 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.357 -0.838 . . . . 63.32 111.864 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.81 -41.56 91.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.918 0.389 . . . . 74.43 111.369 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -66.12 -28.23 68.65 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.527 -0.306 . . . . 64.03 111.643 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.7 mm-40 -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.091 0.472 . . . . 63.35 109.855 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.89 -37.18 76.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.78 -0.645 . . . . 74.13 111.211 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 CA--C 1.541 0.604 0 CA-C-N 116.146 -0.479 . . . . 53.22 111.304 176.768 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 113.267 0.839 . . . . 71.53 113.267 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.79 84.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.088 0.47 . . . . 74.13 111.907 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 56.0 mttp -70.2 -39.05 75.41 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.875 0.369 . . . . 72.51 111.218 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.36 -47.59 91.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.896 0.379 . . . . 71.12 110.947 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.4 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.159 0.504 . . . . 74.53 111.092 175.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 24.4 tpt180 -61.79 -49.09 77.76 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.399 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 6' ' ' LYS . 69.4 mt -57.25 -47.69 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.555 -0.293 . . . . 75.13 111.168 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -55.29 -51.2 67.43 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.948 0.404 . . . . 74.42 111.47 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.4 tp10 -56.94 -49.31 76.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.082 0.467 . . . . 64.44 110.656 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.5 mt -62.55 -32.49 73.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.14 -0.482 . . . . 72.51 111.675 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.87 94.89 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.161 0.505 . . . . 70.13 111.182 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.33 76.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.139 -0.482 . . . . 65.14 111.093 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.9 mtpm? -59.04 -35.69 73.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.115 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.27 38.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.406 -0.361 . . . . 52.01 111.368 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -60.52 -31.56 70.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.956 0.408 . . . . 74.43 111.679 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.98 -12.93 58.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 111.898 0.333 . . . . 73.04 111.898 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.18 -1.54 88.52 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.298 -0.477 . . . . 72.23 113.12 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.69 28.46 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-O 121.404 0.621 . . . . 75.31 112.044 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.18 135.18 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 120.872 0.367 . . . . 72.03 110.791 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.486 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 31.9 p -84.76 161.12 20.11 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.101 0.476 . . . . 74.23 111.41 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.25 -34.78 74.19 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.103 -0.498 . . . . 73.25 111.17 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.26 -47.35 73.99 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 60.25 110.962 175.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB3' HD22 ' A' ' 13' ' ' LEU . 52.1 mt-10 -57.36 -41.06 79.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.924 0.392 . . . . 73.34 111.388 176.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 53.4 mtpt -61.63 -47.46 85.33 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.465 -0.334 . . . . 74.22 110.946 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.98 84.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.948 0.404 . . . . 65.31 111.305 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -61.34 -47.4 86.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.946 -0.57 . . . . 53.24 111.218 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' HG2' ' HD2' ' A' ' 34' ' ' ARG . 27.4 tt0 -55.69 -50.69 69.6 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.264 -0.425 . . . . 74.34 111.006 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 13.3 mm100 -55.29 -41.9 72.93 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.203 0.525 . . . . 74.2 111.089 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -59.93 -51.0 71.58 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.9 -0.591 . . . . 74.54 111.002 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.01 -30.97 71.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.991 -0.55 . . . . 75.23 111.844 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 30' ' ' GLN . 62.9 mtp180 -65.34 -43.4 91.03 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.833 0.349 . . . . 75.32 111.056 176.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.86 -36.37 84.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.995 0.426 . . . . 64.13 110.966 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.3 -39.85 85.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.45 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.7 t80 . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.705 -178.837 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.111 0.481 . . . . 54.5 110.512 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.65 96.46 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.125 -0.489 . . . . 62.14 111.196 174.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.15 -44.32 96.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.512 -0.313 . . . . 72.24 111.302 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.91 -42.39 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.95 0.405 . . . . 73.35 110.684 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.25 85.91 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.05 0.452 . . . . 73.4 110.915 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -63.64 -35.51 80.78 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.215 -0.448 . . . . 75.45 111.043 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.54 -55.97 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 120.607 0.242 . . . . 74.1 111.116 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -55.52 -36.94 67.27 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.946 0.403 . . . . 55.43 111.225 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.489 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 10.4 tp10 -65.77 -63.29 1.12 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.007 -0.542 . . . . 73.22 111.248 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 26' ' ' GLU . 75.4 mt -57.09 -39.45 75.04 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.279 0.474 . . . . 71.34 112.279 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.225 0.536 . . . . 72.52 110.908 176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.16 96.82 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.105 -0.498 . . . . 42.4 110.963 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HD2' ' HG3' ' A' ' 12' ' ' GLU . 7.6 mtpm? -63.85 -31.78 73.07 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.137 -0.483 . . . . 64.44 111.104 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -41.83 73.23 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.905 0.383 . . . . 73.34 110.724 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -59.94 -43.12 95.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.069 -0.514 . . . . 74.44 111.171 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.97 -10.95 59.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.132 -0.485 . . . . 74.2 112.191 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.33 18.21 80.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.232 -0.508 . . . . 53.52 113.458 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -103.44 23.99 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.245 0.545 . . . . 74.02 111.778 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -99.07 132.08 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 120.978 0.418 . . . . 74.24 111.115 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.7 p -91.54 166.51 12.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.867 0.365 . . . . 64.31 111.96 -178.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -52.93 -46.31 68.03 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.308 -0.405 . . . . 73.31 111.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.6 -48.22 81.69 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.31 -0.404 . . . . 74.35 110.729 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.4 mt-10 -61.92 -40.23 94.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.352 -0.385 . . . . 75.54 111.833 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 23' ' ' THR . 59.4 mtpt -61.13 -39.41 89.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.947 0.403 . . . . 71.34 110.73 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.59 92.86 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.13 111.252 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 18.8 tp10 -66.92 -41.33 87.24 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.688 -0.233 . . . . 75.42 111.303 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.53 ' HA ' HD12 ' A' ' 33' ' ' LEU . 10.0 tt0 -57.68 -39.56 77.41 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.098 0.475 . . . . 74.32 111.283 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.46 -53.28 59.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.498 0.666 . . . . 73.2 109.989 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -56.76 -35.76 69.01 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.136 -0.938 . . . . 71.21 111.946 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 30' ' ' GLN . 92.3 mt -67.35 -44.71 78.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.064 0.459 . . . . 73.13 111.601 177.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -67.66 -36.12 80.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.297 -0.411 . . . . 73.11 111.505 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.85 -31.48 72.51 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.059 0.456 . . . . 74.41 111.035 171.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.38 -41.19 69.99 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.13 0.49 . . . . 73.15 110.973 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 t80 . . . . . 0 CA--C 1.54 0.565 0 CA-C-N 115.777 -0.647 . . . . 61.42 111.298 -179.789 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.583 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 64.13 111.841 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.7 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.873 0.368 . . . . 72.35 111.471 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.59 -32.34 73.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.59 0.233 . . . . 75.02 111.577 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.87 -43.01 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.232 0.539 . . . . 70.14 110.453 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.82 88.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.143 0.497 . . . . 62.42 110.692 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.9 tpt180 -60.03 -41.56 92.48 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.893 -0.594 . . . . 75.51 110.857 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.71 -47.81 91.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.632 -0.258 . . . . 74.3 111.26 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -57.22 -45.5 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.644 0.259 . . . . 73.1 111.365 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -58.34 -52.74 64.34 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.014 0.435 . . . . 74.42 111.387 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.1 mt -64.21 -27.91 69.38 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.333 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.01 77.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.133 0.492 . . . . 72.22 110.854 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.36 86.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.182 0.515 . . . . 71.01 110.461 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 13' ' ' LEU . 67.4 mttm -58.82 -44.26 90.82 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.075 -0.511 . . . . 73.35 111.199 175.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.43 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.923 0.392 . . . . 72.4 111.228 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -61.46 -31.47 71.43 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.998 0.428 . . . . 62.21 111.208 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.6 -12.11 40.72 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.381 -0.372 . . . . 43.51 111.894 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.44 0.98 80.79 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.477 -0.392 . . . . 74.14 113.651 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 m -88.94 9.43 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 112.219 0.452 . . . . 65.04 112.219 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -80.52 135.91 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.888 0.375 . . . . 73.12 111.181 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 29.8 p -82.94 161.33 21.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.106 0.479 . . . . 65.25 111.229 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.7 -35.74 75.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.15 0.5 . . . . 71.01 111.314 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.1 -44.72 79.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.954 -0.567 . . . . 71.51 110.965 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HD22 ' A' ' 13' ' ' LEU . 61.6 mt-10 -64.03 -33.96 76.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.981 0.42 . . . . 75.21 111.152 176.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 23' ' ' THR . 9.8 mtpm? -62.93 -44.93 94.75 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.45 -0.341 . . . . 73.44 110.79 174.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.03 90.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.157 0.503 . . . . 64.01 110.781 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.34 -51.98 66.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.901 -0.59 . . . . 73.1 111.289 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 36.6 tt0 -54.09 -49.51 68.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.508 -0.315 . . . . 72.3 111.49 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.34 -47.47 83.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.844 0.354 . . . . 64.43 110.868 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.71 -50.65 69.74 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.366 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.83 -30.3 71.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.597 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 48.0 mtp85 -64.8 -41.14 96.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 61.1 111.518 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.22 -43.3 95.38 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 122.081 -0.387 . . . . 71.33 110.838 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.95 -31.14 71.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 63.44 111.327 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 N--CA 1.467 0.407 0 CA-C-N 116.12 -0.491 . . . . 74.02 111.172 176.737 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.712 0.264 . . . . 75.2 111.712 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.94 91.17 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 64.02 111.452 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -39.14 80.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.185 -0.461 . . . . 54.35 111.155 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.88 -44.18 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 121.093 0.473 . . . . 74.11 110.677 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.95 75.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.227 -0.442 . . . . 50.31 111.192 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.08 -44.83 87.64 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.244 -0.434 . . . . 72.31 111.034 176.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.54 -45.74 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 120.816 0.341 . . . . 73.42 111.211 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.78 -42.53 89.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.309 0.576 . . . . 72.44 111.189 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 34.7 tt0 -60.84 -60.72 3.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.821 -0.627 . . . . 72.43 111.534 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 26' ' ' GLU . 81.5 mt -61.6 -28.95 69.72 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.926 -0.579 . . . . 74.53 111.793 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.07 90.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.054 0.454 . . . . 74.22 110.793 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.25 79.21 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.935 0.398 . . . . 64.11 110.914 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.4 mtpm? -58.82 -32.67 69.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.265 -0.425 . . . . 73.21 110.802 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.66 74.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.295 -0.411 . . . . 73.35 111.387 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -70.02 -27.14 64.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.736 0.303 . . . . 62.52 111.346 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.42 -14.03 33.72 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 120.885 0.374 . . . . 60.14 111.838 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.96 -8.47 73.04 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.231 -0.509 . . . . 60.34 113.317 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 34.6 m -83.34 27.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 N-CA-C 112.196 0.443 . . . . 63.3 112.196 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.81 127.27 58.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.8 0.333 . . . . 74.24 110.79 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 32.2 p -74.82 161.93 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.911 -0.493 . . . . 71.4 111.454 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.29 -34.77 72.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.261 0.553 . . . . 72.34 110.838 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.19 -42.66 68.73 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.906 -0.588 . . . . 73.52 111.25 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.6 mt-10 -61.52 -35.45 77.76 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.662 0.267 . . . . 73.4 111.02 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 23' ' ' THR . 58.6 mtpt -63.24 -37.49 87.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.799 0.333 . . . . 74.51 110.811 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.69 -38.25 76.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.333 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -64.98 -46.38 81.73 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.106 0.479 . . . . 73.1 110.251 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -55.91 -49.92 72.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.078 -0.51 . . . . 75.4 110.219 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -49.59 -60.89 2.46 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.76 -0.655 . . . . 73.14 111.374 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -47.82 -46.72 31.13 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.138 0.575 . . . . 65.43 111.799 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.58 -25.56 59.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.081 -0.509 . . . . 53.31 112.351 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 58.9 mtp180 -68.67 -37.98 80.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.019 -0.426 . . . . 64.23 110.805 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.64 -45.68 91.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.93 -0.396 . . . . 53.03 109.93 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.24 -40.08 67.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.002 0.429 . . . . 64.12 111.21 173.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 CA--C 1.539 0.52 0 CA-C-N 116.04 -0.527 . . . . 74.43 111.409 177.48 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.669 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.6 OUTLIER . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.739 0.644 . . . . 63.22 112.739 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.43 85.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.049 0.452 . . . . 53.42 111.723 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.91 -40.36 68.88 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.432 -0.349 . . . . 52.44 111.386 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.5 mt -54.88 -46.65 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 121.063 0.459 . . . . 62.23 111.097 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.26 90.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.857 0.361 . . . . 60.25 111.302 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.84 -31.83 71.93 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.617 0.229 . . . . 73.13 111.617 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.43 -49.7 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 120.839 0.352 . . . . 72.51 110.383 173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -61.32 -39.08 89.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.232 -0.44 . . . . 72.35 111.329 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -54.57 -54.31 42.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.519 0.676 . . . . 71.23 110.899 173.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 16' ' ' LYS . 84.0 mt -72.27 -22.15 61.26 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.735 -0.666 . . . . 61.02 111.69 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.08 -43.77 67.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.918 0.39 . . . . 53.54 110.93 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.9 77.28 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.213 0.53 . . . . 72.21 110.33 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 52.5 mttm -55.51 -45.2 77.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.753 -0.658 . . . . 75.23 111.802 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.2 94.09 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.36 -0.382 . . . . 43.13 111.985 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -72.77 -40.04 66.28 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.768 0.318 . . . . 74.43 111.748 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.27 61.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.003 0.43 . . . . 61.34 111.752 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.3 86.43 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.294 -0.479 . . . . 64.32 113.448 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.11 20.95 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 120.963 0.411 . . . . 55.55 111.75 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 18.0 tt -104.3 133.48 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.078 0.466 . . . . 75.42 111.518 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p -93.02 165.24 12.95 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.985 0.421 . . . . 74.31 111.825 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.67 -30.42 67.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.318 -0.401 . . . . 70.22 111.826 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.17 -50.32 48.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.352 . . . . 64.54 111.14 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.7 -38.31 78.01 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.321 0.582 . . . . 70.01 110.599 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG3' HG12 ' A' ' 22' ' ' ILE . 58.3 mtpt -64.27 -35.59 81.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.976 -0.556 . . . . 71.55 111.087 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.3 93.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.368 -0.378 . . . . 41.43 111.094 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.0 tt0 -67.32 -37.77 83.85 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.629 -0.259 . . . . 74.51 110.408 175.291 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.69 -41.07 69.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.307 0.575 . . . . 75.11 110.453 172.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 61.8 tt0 -63.77 -47.99 78.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.101 -0.5 . . . . 71.21 110.686 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.69 -46.86 70.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.934 -0.575 . . . . 74.01 111.438 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 65.5 mt -63.17 -43.07 99.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.991 -0.55 . . . . 70.22 111.151 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 31' ' ' GLN . 91.0 mtm180 -64.49 -29.9 70.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.187 -0.46 . . . . 74.45 111.759 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 87.9 mm-40 -61.35 -54.1 48.14 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.852 0.358 . . . . 71.11 110.227 173.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -53.66 -39.2 64.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.496 0.665 . . . . 70.04 110.897 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.4 t80 . . . . . 0 CA--C 1.54 0.579 0 CA-C-N 115.309 -0.859 . . . . 62.4 111.857 178.583 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.62 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.892 0.377 . . . . 74.11 111.67 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.06 97.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.877 0.37 . . . . 75.42 110.856 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.89 -37.76 88.72 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.405 -0.361 . . . . 71.54 111.348 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.15 -46.55 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 120.939 0.4 . . . . 73.01 111.27 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.89 -46.08 82.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.06 0.457 . . . . 52.31 110.783 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -59.04 -42.24 89.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.957 -0.565 . . . . 73.41 111.534 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.89 -45.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.695 0.283 . . . . 71.25 111.293 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -68.08 -32.93 73.61 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 111.821 0.304 . . . . 72.24 111.821 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.24 -50.54 71.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.089 0.471 . . . . 75.45 110.785 175.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' HB3' HE21 ' A' ' 30' ' ' GLN . 82.4 mt -66.77 -40.79 88.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.029 -0.532 . . . . 72.54 111.008 177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.18 84.01 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.314 -0.403 . . . . 61.3 111.128 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.38 74.46 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.216 0.532 . . . . 54.11 111.073 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.0 -36.7 80.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.246 -0.434 . . . . 74.52 111.068 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.49 -33.97 62.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.303 -0.408 . . . . 73.11 111.556 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -68.36 -38.56 81.53 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.859 0.362 . . . . 74.32 110.783 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -47.79 48.71 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.981 0.419 . . . . 74.31 110.984 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.12 34.52 2.94 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.197 -0.456 . . . . 61.53 113.131 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.94 -7.97 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 122.359 -0.494 . . . . 74.22 112.173 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.54 140.01 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 112.629 0.603 . . . . 73.15 112.629 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.8 p -95.2 163.67 13.18 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.357 -0.383 . . . . 33.32 111.854 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.25 -34.78 74.17 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.2 -50.12 74.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.101 0.477 . . . . 73.12 110.776 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.93 -35.85 81.47 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.091 -0.504 . . . . 53.41 111.074 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.17 -30.28 68.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.632 -0.258 . . . . 73.21 111.663 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.39 70.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.301 0.572 . . . . 73.43 110.419 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.05 -50.4 73.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.576 -0.738 . . . . 74.11 110.669 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.488 HE21 ' HB3' ' A' ' 13' ' ' LEU . 6.9 tt0 -53.57 -44.34 69.24 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.973 -0.558 . . . . 63.32 111.506 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 30.1 tt0 -58.34 -52.41 65.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.363 -0.381 . . . . 34.3 110.87 177.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.99 -47.07 84.11 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.128 -0.487 . . . . 71.12 111.831 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 99.2 mt -65.03 -37.26 87.01 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.5 -0.318 . . . . 74.02 111.659 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -65.89 -35.57 81.01 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 121.258 -0.177 . . . . 73.42 111.271 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 81.1 mm-40 -61.25 -44.24 97.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.976 0.417 . . . . 71.42 110.18 174.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.4 mm-40 -51.23 -42.79 61.22 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.414 0.626 . . . . 74.13 110.76 172.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 t80 . . . . . 0 CA--C 1.539 0.557 0 CA-C-N 115.289 -0.869 . . . . 64.32 111.339 -179.841 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.654 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.581 0 CA-C-O 120.85 0.357 . . . . 73.24 110.947 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.6 99.74 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.945 172.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 10' ' ' ILE . 67.8 mttm -66.78 -36.8 83.24 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.896 0.379 . . . . 61.43 110.683 176.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.19 -43.32 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.063 0.459 . . . . 63.11 110.402 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.57 86.39 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.076 -0.511 . . . . 64.05 110.776 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.8 tpt180 -61.95 -41.16 97.66 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.954 175.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.2 mt -55.94 -44.95 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.761 0.315 . . . . 75.31 110.843 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -66.69 -40.0 88.33 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.99 0.424 . . . . 63.1 111.152 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.1 -48.62 75.82 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.488 0.661 . . . . 71.34 110.661 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 26' ' ' GLU . 72.4 mt -72.16 -29.82 64.4 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.65 -0.704 . . . . 74.52 111.308 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.9 99.64 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 70.42 110.458 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.24 74.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.048 0.452 . . . . 64.31 110.848 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -57.68 -35.1 70.13 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.587 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.9 79.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.954 0.407 . . . . 65.4 111.365 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -65.93 -41.85 90.82 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.457 -0.338 . . . . 71.35 111.009 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.32 -29.07 59.9 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.939 0.4 . . . . 43.11 111.759 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.42 63.62 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.598 -0.274 . . . . 52.21 113.405 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.93 15.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 112.248 0.462 . . . . 73.13 112.248 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.74 128.4 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-O 121.205 0.526 . . . . 73.12 111.755 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.9 p -87.15 168.06 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.906 0.384 . . . . 73.25 111.693 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.93 -42.98 95.16 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.339 -0.391 . . . . 73.14 111.528 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.83 -42.98 98.81 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.117 0.484 . . . . 75.35 110.95 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HB3' HD22 ' A' ' 13' ' ' LEU . 14.3 mm-40 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.109 -0.496 . . . . 62.24 111.122 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' THR . 54.3 mtpt -62.89 -44.14 96.89 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.884 0.373 . . . . 71.25 111.573 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.56 83.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.993 0.425 . . . . 71.04 111.333 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 tt0 -67.02 -42.89 84.16 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.33 -0.395 . . . . 72.44 111.011 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.5 tt0 -51.89 -49.88 62.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.972 0.415 . . . . 55.54 111.067 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.1 tt0 -58.67 -48.7 80.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.308 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.51 -36.48 83.9 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 120.801 0.334 . . . . 70.34 111.536 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 85.2 mt -65.09 -39.56 93.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.014 0.435 . . . . 61.55 110.797 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 70.9 mtp85 -62.92 -36.29 82.91 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.015 0.436 . . . . 74.52 110.633 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 89.7 mm-40 -63.91 -38.87 92.66 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.355 -0.384 . . . . 75.11 111.144 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.56 -45.28 93.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.904 0.383 . . . . 44.5 111.27 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 CA--C 1.544 0.726 0 CA-C-N 116.129 -0.487 . . . . 74.45 111.714 -178.593 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.698 0.629 . . . . 61.01 112.698 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.24 76.97 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.033 0.444 . . . . 64.35 111.463 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 95.7 mttt -79.14 -43.26 24.37 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.36 -0.382 . . . . 55.14 111.235 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.94 -47.01 92.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 120.741 0.305 . . . . 71.35 111.308 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.4 77.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.12 0.486 . . . . 74.1 110.947 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -53.48 -42.54 67.37 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.796 -0.638 . . . . 74.15 111.091 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 6' ' ' LYS . 76.5 mt -59.65 -44.26 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 111.489 0.181 . . . . 64.12 111.489 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -58.47 -43.56 88.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.947 0.403 . . . . 74.32 111.077 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 14.9 tp10 -59.0 -54.33 48.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.921 -0.581 . . . . 72.53 111.077 175.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.75 -35.76 77.22 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.012 -0.54 . . . . 72.32 111.646 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -50.99 71.38 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.317 -0.402 . . . . 32.52 110.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.57 73.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.042 0.449 . . . . 75.21 110.943 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 68.1 mttm -61.11 -39.18 89.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.992 -0.549 . . . . 63.34 111.422 175.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.06 96.09 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.505 -0.316 . . . . 64.53 111.748 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -19.13 58.58 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.782 0.325 . . . . 75.5 111.489 176.639 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.18 -22.98 26.68 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.877 0.37 . . . . 63.02 111.64 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.55 -0.8 89.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.364 -0.446 . . . . 54.05 113.682 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -88.87 12.96 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 112.427 0.529 . . . . 65.53 112.427 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 tt -84.36 126.13 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 121.074 0.464 . . . . 64.1 111.976 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.9 p -81.41 173.24 12.62 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.894 0.378 . . . . 74.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 30.9 mt-10 -65.66 -38.2 88.67 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.216 -0.302 . . . . 65.23 111.324 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -63.96 -40.71 97.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.596 0.236 . . . . 71.31 110.983 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.27 -30.93 69.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.755 0.312 . . . . 71.25 111.034 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 24' ' ' GLU . 59.5 mttm -63.26 -48.43 78.24 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.154 0.502 . . . . 72.4 110.567 171.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.24 86.46 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.009 -0.541 . . . . 55.44 110.961 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -59.27 -48.91 79.84 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.323 0.583 . . . . 73.11 110.701 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -57.52 -52.09 66.8 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.74 -0.664 . . . . 74.32 111.074 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.2 tt0 -57.45 -44.54 84.85 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.941 0.4 . . . . 75.12 111.116 177.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -52.69 -56.2 17.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.374 0.607 . . . . 63.01 111.263 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.86 -26.45 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.675 -0.693 . . . . 65.33 111.891 -177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 73.3 mtp85 -67.41 -35.38 79.15 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 122.12 -0.362 . . . . 74.21 110.338 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 86.6 mm-40 -63.56 -39.86 95.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.018 0.437 . . . . 73.13 110.396 172.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.2 -41.96 89.78 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.402 0.62 . . . . 53.3 110.38 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.542 0.636 0 CA-C-N 115.398 -0.819 . . . . 64.53 111.537 176.047 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.499 0.19 . . . . 72.14 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -133.53 145.3 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 121.267 0.556 . . . . 72.12 112.48 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -120.37 170.87 8.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.02 -0.536 . . . . 62.32 110.615 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -53.66 -39.77 65.34 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.052 0.389 . . . . 50.23 112.052 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.57 79.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.039 0.447 . . . . 75.31 111.431 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -74.91 -31.25 61.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.358 -0.383 . . . . 73.14 111.924 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.28 -45.3 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.115 0.483 . . . . 74.55 110.421 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.6 93.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.054 -0.521 . . . . 73.04 110.927 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.633 ' NH1' HD21 ' A' ' 13' ' ' LEU . 22.6 tpt180 -56.31 -43.67 79.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.043 -0.526 . . . . 64.42 111.156 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.97 -51.78 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 122.303 -0.248 . . . . 74.32 111.455 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.89 -32.78 72.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.987 0.422 . . . . 71.35 111.404 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 23.4 tt0 -61.59 -54.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.309 0.576 . . . . 55.22 110.793 173.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.633 HD21 ' NH1' ' A' ' 9' ' ' ARG . 65.1 mt -63.53 -44.82 93.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.568 -0.742 . . . . 73.53 111.483 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.83 73.27 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.288 -0.414 . . . . 74.11 110.863 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.85 93.96 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.109 0.481 . . . . 63.51 111.053 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 98.6 mttt -61.47 -38.71 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.305 -0.407 . . . . 73.32 111.204 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.47 64.95 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.062 0.458 . . . . 52.25 111.488 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -61.7 -31.84 72.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.096 -0.502 . . . . 75.15 110.998 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.71 26.9 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.383 -0.371 . . . . 64.01 111.721 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.91 -5.23 27.38 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 116.243 -0.435 . . . . 54.4 113.364 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.08 13.43 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.612 0.597 . . . . 72.33 112.612 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.2 tt -84.14 128.43 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 120.992 0.425 . . . . 74.21 111.908 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -84.43 165.67 17.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.125 0.488 . . . . 60.1 111.797 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 26.1 mm-40 -56.7 -39.18 73.4 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.952 -0.567 . . . . 75.53 111.989 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.28 -47.4 79.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.41 -0.359 . . . . 72.33 111.391 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 13' ' ' LEU . 9.7 mm-40 -59.33 -44.5 92.61 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.053 0.454 . . . . 72.0 110.643 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 22' ' ' ILE . 53.6 mtpt -56.95 -46.74 81.9 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.091 -0.504 . . . . 65.51 112.039 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.08 82.26 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.05 0.452 . . . . 74.11 111.684 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.88 -41.68 91.26 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.972 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 27.4 tt0 -52.17 -57.65 8.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.993 0.425 . . . . 63.31 111.274 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.87 -44.29 70.29 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.087 -0.506 . . . . 75.13 111.674 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -64.24 -51.58 62.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.603 0.24 . . . . 62.04 111.352 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.907 0.336 . . . . 63.33 111.907 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 81.4 mtp180 -59.96 -38.82 83.59 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.788 0.327 . . . . 74.24 110.676 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -66.77 -42.59 85.84 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.973 0.416 . . . . 75.05 110.99 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -56.39 -31.22 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.28 0.562 . . . . 54.44 110.475 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.09 -40.32 38.77 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.798 -0.637 . . . . 73.43 111.055 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 84.2 mt -67.26 -11.74 58.27 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.707 0.632 . . . . 64.32 112.707 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -50.07 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.771 0.32 . . . . 73.51 111.578 173.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.99 -12.79 61.03 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 121.249 -0.501 . . . . 3.11 113.667 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -73.85 121.08 20.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.006 0.431 . . . . 64.34 111.563 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -111.22 161.56 15.87 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.815 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.49 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 34.0 m -83.13 95.14 8.0 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.955 0.407 . . . . 72.44 111.569 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -56.77 -37.44 71.1 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.59 0.589 . . . . 64.2 112.59 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.1 ptm -60.4 -25.53 65.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.972 0.415 . . . . 72.03 112.027 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -117.73 -6.87 11.06 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.977 0.418 . . . . 72.24 111.092 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 tp 62.84 22.23 13.28 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.662 0.744 . . . . 72.42 110.388 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 33.8 tt0 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.622 -0.704 . . . . 53.4 111.829 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.561 0.696 . . . . 33.31 110.28 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -72.01 123.99 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.535 -0.757 . . . . 51.34 112.823 -170.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 m -73.48 147.21 44.31 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.816 -0.629 . . . . 75.41 110.732 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -55.1 -32.56 62.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.04 0.385 . . . . 74.43 112.04 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.49 80.07 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.083 0.468 . . . . 71.23 111.589 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HB3' HD22 ' A' ' 33' ' ' LEU . 95.5 mttt -67.07 -41.26 86.69 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.922 0.391 . . . . 74.13 110.657 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -57.43 -42.9 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.123 0.487 . . . . 74.21 110.837 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.46 76.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.02 0.438 . . . . 64.52 111.179 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -63.72 -38.7 92.09 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.994 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.19 -41.68 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 61.43 111.295 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -59.5 -37.05 77.26 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.078 0.466 . . . . 52.42 111.018 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.51 -57.6 7.82 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.123 0.487 . . . . 75.32 111.27 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 26' ' ' GLU . 83.1 mt -60.19 -40.11 88.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.926 -0.579 . . . . 73.13 111.986 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.99 97.03 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.94 0.4 . . . . 75.42 111.042 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.0 77.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.949 0.404 . . . . 73.44 110.958 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 97.2 mttt -56.89 -44.78 82.66 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.12 -0.491 . . . . 60.51 111.361 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.8 86.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.118 0.485 . . . . 63.15 111.58 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -62.81 -34.06 76.52 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.055 -0.52 . . . . 62.15 111.137 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.47 33.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.838 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.11 7.85 63.66 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.252 -0.499 . . . . 72.51 113.056 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.6 27.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.96 0.41 . . . . 63.43 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 17.1 tt -106.91 141.41 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 120.765 0.317 . . . . 73.52 111.444 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.7 p -88.1 158.77 18.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.429 0.633 . . . . 61.51 111.956 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 17.1 mm-40 -53.81 -37.29 63.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.659 -0.701 . . . . 61.45 111.957 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.5 -40.97 85.18 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.675 -0.238 . . . . 74.24 111.522 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HB3' HD22 ' A' ' 13' ' ' LEU . 28.7 mt-10 -71.34 -34.01 70.12 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 122.156 -0.34 . . . . 73.52 111.154 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 59.0 mtpt -60.07 -43.3 95.54 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.066 0.46 . . . . 74.34 110.927 174.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.16 96.86 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.026 0.441 . . . . 72.44 110.912 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -62.15 -39.83 93.94 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.345 -0.389 . . . . 74.1 110.927 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 50.2 tt0 -59.06 -48.22 82.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.996 0.426 . . . . 75.01 110.701 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -55.76 -46.79 77.79 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.92 -0.582 . . . . 71.35 110.966 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -54.91 -52.49 62.75 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.762 -0.654 . . . . 61.43 111.623 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 6' ' ' LYS . 97.0 mt -63.84 -40.69 97.2 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.067 -0.515 . . . . 73.1 111.98 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 74.5 mtp180 -63.0 -38.86 92.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.611 0.243 . . . . 74.34 111.395 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.623 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 74.1 mm-40 -61.07 -53.19 60.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.725 0.297 . . . . 73.13 110.846 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -33.2 59.76 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.342 0.591 . . . . 74.0 110.707 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 67.5 t80 -64.67 -51.16 63.98 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.671 -0.695 . . . . 74.25 111.077 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.9 mt -60.05 -36.58 77.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.347 -0.388 . . . . 73.11 111.595 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.623 ' HD3' ' O ' ' A' ' 35' ' ' GLN . 13.4 mptt -60.01 103.13 0.2 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.003 0.43 . . . . 64.24 111.656 177.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.27 -14.73 64.65 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.16 -0.543 . . . . 72.52 113.423 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 81.0 t80 -69.58 -45.14 69.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.177 0.513 . . . . 70.42 111.063 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -96.26 141.03 30.08 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.981 -0.554 . . . . 70.43 111.074 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.2 t -140.08 143.93 36.56 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.738 0.304 . . . . 51.3 110.964 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.1 t -85.48 99.78 11.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.155 0.503 . . . . 73.22 110.864 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 46.0 tpp -73.13 93.28 1.8 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.502 0.667 . . . . 71.14 111.285 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -114.67 -172.1 2.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.93 -0.577 . . . . 74.2 111.16 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 47' ' ' LEU . 2.5 pt? -150.48 168.51 23.97 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.896 0.379 . . . . 74.4 111.022 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.71 -0.662 . . . . 73.32 111.843 178.148 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.736 0.303 . . . . 64.44 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -69.98 135.08 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 112.376 0.51 . . . . 72.44 112.376 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -80.77 144.9 31.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.784 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -57.21 -23.31 46.92 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.693 0.282 . . . . 70.24 111.723 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.03 91.38 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.119 0.485 . . . . 42.43 111.431 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -70.54 -36.97 73.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.435 -0.348 . . . . 70.43 110.896 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.95 -46.25 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.876 0.37 . . . . 63.45 111.033 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.0 81.55 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.161 0.505 . . . . 74.25 111.21 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.45 -44.72 96.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.989 -0.551 . . . . 74.34 111.034 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.9 -45.18 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.891 0.377 . . . . 64.52 110.814 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.32 -31.59 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.312 -0.404 . . . . 73.12 111.485 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -74.9 -50.63 16.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.94 0.4 . . . . 75.32 111.126 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 26' ' ' GLU . 92.6 mt -60.96 -35.54 77.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.85 0.357 . . . . 55.45 111.2 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.86 85.46 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.944 0.402 . . . . 64.24 110.904 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.81 93.12 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.093 0.473 . . . . 62.21 110.943 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.74 -39.13 87.53 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.015 -0.539 . . . . 70.22 111.164 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.94 95.73 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.32 -0.4 . . . . 74.14 111.232 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.19 -38.53 91.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.088 0.47 . . . . 65.44 110.943 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.91 -9.59 59.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.296 -0.411 . . . . 72.25 111.676 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.89 5.31 64.54 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.469 -0.396 . . . . 41.32 113.909 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.14 -0.25 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 112.325 0.491 . . . . 64.02 112.325 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -75.27 131.52 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 120.745 0.307 . . . . 74.15 111.451 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 72.7 p -83.67 163.5 20.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.297 0.57 . . . . 64.14 112.174 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.39 -41.79 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.722 -0.672 . . . . 62.31 111.763 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.81 -44.94 84.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.831 0.348 . . . . 71.44 111.161 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.3 mt-10 -63.54 -33.47 75.66 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.772 0.32 . . . . 74.33 111.356 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' THR . 98.2 mttt -60.92 -49.78 76.06 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.946 0.403 . . . . 62.3 110.806 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.62 84.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.058 -0.519 . . . . 45.24 110.92 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.09 -46.51 88.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.179 -0.464 . . . . 74.5 111.377 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 62.1 tt0 -57.61 -44.44 85.5 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.768 0.318 . . . . 62.05 111.222 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -57.98 -47.71 82.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.891 0.376 . . . . 74.44 111.071 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.89 -49.12 76.5 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.861 -0.608 . . . . 73.33 111.59 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.86 -33.32 75.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.314 -0.403 . . . . 63.43 111.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 18.2 mtp180 -65.4 -30.61 71.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.706 0.289 . . . . 71.0 111.233 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -69.04 -39.21 79.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.829 0.347 . . . . 71.12 110.35 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -57.75 -39.54 77.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.283 0.563 . . . . 72.21 110.252 172.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 80.0 t80 -62.07 -49.0 77.72 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.588 -0.733 . . . . 74.35 111.054 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.59 -15.05 63.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.495 0.554 . . . . 72.5 112.495 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.63 90.65 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.176 0.512 . . . . 71.31 110.76 172.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.0 -44.14 1.68 Allowed Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.863 -0.608 . . . . 64.22 112.548 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 83.3 m-85 -78.0 137.9 38.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.217 0.532 . . . . 74.41 112.418 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 63.54 12.28 6.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.712 -0.676 . . . . 74.33 112.346 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -103.93 133.15 49.39 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.099 -0.5 . . . . 75.43 110.406 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.2 t -53.33 118.79 4.09 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.201 0.524 . . . . 75.35 112.165 -176.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -82.26 67.35 8.24 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.482 0.658 . . . . 71.43 111.36 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.24 107.76 7.56 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.304 0.573 . . . . 73.14 112.13 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.85 121.62 5.45 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.455 -0.793 . . . . 73.32 109.786 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.253 1.28 0 CA-C-O 118.678 -0.677 . . . . 61.51 112.239 -174.96 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.451 0.167 . . . . 75.24 111.146 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.436 HG21 ' HA ' ' A' ' 37' ' ' TYR . 12.2 tt -65.21 115.13 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.265 0.555 . . . . 73.34 111.498 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -69.33 153.0 44.3 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.097 -0.502 . . . . 60.1 112.092 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -56.51 -28.27 59.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.17 -0.468 . . . . 72.14 111.154 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.42 99.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.047 0.451 . . . . 43.52 110.905 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.2 mttt -68.31 -41.77 80.37 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.037 -0.529 . . . . 74.11 110.87 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.63 -47.07 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.008 0.432 . . . . 64.25 110.941 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.94 90.2 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.881 0.372 . . . . 43.33 110.982 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.5 tpt180 -60.62 -42.64 97.28 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.249 -0.432 . . . . 70.25 110.849 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.3 mt -57.08 -47.78 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.525 -0.307 . . . . 72.44 110.964 174.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -57.79 -43.37 85.57 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.487 -0.324 . . . . 71.01 111.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.38 -53.8 51.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.046 0.451 . . . . 75.21 111.404 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.0 mt -62.34 -39.59 93.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.13 -0.486 . . . . 44.33 111.376 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.32 77.58 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.994 0.426 . . . . 64.24 111.03 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.34 70.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.227 0.537 . . . . 71.13 110.287 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.22 -37.22 71.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.606 -0.725 . . . . 75.52 111.197 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.25 72.98 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.098 -0.501 . . . . 73.21 111.268 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -58.91 -42.72 90.3 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.362 -0.381 . . . . 73.11 111.195 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.73 60.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.268 0.47 . . . . 30.11 112.268 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.86 24.52 64.34 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.257 -0.497 . . . . 72.23 113.533 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.26 8.84 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.367 -0.49 . . . . 61.14 112.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.36 129.66 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 120.916 0.389 . . . . 74.42 111.531 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 50.1 p -89.65 171.98 9.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.288 0.477 . . . . 73.31 112.288 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.53 -59.84 3.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.369 0.507 . . . . 63.42 112.369 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -51.83 -40.87 61.22 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.003 -0.544 . . . . 74.04 111.781 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HB3' HD22 ' A' ' 13' ' ' LEU . 41.9 mt-10 -70.53 -39.34 74.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 62.14 111.629 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 23' ' ' THR . 57.8 mtpt -61.13 -41.52 96.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.106 0.479 . . . . 65.14 110.877 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.84 86.56 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.935 -0.575 . . . . 74.42 111.149 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.5 tp10 -58.99 -43.81 91.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.052 -0.522 . . . . 64.34 110.662 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.8 -45.85 91.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.348 -0.387 . . . . 73.04 111.464 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -58.83 -50.66 73.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.287 0.565 . . . . 72.3 110.682 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -50.05 -49.81 49.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.45 -0.796 . . . . 74.2 111.953 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 89.6 mt -68.3 -34.02 75.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.385 -0.371 . . . . 63.01 111.748 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 24.3 mtp180 -63.93 -35.87 82.08 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.695 0.283 . . . . 74.11 110.279 174.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 26.2 mm-40 -62.95 -45.44 92.46 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.939 -0.393 . . . . 72.21 109.939 172.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.585 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 21.8 mm-40 -54.13 -42.78 69.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.048 -0.524 . . . . 60.11 110.99 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HA ' HG21 ' A' ' 2' ' ' ILE . 49.2 t80 -68.46 -29.79 68.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.563 -0.744 . . . . 72.13 111.41 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.2 mt -80.13 -21.62 42.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.318 0.488 . . . . 72.11 112.318 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 44.1 mtmt -63.07 90.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.053 0.454 . . . . 63.01 111.434 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.07 -8.43 45.43 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.275 -0.488 . . . . 53.53 112.981 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -92.29 119.27 31.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.225 0.536 . . . . 74.51 111.955 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 42' ' ' ARG . 51.6 mtp180 -119.01 168.68 10.58 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.902 -0.59 . . . . 72.13 110.132 176.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.79 135.5 15.33 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.653 0.612 . . . . 50.22 112.653 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -74.47 106.83 6.26 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.246 -0.433 . . . . 72.11 109.975 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.0 mtm -103.35 145.92 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.138 0.421 . . . . 74.15 112.138 -173.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -105.1 99.53 9.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.369 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -164.26 16.45 0.06 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.14 -0.482 . . . . 53.11 111.926 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.255 1.346 0 CA-C-O 118.577 -0.725 . . . . 72.53 111.158 -178.241 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.919 0.39 . . . . 75.44 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.427 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 16.4 tt -99.93 141.73 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.058 0.456 . . . . 63.53 111.699 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -108.37 161.15 15.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.123 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.83 -32.66 60.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 53.14 111.609 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.65 98.77 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.936 0.398 . . . . 71.24 111.338 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 97.5 mttt -67.71 -42.27 82.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.43 -0.35 . . . . 54.53 111.327 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.4 mt -58.68 -47.7 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.897 0.379 . . . . 61.54 111.402 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.15 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.995 0.426 . . . . 65.24 111.187 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -63.18 -42.36 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.868 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.39 -46.58 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.773 0.32 . . . . 63.5 111.051 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.64 -42.83 84.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.397 -0.365 . . . . 75.31 111.832 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -59.05 -57.74 11.73 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.496 0.665 . . . . 74.3 110.791 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 26' ' ' GLU . 65.4 mt -64.02 -27.26 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.582 -0.736 . . . . 63.13 111.762 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.6 71.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.056 0.455 . . . . 51.41 110.958 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.62 95.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.062 -0.517 . . . . 54.21 110.777 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 95.6 mttt -61.34 -40.59 94.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.03 -0.532 . . . . 72.42 111.848 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.97 88.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.851 0.358 . . . . 52.0 111.576 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -67.0 -36.47 82.23 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.908 0.385 . . . . 75.01 111.34 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.02 -22.82 55.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.91 0.385 . . . . 74.13 111.732 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.72 15.68 70.03 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.388 -0.434 . . . . 60.01 113.517 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.45 15.16 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 122.398 -0.472 . . . . 74.02 112.196 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 16.0 tt -92.61 134.75 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.518 -0.31 . . . . 74.32 111.684 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -82.15 162.47 22.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.192 0.52 . . . . 63.34 112.124 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 16.2 mm-40 -57.74 -41.23 81.43 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.891 -0.595 . . . . 71.52 111.667 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.62 -50.22 74.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.783 0.325 . . . . 71.2 111.386 174.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.7 mt-10 -61.63 -33.36 73.8 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.688 0.28 . . . . 65.3 111.525 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.8 mtpt -64.59 -45.01 88.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.082 0.468 . . . . 64.52 111.136 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.38 97.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.055 0.455 . . . . 74.14 110.956 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.76 -44.14 97.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.787 -0.642 . . . . 75.25 110.614 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -57.71 -43.44 85.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.136 -0.483 . . . . 62.41 111.284 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.525 ' HG2' ' OE1' ' A' ' 35' ' ' GLN . 53.6 tt0 -63.06 -51.17 67.75 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.892 0.377 . . . . 72.31 110.41 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -47.59 -52.38 17.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.027 -0.533 . . . . 63.34 111.212 176.096 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 80.4 mt -63.53 -34.72 78.42 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.165 -0.47 . . . . 42.53 112.044 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 87.6 mtm180 -68.34 -34.5 76.2 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.266 -0.271 . . . . 75.01 111.676 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' OE1' ' HG2' ' A' ' 31' ' ' GLN . 1.5 mp0 -65.93 -40.85 91.76 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.995 -0.44 . . . . 72.11 110.253 169.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 9.0 mm-40 -54.4 -43.5 71.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.141 0.496 . . . . 72.1 110.432 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' HG21 ' A' ' 2' ' ' ILE . 78.0 t80 -65.68 -38.0 88.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.577 -0.738 . . . . 75.32 111.35 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 93.5 mt -72.56 -17.47 61.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.321 0.489 . . . . 71.32 112.321 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 75.0 mmtt -63.53 108.59 1.41 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.046 0.45 . . . . 74.12 110.861 177.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.98 -34.43 3.75 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.174 -0.536 . . . . 54.23 113.104 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.91 -42.46 93.92 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.953 0.406 . . . . 62.41 112.023 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -74.21 -31.73 62.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.755 0.312 . . . . 73.0 111.494 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.8 t 57.75 26.66 13.35 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.824 0.345 . . . . 52.24 111.737 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.0 p 57.21 11.43 1.07 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.717 0.807 . . . . 50.31 112.633 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 13.4 tpt -87.19 129.07 35.1 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.226 -0.296 . . . . 74.43 111.165 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 57.94 89.79 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.417 0.627 . . . . 72.3 111.831 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -115.76 117.18 29.51 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.789 -0.449 . . . . 54.53 109.789 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.252 1.227 0 CA-C-O 119.045 -0.503 . . . . 64.22 111.505 -177.415 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.707 0.289 . . . . 71.22 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.55 121.64 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 121.163 0.506 . . . . 71.12 111.354 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -64.71 144.04 57.51 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.228 -0.442 . . . . 65.12 111.615 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -53.98 -35.54 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.881 0.372 . . . . 75.34 111.898 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.41 87.32 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.215 -0.448 . . . . 70.4 111.391 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 10' ' ' ILE . 99.9 mttt -64.12 -45.94 86.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.363 -0.381 . . . . 74.52 110.935 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.6 -47.0 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.036 0.446 . . . . 51.14 111.071 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.93 96.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.149 0.499 . . . . 61.02 111.24 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 32.8 tpt180 -61.04 -37.08 81.36 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.035 -0.53 . . . . 71.04 111.03 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 6' ' ' LYS . 86.0 mt -58.63 -51.24 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 120.881 0.372 . . . . 73.04 111.029 175.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -58.43 -39.47 79.87 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.015 0.436 . . . . 71.34 111.63 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.01 -47.69 79.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.112 0.482 . . . . 73.3 111.068 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.4 mt -71.01 -28.66 64.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.202 -0.453 . . . . 75.24 111.878 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.01 99.85 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 72.45 110.492 174.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.32 70.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.057 -0.52 . . . . 63.23 111.094 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -56.01 -37.38 69.09 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.018 0.437 . . . . 72.02 111.199 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -54.47 35.53 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.242 -0.435 . . . . 74.34 111.692 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -67.51 -20.88 65.49 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.862 0.363 . . . . 64.31 111.894 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.25 -17.19 35.36 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.909 0.385 . . . . 74.32 111.361 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.25 17.35 79.57 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.486 -0.387 . . . . 45.01 113.577 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -106.76 7.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 O-C-N 122.513 -0.404 . . . . 54.11 112.013 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -82.33 133.46 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 120.997 0.427 . . . . 75.12 111.826 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.1 p -76.03 155.15 35.16 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.548 -0.296 . . . . 73.4 110.808 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 4.4 mt-10 -66.14 -22.63 66.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.007 0.432 . . . . 71.42 111.434 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.81 -45.37 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.164 0.507 . . . . 73.14 110.209 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 13' ' ' LEU . 47.9 mt-10 -70.69 -28.39 64.72 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.073 -0.512 . . . . 72.31 111.158 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 56.0 mtpt -65.37 -38.07 88.92 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.009 0.433 . . . . 65.31 110.616 172.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.16 72.98 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.039 -0.528 . . . . 65.13 110.952 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.01 -53.61 55.06 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.899 -0.591 . . . . 70.32 111.535 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.8 tt0 -55.77 -39.3 71.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.581 0.229 . . . . 61.55 111.437 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.8 tt0 -57.61 -43.9 85.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.916 0.389 . . . . 63.31 111.088 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.24 -51.55 69.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.339 0.59 . . . . 63.34 111.028 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.08 -37.72 75.02 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.616 -0.72 . . . . 70.21 111.84 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 80.9 mtp180 -65.33 -36.03 82.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.713 -0.221 . . . . 73.23 111.286 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 83.1 mm-40 -63.83 -45.99 87.11 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.901 0.381 . . . . 73.13 110.387 173.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.39 -45.56 65.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.357 0.598 . . . . 64.52 110.737 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -63.27 -33.72 76.12 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.175 -0.92 . . . . 70.23 112.006 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 89.6 mt -82.83 -17.84 42.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.912 0.708 . . . . 74.14 112.912 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -60.5 115.59 3.7 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.976 -0.453 . . . . 64.12 111.156 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.76 -28.77 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 116.149 -0.478 . . . . 44.04 112.373 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -76.75 130.02 37.12 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 122.598 -0.354 . . . . 73.04 110.77 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 64.76 28.44 12.94 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.245 0.545 . . . . 63.44 111.588 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.6 t -115.92 167.33 11.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.171 -0.468 . . . . 65.43 111.37 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -77.81 95.63 4.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.977 0.417 . . . . 52.33 111.404 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 49.4 ttm -74.69 123.64 25.28 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.252 -0.431 . . . . 71.31 110.41 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -97.19 7.44 46.58 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.73 0.641 . . . . 73.02 112.73 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 47' ' ' LEU . 2.5 pt? -142.51 166.94 23.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.029 0.442 . . . . 73.45 111.419 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.258 1.522 0 CA-C-O 118.583 -0.723 . . . . 62.11 110.939 177.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.888 0.375 . . . . 74.15 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.57 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 19.3 tt -105.51 137.94 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-O 121.16 0.505 . . . . 71.55 111.944 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.402 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 96.6 p -110.68 169.09 8.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.147 -0.479 . . . . 44.1 111.102 -178.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.64 -38.86 70.11 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.785 0.326 . . . . 73.4 111.176 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.89 95.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.958 0.409 . . . . 50.55 111.203 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 96.7 mttt -62.65 -45.58 92.19 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.399 -0.364 . . . . 75.05 110.86 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.28 -51.43 69.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.131 0.491 . . . . 72.4 111.19 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.74 76.42 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.185 -0.461 . . . . 72.15 111.636 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -70.29 -39.63 74.75 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.509 -0.314 . . . . 74.24 111.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.5 mt -62.22 -42.29 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.73 0.3 . . . . 73.32 111.113 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.25 -44.02 97.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.856 0.36 . . . . 73.32 110.943 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 11.7 tp10 -58.62 -53.16 61.45 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.989 -0.551 . . . . 64.1 111.476 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -67.19 -36.52 81.93 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.844 0.313 . . . . 74.23 111.844 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -33.14 75.07 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.162 0.506 . . . . 72.33 110.818 174.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.34 74.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.173 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 59.9 mttm -58.47 -35.4 72.12 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.034 174.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.41 75.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.876 0.37 . . . . 64.43 111.233 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -67.26 -22.8 65.66 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.895 0.379 . . . . 61.51 111.624 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.0 -10.88 34.7 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 64.11 111.701 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.55 -4.35 56.43 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.4 -0.364 . . . . 72.33 113.736 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.6 m -84.95 4.87 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 N-CA-C 112.822 0.675 . . . . 75.11 112.822 -174.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.22 122.99 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 120.822 0.344 . . . . 71.1 111.125 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 81.3 p -81.16 165.78 21.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.013 0.435 . . . . 70.23 111.808 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 14.2 mm-40 -53.98 -44.58 70.92 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.102 -0.499 . . . . 73.42 111.909 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.64 -46.29 90.84 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.43 -0.35 . . . . 64.13 111.779 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 13' ' ' LEU . 67.0 mm-40 -67.18 -31.52 71.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.753 0.311 . . . . 65.21 111.56 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 57.9 mtpt -63.04 -45.6 91.51 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.093 0.473 . . . . 72.43 110.684 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.54 94.99 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.979 -0.555 . . . . 43.32 111.04 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.11 -52.75 62.62 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.112 -0.495 . . . . 74.12 111.164 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.23 -49.06 67.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.362 -0.381 . . . . 53.21 111.785 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -56.91 -40.88 77.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.303 0.573 . . . . 75.45 110.915 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -65.51 -47.9 74.38 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.666 -0.697 . . . . 73.11 111.835 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.16 -35.63 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.962 0.411 . . . . 62.23 111.198 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 83.9 mtt180 -69.71 -28.56 65.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.52 -0.309 . . . . 72.23 111.507 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 81.2 mm-40 -61.57 -42.76 99.32 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.047 0.451 . . . . 43.42 109.882 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.89 -35.41 74.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.087 -0.506 . . . . 61.32 110.932 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -70.29 -32.7 70.59 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.245 -0.434 . . . . 53.11 110.776 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 91.6 mt -76.66 -16.49 59.53 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.042 0.386 . . . . 45.0 112.042 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 31.6 mmmt -58.02 100.72 0.06 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.876 0.369 . . . . 64.45 111.071 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.95 20.08 73.93 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 121.044 -0.598 . . . . 54.1 113.02 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -89.98 147.97 23.37 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.899 0.381 . . . . 75.54 111.335 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -100.57 115.87 31.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.767 0.317 . . . . 55.41 111.58 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.7 t -164.15 147.63 9.58 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.804 0.335 . . . . 62.1 111.491 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -148.98 167.02 26.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.735 0.303 . . . . 72.21 111.113 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 mtt -113.23 130.47 56.22 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.897 0.38 . . . . 72.32 111.497 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.99 142.76 40.44 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.274 -0.421 . . . . 65.3 110.727 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 47' ' ' LEU . 1.8 pt? -131.89 136.12 47.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.326 0.584 . . . . 73.2 111.69 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.255 1.395 0 CA-C-O 118.639 -0.696 . . . . 73.02 111.206 179.598 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.154 0.502 . . . . 72.2 111.865 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.491 HG13 ' HB2' ' A' ' 6' ' ' LYS . 20.2 tt -104.92 138.75 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.457 0.54 . . . . 74.11 112.457 -174.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -122.8 -179.12 4.13 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.232 -0.44 . . . . 51.33 111.073 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -48.93 -50.19 36.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.452 0.538 . . . . 44.11 112.452 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.41 93.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.084 0.401 . . . . 60.33 112.084 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' HG13 ' A' ' 2' ' ' ILE . 98.9 mttt -63.9 -44.3 93.37 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.598 -0.274 . . . . 75.15 111.284 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.8 -55.95 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.154 0.502 . . . . 72.35 111.184 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.62 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.992 -0.549 . . . . 65.13 111.471 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 14.4 tpt180 -66.41 -40.89 89.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.718 -0.219 . . . . 74.22 111.413 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.86 -45.22 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.037 0.446 . . . . 61.44 110.662 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -63.01 -39.54 95.08 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.293 -0.412 . . . . 75.1 111.242 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.52 -57.26 13.47 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.078 0.466 . . . . 62.11 111.021 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -64.86 -33.29 75.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.732 -0.667 . . . . 70.22 111.731 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.11 86.58 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.029 0.442 . . . . 55.03 110.751 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.13 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 54.04 111.107 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 94.0 mttt -58.82 -39.45 81.25 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.238 -0.437 . . . . 73.52 111.468 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.22 80.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.926 0.393 . . . . 64.43 111.118 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -62.1 -31.02 71.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.912 -0.585 . . . . 71.44 111.053 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.52 36.26 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.254 -0.43 . . . . 51.23 111.935 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.04 83.32 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 121.517 -0.373 . . . . 53.41 113.644 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.12 -4.25 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-O 120.958 0.409 . . . . 74.34 112.004 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.709 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 14.8 tt -79.85 145.54 9.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.003 0.43 . . . . 74.31 111.611 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -95.67 151.84 18.99 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.399 -0.364 . . . . 71.13 111.022 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.82 -26.53 64.23 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.944 0.35 . . . . 74.33 111.944 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.28 -46.66 87.93 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.313 0.578 . . . . 72.25 110.763 173.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.529 ' HB3' HD22 ' A' ' 13' ' ' LEU . 38.7 mt-10 -69.49 -33.61 73.11 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.829 -0.623 . . . . 75.13 111.008 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 55.5 mtpt -63.55 -45.68 89.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.739 0.304 . . . . 72.55 110.955 177.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.7 80.43 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.143 0.497 . . . . 44.34 110.888 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.2 tp10 -61.72 -48.62 79.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.137 -0.483 . . . . 72.54 110.644 174.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.5 tt0 -55.1 -38.95 68.8 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.155 -0.475 . . . . 64.45 111.157 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 76.7 mt-30 -55.78 -53.14 60.27 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.922 0.391 . . . . 73.31 110.452 175.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -52.11 -47.23 65.41 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.181 0.515 . . . . 74.14 111.049 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.1 mt -61.75 -40.51 95.39 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.755 -0.657 . . . . 73.53 111.628 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.534 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 77.6 mtp180 -62.44 -44.69 95.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.575 0.226 . . . . 64.25 111.085 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 2.4 mp0 -63.68 -35.3 80.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.749 0.309 . . . . 75.21 111.333 176.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.84 -33.4 75.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.173 0.511 . . . . 71.23 110.619 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.402 ' HD1' HD13 ' A' ' 2' ' ' ILE . 86.9 t80 -75.09 -34.91 61.79 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.464 -0.789 . . . . 75.31 111.154 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 85.5 mt -75.56 -21.68 57.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.362 0.504 . . . . 73.42 112.362 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 68.1 mttm -58.52 91.85 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.081 0.467 . . . . 74.23 111.496 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.04 -1.87 57.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.091 -0.504 . . . . 51.43 112.967 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -85.61 152.82 22.83 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.875 0.369 . . . . 72.11 111.212 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -56.08 -35.71 67.28 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.7 1.0 . . . . 73.32 113.7 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p -83.52 85.29 7.28 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.641 -0.662 . . . . 54.15 110.876 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t -87.19 -54.4 4.33 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.36 0.504 . . . . 52.02 112.36 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt 54.63 53.88 10.03 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.859 0.837 . . . . 73.21 110.367 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -75.49 156.16 35.45 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.459 -0.792 . . . . 75.54 111.822 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.8 mp -76.12 148.92 37.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.066 0.46 . . . . 72.42 111.681 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.945 -0.55 . . . . 61.55 111.628 -179.506 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.687 0.28 . . . . 52.33 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.52 129.62 37.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.998 0.428 . . . . 74.32 111.256 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -72.89 149.36 43.54 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.093 0.473 . . . . 74.55 111.715 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.89 -20.35 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.301 -0.408 . . . . 74.0 111.395 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.65 79.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.053 0.454 . . . . 72.12 110.828 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 10' ' ' ILE . 79.5 mttt -62.05 -45.19 94.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.269 -0.423 . . . . 74.04 110.856 174.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.6 -42.59 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.31 -0.405 . . . . 71.31 111.468 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.16 91.29 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.099 0.476 . . . . 64.22 110.854 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -58.54 -39.14 79.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.868 -0.606 . . . . 74.42 110.926 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.1 mt -61.25 -47.49 93.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.51 -0.314 . . . . 74.33 111.329 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.93 -43.82 98.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.149 0.499 . . . . 71.02 111.147 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -53.88 52.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.913 -0.585 . . . . 64.34 111.429 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 ' HD2' ' A' ' 16' ' ' LYS . 83.0 mt -65.93 -28.95 69.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.8 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.85 84.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.962 0.41 . . . . 64.5 111.02 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.81 85.85 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.051 -0.522 . . . . 72.42 111.188 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HD2' HD23 ' A' ' 13' ' ' LEU . 88.9 mttt -57.51 -39.98 77.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.855 0.36 . . . . 62.24 111.438 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.92 85.47 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.359 -0.382 . . . . 61.21 111.452 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -60.64 -42.35 96.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.215 0.531 . . . . 74.42 111.02 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.67 -21.04 59.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.071 -0.513 . . . . 72.31 111.798 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.72 77.22 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 121.48 -0.391 . . . . 60.42 113.668 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.74 11.33 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.133 0.492 . . . . 71.4 111.866 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 15.0 tt -87.92 132.06 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.382 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.6 p -77.76 159.98 28.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.043 0.449 . . . . 70.04 111.556 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -56.82 -42.16 79.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.099 -0.501 . . . . 70.05 111.219 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.28 -52.45 63.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.178 -0.465 . . . . 75.21 111.51 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HB3' HD22 ' A' ' 13' ' ' LEU . 46.8 mt-10 -61.3 -35.22 76.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.216 -0.447 . . . . 71.11 111.662 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -63.71 -55.85 20.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 122.29 -0.256 . . . . 74.43 110.999 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.57 69.48 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.095 0.474 . . . . 51.41 111.201 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.0 tt0 -63.47 -52.5 61.08 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.989 -0.551 . . . . 73.45 111.086 176.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.2 tt0 -56.52 -42.92 79.22 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.566 0.222 . . . . 73.11 111.005 176.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 55.8 mt-30 -57.0 -45.93 82.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.613 0.244 . . . . 65.43 110.668 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -59.39 -46.84 87.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.901 0.381 . . . . 72.1 111.358 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 70.6 mt -59.7 -38.98 83.09 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 74.03 111.088 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 83.2 mtp180 -63.35 -37.72 88.35 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.939 0.4 . . . . 74.11 110.462 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 84.2 mm-40 -63.0 -43.24 99.32 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.009 0.433 . . . . 64.25 110.796 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.74 -29.94 70.53 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.291 -0.413 . . . . 64.42 111.229 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.02 -34.81 77.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.085 0.469 . . . . 54.43 110.722 171.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 41' ' ' PHE . 95.4 mt -77.35 -20.3 55.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.472 0.545 . . . . 64.12 112.472 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.32 104.01 0.29 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.96 0.409 . . . . 75.41 111.021 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.01 73.15 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 116.34 -0.391 . . . . 70.52 112.881 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . 72.5 t80 -80.22 95.5 6.31 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.273 0.558 . . . . 73.33 111.763 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -117.01 100.7 7.93 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.145 -0.687 . . . . 71.05 109.145 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p 61.62 -73.55 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.362 0.665 . . . . 62.32 109.615 -165.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 m 40.78 28.79 0.06 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.354 1.242 . . . . 62.12 114.354 168.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.23 108.84 15.21 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.058 -0.401 . . . . 74.44 111.654 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -127.6 105.12 8.27 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.197 0.522 . . . . 72.34 110.571 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -99.92 95.41 6.87 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.938 0.399 . . . . 61.34 110.261 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.253 1.269 0 CA-C-O 118.357 -0.83 . . . . 72.32 111.904 -179.713 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.692 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 110.435 -0.209 . . . . 51.33 110.435 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 13.2 tt -81.35 114.68 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 121.205 0.526 . . . . 72.43 111.085 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -61.71 143.9 55.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.193 -0.458 . . . . 64.22 111.237 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -53.08 -36.45 60.68 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.181 0.437 . . . . 74.5 112.181 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.05 79.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.089 0.471 . . . . 74.43 111.251 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' ' 10' ' ' ILE . 64.4 mttp -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.831 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.86 -47.8 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.073 0.463 . . . . 64.04 110.695 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.56 80.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.16 -0.473 . . . . 23.33 111.104 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -63.69 -42.31 98.01 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.102 -0.499 . . . . 71.52 110.914 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 6' ' ' LYS . 71.2 mt -58.97 -45.86 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.735 0.302 . . . . 65.31 111.035 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -59.39 -41.7 90.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.049 0.452 . . . . 52.23 111.315 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.543 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 13.1 tp10 -63.85 -52.08 61.71 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.06 -0.518 . . . . 72.34 111.536 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 26' ' ' GLU . 93.2 mt -64.22 -43.53 94.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.795 0.331 . . . . 72.43 111.393 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -58.85 -39.83 82.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.081 0.467 . . . . 62.54 110.707 176.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.82 98.04 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.016 0.436 . . . . 75.3 110.815 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 62.9 mttm -60.12 -35.89 76.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.854 0.359 . . . . 71.22 110.768 174.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -44.35 81.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.101 0.476 . . . . 74.24 111.127 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 28.0 mtpp -64.64 -26.89 68.58 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 65.11 111.083 176.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.32 -28.25 23.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.469 . . . . 61.4 111.537 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.71 7.56 61.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 116.422 -0.354 . . . . 62.41 113.422 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.12 -0.25 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 112.771 0.656 . . . . 62.22 112.771 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.453 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.0 tt -76.13 124.07 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.339 0.59 . . . . 75.21 112.286 -175.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.451 ' OG1' ' HG2' ' A' ' 26' ' ' GLU . 58.5 p -79.32 160.28 26.84 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.011 0.434 . . . . 74.1 111.88 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.7 -33.51 64.24 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.966 -0.561 . . . . 55.03 111.629 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -67.5 -48.71 66.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.294 -0.412 . . . . 72.13 110.991 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HB3' HD22 ' A' ' 13' ' ' LEU . 36.7 mm-40 -60.88 -37.8 83.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.912 0.387 . . . . 73.05 110.774 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 22' ' ' ILE . 57.2 mtpt -62.55 -40.33 96.48 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.276 -0.42 . . . . 54.42 111.461 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.74 77.02 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.917 0.389 . . . . 62.24 111.116 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 46.5 tp10 -61.3 -41.28 96.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.481 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 34' ' ' ARG . 29.2 tt0 -60.91 -38.55 86.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.361 . . . . 65.22 111.462 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 29.0 tt0 -61.59 -51.87 66.77 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.993 -0.373 . . . . 75.31 109.993 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.63 -56.79 8.76 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.522 -0.763 . . . . 70.0 111.969 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 79.4 mt -57.66 -38.97 76.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.307 -0.406 . . . . 44.42 111.414 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' ' 37' ' ' TYR . 85.7 mtm180 -70.42 -24.21 62.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.876 0.324 . . . . 64.14 111.876 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.8 mm-40 -63.1 -47.17 83.99 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.774 -0.454 . . . . 73.43 109.774 172.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' HB3' ' HB ' ' A' ' 2' ' ' ILE . 64.4 mm-40 -62.11 -41.57 98.35 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.831 -0.622 . . . . 71.43 111.117 172.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HB3' ' HA ' ' A' ' 34' ' ' ARG . 57.8 t80 -61.69 -37.62 84.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.848 -0.614 . . . . 75.14 111.619 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 91.6 mt -81.27 -78.1 0.19 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.227 0.454 . . . . 70.53 112.227 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 51.33 36.19 15.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.935 0.397 . . . . 72.4 111.551 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.44 3.76 53.24 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 121.355 -0.45 . . . . 44.32 113.665 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' HD2' ' HG2' ' A' ' 42' ' ' ARG . 76.4 t80 -53.4 -50.4 65.24 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.981 0.512 . . . . 71.13 111.557 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HG2' ' HD2' ' A' ' 41' ' ' PHE . 16.2 ptp180 -171.19 150.98 3.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.324 -0.398 . . . . 72.43 110.914 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 p -137.6 68.95 1.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.212 0.53 . . . . 43.53 111.078 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.4 p -78.2 155.92 30.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.141 -0.481 . . . . 73.13 111.393 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.609 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 88.0 mtp 63.76 9.74 4.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.141 -0.482 . . . . 52.2 112.03 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 84.0 tttt -68.29 108.52 3.23 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.75 -0.463 . . . . 62.11 109.75 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 46' ' ' LYS . 60.3 tp 76.05 -16.12 0.64 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.136 0.575 . . . . 75.42 111.792 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 38.3 mt-10 . . . . . 0 C--O 1.256 1.395 0 CA-C-O 118.707 -0.663 . . . . 70.34 111.736 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 121.079 0.466 . . . . 54.34 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.624 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 16.1 tt -112.35 141.81 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 121.268 0.556 . . . . 72.42 111.93 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -131.17 -179.84 5.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.25 -0.432 . . . . 71.1 110.901 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -55.23 -38.05 67.98 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.501 0.556 . . . . 73.01 112.501 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -50.08 74.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.63 0.252 . . . . 63.13 111.565 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.624 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 92.8 mttt -57.94 -42.96 85.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.509 0.195 . . . . 74.54 111.296 176.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.63 -47.49 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.842 0.353 . . . . 70.2 111.204 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.61 81.18 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.116 0.484 . . . . 72.32 111.037 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.63 -42.47 98.15 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.984 -0.553 . . . . 75.22 111.213 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 6' ' ' LYS . 73.2 mt -60.07 -48.97 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.702 0.287 . . . . 60.15 111.14 177.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -59.9 -40.37 88.56 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.827 0.346 . . . . 73.44 111.521 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.68 -52.22 65.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.139 0.495 . . . . 60.41 111.191 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 26' ' ' GLU . 95.0 mt -63.26 -32.22 73.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.327 -0.397 . . . . 72.32 111.477 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -63.94 -45.97 86.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.013 0.435 . . . . 71.54 110.778 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.7 98.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.211 -0.449 . . . . 64.51 111.053 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HD2' HD23 ' A' ' 13' ' ' LEU . 65.8 mttm -58.64 -37.94 77.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.889 0.376 . . . . 74.41 111.265 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.51 88.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.375 -0.375 . . . . 73.25 111.288 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 mtpm? -63.36 -42.17 98.87 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.17 0.51 . . . . 73.45 111.076 176.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.39 56.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.732 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.05 46.81 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.334 -0.46 . . . . 64.4 113.189 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.08 -0.2 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 112.464 0.542 . . . . 70.43 112.464 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 tt -82.75 133.34 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.015 0.376 . . . . 70.23 112.015 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 p -85.65 168.66 14.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.255 0.55 . . . . 65.04 112.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.4 -31.55 72.71 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.026 -0.534 . . . . 51.34 111.894 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.35 -45.54 76.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.996 0.427 . . . . 72.11 111.004 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 13' ' ' LEU . 8.3 mm-40 -61.36 -42.91 99.47 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.202 0.525 . . . . 75.23 110.643 175.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.57 -41.85 91.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 63.2 111.283 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . -59.34 -42.83 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.345 -0.389 . . . . 71.1 110.917 176.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -63.38 -45.8 89.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.403 -0.362 . . . . 75.24 110.819 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 35.4 tt0 -53.8 -46.01 70.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.908 0.385 . . . . 72.2 110.818 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -53.48 -52.8 58.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.074 0.464 . . . . 71.35 111.222 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 28' ' ' ALA . 88.6 mttt -58.56 -43.53 89.38 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.861 -0.608 . . . . 61.44 111.597 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.28 -38.69 91.93 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.294 -0.412 . . . . 65.44 111.165 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 62.4 mtp85 -65.64 -35.49 80.95 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.318 -0.401 . . . . 74.34 111.135 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 30.4 mm-40 -64.64 -41.14 96.35 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.872 0.368 . . . . 72.13 110.314 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.25 -36.81 81.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.277 -0.42 . . . . 70.11 110.957 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 85.0 t80 -66.61 -32.48 73.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.118 -0.492 . . . . 52.53 111.122 176.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.3 mt -76.79 -23.24 52.87 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.397 -0.365 . . . . 62.15 111.841 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 32.2 mmmt -56.53 106.85 0.32 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.011 0.434 . . . . 74.42 111.383 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.29 54.63 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.205 -0.521 . . . . 64.35 113.392 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 82.8 t80 -66.94 -46.67 74.03 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 117.15 0.475 . . . . 63.4 111.013 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -107.96 178.56 4.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.411 -0.359 . . . . 72.22 111.078 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -80.75 131.15 35.4 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.066 0.46 . . . . 65.53 111.896 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.4 m -96.48 97.01 9.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.058 0.456 . . . . 74.42 110.698 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.9 mmt -92.1 138.45 31.52 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.453 0.538 . . . . 75.03 112.453 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -85.61 5.01 33.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.065 -0.516 . . . . 65.34 110.831 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 47' ' ' LEU . 1.3 pt? -119.71 152.31 37.37 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.775 -0.648 . . . . 61.31 110.41 177.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.348 -0.834 . . . . 74.01 112.181 -175.327 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.703 0.287 . . . . 70.41 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.569 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 18.5 tt -92.33 122.07 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-O 121.422 0.629 . . . . 71.14 112.57 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -99.06 168.05 10.33 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.961 -0.563 . . . . 71.45 110.98 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -59.32 -30.78 68.6 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.177 0.436 . . . . 70.53 112.177 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.97 93.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 53.33 111.206 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 98.8 mttt -66.52 -43.58 84.84 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.253 -0.43 . . . . 74.43 110.66 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.68 -45.74 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.098 0.475 . . . . 75.45 111.01 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.07 85.94 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.2 -0.454 . . . . 40.11 111.541 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 23.1 tpt180 -62.8 -41.76 99.42 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.461 -0.336 . . . . 75.41 111.021 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 6' ' ' LYS . 67.5 mt -58.26 -52.81 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.564 0.221 . . . . 73.53 111.532 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -55.82 -42.02 75.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.85 0.357 . . . . 62.32 111.354 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' HG2' ' HE2' ' A' ' 16' ' ' LYS . 36.6 tt0 -61.84 -47.0 87.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.973 0.416 . . . . 71.31 111.222 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 68.5 mt -63.75 -29.56 70.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.451 -0.341 . . . . 75.31 111.285 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.15 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.221 0.534 . . . . 73.13 110.792 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -48.91 60.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.083 0.468 . . . . 24.14 110.725 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HD2' HD23 ' A' ' 13' ' ' LEU . 67.9 mttm -57.89 -36.53 72.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.96 -0.563 . . . . 55.13 111.717 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.67 64.58 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.993 0.425 . . . . 71.4 111.102 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -61.22 -40.41 93.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.426 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.55 60.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.946 0.35 . . . . 71.33 111.946 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.54 5.23 89.69 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 121.288 -0.482 . . . . 64.33 113.379 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.48 12.93 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.271 0.471 . . . . 44.13 112.271 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -81.62 129.97 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.922 0.391 . . . . 73.42 111.404 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.486 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 66.4 p -81.79 164.77 21.44 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.14 0.495 . . . . 74.12 112.121 -178.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.44 -42.81 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.824 -0.626 . . . . 63.0 111.199 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.58 -47.31 86.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.792 -0.64 . . . . 70.51 111.276 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CD ' HH21 ' A' ' 9' ' ' ARG . 71.6 mm-40 -64.4 -31.62 72.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.539 -0.3 . . . . 74.23 111.654 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 23' ' ' THR . 99.5 mttt -64.98 -48.47 73.91 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.018 0.437 . . . . 62.32 111.063 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.42 91.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.138 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.77 -36.19 83.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.268 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.39 -47.82 80.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.016 0.436 . . . . 64.44 110.679 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.9 mt-30 -60.82 -50.06 74.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.016 -0.538 . . . . 55.02 110.588 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -52.66 -44.26 66.04 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.357 -0.838 . . . . 63.32 111.864 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.81 -41.56 91.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.918 0.389 . . . . 74.43 111.369 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 18.0 mtp180 -66.12 -28.23 68.65 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.527 -0.306 . . . . 64.03 111.643 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.7 mm-40 -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.091 0.472 . . . . 63.35 109.855 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.89 -37.18 76.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.78 -0.645 . . . . 74.13 111.211 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -69.76 -28.22 65.59 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.146 -0.479 . . . . 53.22 111.304 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 93.0 mt -82.2 -17.63 45.49 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.069 0.396 . . . . 71.13 112.069 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -57.74 95.78 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.927 0.394 . . . . 73.4 111.398 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.18 2.14 71.47 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.352 -0.452 . . . . 73.42 113.604 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.9 110.66 21.9 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.464 -0.433 . . . . 75.11 111.227 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -161.33 178.35 9.28 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.019 0.437 . . . . 61.12 111.818 -177.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -108.54 122.29 46.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.357 -0.383 . . . . 62.24 110.59 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.6 m -147.61 152.61 38.2 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.872 0.368 . . . . 71.44 111.737 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -81.51 157.88 24.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.0 0.429 . . . . 54.23 111.47 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -77.6 89.4 3.91 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.104 0.478 . . . . 74.43 111.781 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.69 94.52 8.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.395 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.253 1.267 0 CA-C-N 116.155 -0.475 . . . . 65.43 112.031 -178.302 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptp . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.463 0.173 . . . . 72.03 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.673 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 13.6 tt -154.93 114.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.377 0.608 . . . . 71.42 112.265 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -107.49 -176.83 3.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.173 -0.467 . . . . 53.02 111.367 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.62 -39.1 64.67 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.267 0.839 . . . . 71.53 113.267 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.79 84.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.088 0.47 . . . . 74.13 111.907 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.673 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 56.0 mttp -70.2 -39.05 75.41 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.875 0.369 . . . . 72.51 111.218 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.36 -47.59 91.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.896 0.379 . . . . 71.12 110.947 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.4 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.159 0.504 . . . . 74.53 111.092 175.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 24.4 tpt180 -61.79 -49.09 77.76 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.399 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 6' ' ' LYS . 69.4 mt -57.25 -47.69 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.555 -0.293 . . . . 75.13 111.168 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -55.29 -51.2 67.43 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.948 0.404 . . . . 74.42 111.47 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.4 tp10 -56.94 -49.31 76.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.082 0.467 . . . . 64.44 110.656 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.5 mt -62.55 -32.49 73.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.14 -0.482 . . . . 72.51 111.675 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.87 94.89 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.161 0.505 . . . . 70.13 111.182 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.33 76.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.139 -0.482 . . . . 65.14 111.093 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.9 mtpm? -59.04 -35.69 73.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.115 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.27 38.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.406 -0.361 . . . . 52.01 111.368 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -60.52 -31.56 70.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.956 0.408 . . . . 74.43 111.679 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.98 -12.93 58.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 111.898 0.333 . . . . 73.04 111.898 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.18 -1.54 88.52 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.298 -0.477 . . . . 72.23 113.12 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.69 28.46 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-O 121.404 0.621 . . . . 75.31 112.044 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.18 135.18 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 120.872 0.367 . . . . 72.03 110.791 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.486 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 31.9 p -84.76 161.12 20.11 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.101 0.476 . . . . 74.23 111.41 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.25 -34.78 74.19 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.103 -0.498 . . . . 73.25 111.17 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.26 -47.35 73.99 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 60.25 110.962 175.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB3' HD22 ' A' ' 13' ' ' LEU . 52.1 mt-10 -57.36 -41.06 79.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.924 0.392 . . . . 73.34 111.388 176.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 53.4 mtpt -61.63 -47.46 85.33 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.465 -0.334 . . . . 74.22 110.946 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.98 84.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.948 0.404 . . . . 65.31 111.305 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -61.34 -47.4 86.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.946 -0.57 . . . . 53.24 111.218 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' HG2' ' HD2' ' A' ' 34' ' ' ARG . 27.4 tt0 -55.69 -50.69 69.6 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.264 -0.425 . . . . 74.34 111.006 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 13.3 mm100 -55.29 -41.9 72.93 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.203 0.525 . . . . 74.2 111.089 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -59.93 -51.0 71.58 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.9 -0.591 . . . . 74.54 111.002 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.01 -30.97 71.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.991 -0.55 . . . . 75.23 111.844 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 30' ' ' GLN . 62.9 mtp180 -65.34 -43.4 91.03 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.833 0.349 . . . . 75.32 111.056 176.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.86 -36.37 84.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.995 0.426 . . . . 64.13 110.966 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.3 -39.85 85.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.45 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.14 -42.23 80.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.705 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 96.7 mt -80.22 -61.05 2.1 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.088 0.403 . . . . 73.4 112.088 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 61.23 86.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.061 0.458 . . . . 73.12 111.807 -173.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.97 -34.59 3.71 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 120.855 -0.688 . . . . 65.23 114.242 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' HB2' ' HB3' ' A' ' 38' ' ' LEU . 22.2 m-85 -56.81 130.31 45.1 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 117.108 0.454 . . . . 74.11 112.049 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 48.1 mtt85 72.06 -56.97 0.63 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.057 0.762 . . . . 70.32 113.057 177.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.4 p -61.6 -33.41 73.85 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.068 -0.395 . . . . 74.1 111.588 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t 59.42 18.61 6.98 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.666 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.4 tpt -70.25 126.81 30.72 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.36 -0.382 . . . . 74.52 111.463 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.2 mptt -84.88 42.62 0.94 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.836 0.351 . . . . 65.33 111.627 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -70.27 84.69 0.56 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.394 0.616 . . . . 55.3 110.529 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.255 1.371 0 CA-C-O 118.696 -0.669 . . . . 54.53 111.418 -174.569 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.858 0.361 . . . . 71.33 111.517 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 9.8 tp -67.25 147.81 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-O 121.175 0.512 . . . . 73.2 112.021 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.428 ' H ' ' HB2' ' A' ' 6' ' ' LYS . 86.9 p -136.59 165.13 26.6 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.33 -0.395 . . . . 71.03 110.433 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.71 -35.64 76.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.111 0.481 . . . . 54.5 110.512 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.65 96.46 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.125 -0.489 . . . . 62.14 111.196 174.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HB2' ' H ' ' A' ' 3' ' ' SER . 67.9 mttm -62.15 -44.32 96.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.512 -0.313 . . . . 72.24 111.302 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.91 -42.39 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.95 0.405 . . . . 73.35 110.684 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.25 85.91 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.05 0.452 . . . . 73.4 110.915 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -63.64 -35.51 80.78 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.215 -0.448 . . . . 75.45 111.043 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.54 -55.97 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 120.607 0.242 . . . . 74.1 111.116 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -55.52 -36.94 67.27 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.946 0.403 . . . . 55.43 111.225 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 10.4 tp10 -65.77 -63.29 1.12 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.007 -0.542 . . . . 73.22 111.248 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 26' ' ' GLU . 75.4 mt -57.09 -39.45 75.04 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.279 0.474 . . . . 71.34 112.279 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.225 0.536 . . . . 72.52 110.908 176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.16 96.82 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.105 -0.498 . . . . 42.4 110.963 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HD2' ' HG3' ' A' ' 12' ' ' GLU . 7.6 mtpm? -63.85 -31.78 73.07 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.137 -0.483 . . . . 64.44 111.104 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -41.83 73.23 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.905 0.383 . . . . 73.34 110.724 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -59.94 -43.12 95.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.069 -0.514 . . . . 74.44 111.171 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.97 -10.95 59.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.132 -0.485 . . . . 74.2 112.191 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.33 18.21 80.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.232 -0.508 . . . . 53.52 113.458 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -103.44 23.99 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.245 0.545 . . . . 74.02 111.778 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -99.07 132.08 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 120.978 0.418 . . . . 74.24 111.115 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.7 p -91.54 166.51 12.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.867 0.365 . . . . 64.31 111.96 -178.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -52.93 -46.31 68.03 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.308 -0.405 . . . . 73.31 111.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.6 -48.22 81.69 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.31 -0.404 . . . . 74.35 110.729 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.4 mt-10 -61.92 -40.23 94.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.352 -0.385 . . . . 75.54 111.833 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 23' ' ' THR . 59.4 mtpt -61.13 -39.41 89.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.947 0.403 . . . . 71.34 110.73 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.59 92.86 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.13 111.252 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 18.8 tp10 -66.92 -41.33 87.24 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.688 -0.233 . . . . 75.42 111.303 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.53 ' HA ' HD12 ' A' ' 33' ' ' LEU . 10.0 tt0 -57.68 -39.56 77.41 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.098 0.475 . . . . 74.32 111.283 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.46 -53.28 59.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.498 0.666 . . . . 73.2 109.989 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -56.76 -35.76 69.01 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.136 -0.938 . . . . 71.21 111.946 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 30' ' ' GLN . 92.3 mt -67.35 -44.71 78.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.064 0.459 . . . . 73.13 111.601 177.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -67.66 -36.12 80.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.297 -0.411 . . . . 73.11 111.505 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.85 -31.48 72.51 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.059 0.456 . . . . 74.41 111.035 171.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.38 -41.19 69.99 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.13 0.49 . . . . 73.15 110.973 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.72 -34.11 77.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.777 -0.647 . . . . 61.42 111.298 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 43' ' ' SER . 95.6 mt -87.26 -59.51 2.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.178 -0.465 . . . . 63.04 111.891 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER 56.57 61.94 2.48 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.374 0.607 . . . . 73.42 111.134 -174.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.75 -28.53 13.74 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 116.162 -0.472 . . . . 74.44 113.539 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.01 161.09 27.41 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.501 0.651 . . . . 73.42 111.964 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -94.93 129.63 41.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.092 -0.503 . . . . 74.25 111.932 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 38' ' ' LEU . 60.4 p -89.89 68.77 7.43 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.114 0.483 . . . . 64.14 111.021 176.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 p -91.12 111.27 22.67 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.077 -0.51 . . . . 43.13 111.252 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.7 mmt -92.8 155.31 17.73 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.25 0.548 . . . . 73.23 112.443 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -84.81 -6.27 59.35 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.132 0.492 . . . . 63.3 111.4 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 48' ' ' GLU . 1.9 tm? -85.93 137.22 32.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.287 -0.415 . . . . 64.43 110.39 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.519 ' N ' HD13 ' A' ' 47' ' ' LEU . 39.8 mt-10 . . . . . 0 C--O 1.253 1.284 0 CA-C-O 118.788 -0.625 . . . . 63.24 112.555 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.546 0.212 . . . . 60.42 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG21 ' HA ' ' A' ' 37' ' ' TYR . 16.2 tt -89.96 144.37 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.012 0.434 . . . . 72.45 112.013 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -108.67 163.55 13.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.323 -0.398 . . . . 73.0 111.519 176.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.81 -41.69 64.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 64.13 111.841 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.7 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.873 0.368 . . . . 72.35 111.471 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.59 -32.34 73.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.59 0.233 . . . . 75.02 111.577 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.87 -43.01 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.232 0.539 . . . . 70.14 110.453 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.82 88.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.143 0.497 . . . . 62.42 110.692 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.9 tpt180 -60.03 -41.56 92.48 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.893 -0.594 . . . . 75.51 110.857 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.71 -47.81 91.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.632 -0.258 . . . . 74.3 111.26 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -57.22 -45.5 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.644 0.259 . . . . 73.1 111.365 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -58.34 -52.74 64.34 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.014 0.435 . . . . 74.42 111.387 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.1 mt -64.21 -27.91 69.38 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.333 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.01 77.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.133 0.492 . . . . 72.22 110.854 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.36 86.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.182 0.515 . . . . 71.01 110.461 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 13' ' ' LEU . 67.4 mttm -58.82 -44.26 90.82 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.075 -0.511 . . . . 73.35 111.199 175.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.43 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.923 0.392 . . . . 72.4 111.228 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -61.46 -31.47 71.43 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.998 0.428 . . . . 62.21 111.208 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.6 -12.11 40.72 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.381 -0.372 . . . . 43.51 111.894 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.44 0.98 80.79 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.477 -0.392 . . . . 74.14 113.651 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 m -88.94 9.43 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 112.219 0.452 . . . . 65.04 112.219 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -80.52 135.91 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.888 0.375 . . . . 73.12 111.181 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 29.8 p -82.94 161.33 21.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.106 0.479 . . . . 65.25 111.229 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.7 -35.74 75.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.15 0.5 . . . . 71.01 111.314 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.1 -44.72 79.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.954 -0.567 . . . . 71.51 110.965 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HD22 ' A' ' 13' ' ' LEU . 61.6 mt-10 -64.03 -33.96 76.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.981 0.42 . . . . 75.21 111.152 176.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 23' ' ' THR . 9.8 mtpm? -62.93 -44.93 94.75 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.45 -0.341 . . . . 73.44 110.79 174.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.03 90.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.157 0.503 . . . . 64.01 110.781 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.34 -51.98 66.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.901 -0.59 . . . . 73.1 111.289 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 36.6 tt0 -54.09 -49.51 68.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.508 -0.315 . . . . 72.3 111.49 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.34 -47.47 83.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.844 0.354 . . . . 64.43 110.868 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.71 -50.65 69.74 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.366 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.83 -30.3 71.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.597 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.0 mtp85 -64.8 -41.14 96.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 61.1 111.518 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.22 -43.3 95.38 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 122.081 -0.387 . . . . 71.33 110.838 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.95 -31.14 71.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 63.44 111.327 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' HA ' HG21 ' A' ' 2' ' ' ILE . 87.5 t80 -68.65 -36.88 79.17 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.12 -0.491 . . . . 74.02 111.172 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 89.1 mt -68.59 -30.15 68.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.901 0.382 . . . . 72.43 111.401 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.18 96.29 0.15 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.095 0.474 . . . . 62.22 111.466 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.35 -3.55 43.6 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.146 -0.549 . . . . 61.32 113.017 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -94.96 152.75 18.07 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.44 0.296 . . . . 64.14 110.624 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.79 -4.87 0.77 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.805 1.039 . . . . 55.2 113.805 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 t -68.28 104.2 1.79 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.023 0.44 . . . . 72.14 111.462 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.2 p -71.62 89.23 0.98 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.185 -0.461 . . . . 65.04 111.028 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 94.0 mmm -85.14 -44.01 13.34 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.948 0.404 . . . . 72.14 111.612 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD2' ' HG3' ' A' ' 48' ' ' GLU . 3.2 tmtp? -92.8 90.08 6.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.007 0.432 . . . . 63.43 110.102 178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -79.74 116.35 19.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.012 0.434 . . . . 73.51 111.85 -177.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HG3' ' HD2' ' A' ' 46' ' ' LYS . 54.8 mt-10 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.584 -0.722 . . . . 75.34 110.913 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.601 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.841 0.353 . . . . 72.23 111.022 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.596 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 18.2 tt -93.74 152.13 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 112.731 0.641 . . . . 70.14 112.731 -173.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -132.87 171.14 14.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.617 -0.72 . . . . 71.43 110.245 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -54.22 -37.56 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 111.712 0.264 . . . . 75.2 111.712 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.94 91.17 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 64.02 111.452 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.596 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 98.4 mttt -68.68 -39.14 80.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.185 -0.461 . . . . 54.35 111.155 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.88 -44.18 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 121.093 0.473 . . . . 74.11 110.677 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.95 75.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.227 -0.442 . . . . 50.31 111.192 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.08 -44.83 87.64 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.244 -0.434 . . . . 72.31 111.034 176.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.54 -45.74 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 120.816 0.341 . . . . 73.42 111.211 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.78 -42.53 89.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.309 0.576 . . . . 72.44 111.189 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 34.7 tt0 -60.84 -60.72 3.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.821 -0.627 . . . . 72.43 111.534 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 26' ' ' GLU . 81.5 mt -61.6 -28.95 69.72 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.926 -0.579 . . . . 74.53 111.793 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.07 90.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.054 0.454 . . . . 74.22 110.793 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.25 79.21 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.935 0.398 . . . . 64.11 110.914 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.4 mtpm? -58.82 -32.67 69.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.265 -0.425 . . . . 73.21 110.802 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.66 74.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.295 -0.411 . . . . 73.35 111.387 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -70.02 -27.14 64.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.736 0.303 . . . . 62.52 111.346 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.42 -14.03 33.72 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 120.885 0.374 . . . . 60.14 111.838 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.96 -8.47 73.04 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.231 -0.509 . . . . 60.34 113.317 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 34.6 m -83.34 27.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 N-CA-C 112.196 0.443 . . . . 63.3 112.196 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.81 127.27 58.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.8 0.333 . . . . 74.24 110.79 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 32.2 p -74.82 161.93 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.911 -0.493 . . . . 71.4 111.454 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.29 -34.77 72.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.261 0.553 . . . . 72.34 110.838 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.19 -42.66 68.73 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.906 -0.588 . . . . 73.52 111.25 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.6 mt-10 -61.52 -35.45 77.76 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.662 0.267 . . . . 73.4 111.02 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 23' ' ' THR . 58.6 mtpt -63.24 -37.49 87.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.799 0.333 . . . . 74.51 110.811 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.69 -38.25 76.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.333 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -64.98 -46.38 81.73 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.106 0.479 . . . . 73.1 110.251 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -55.91 -49.92 72.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.078 -0.51 . . . . 75.4 110.219 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -49.59 -60.89 2.46 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.76 -0.655 . . . . 73.14 111.374 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -47.82 -46.72 31.13 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.138 0.575 . . . . 65.43 111.799 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.58 -25.56 59.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.081 -0.509 . . . . 53.31 112.351 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 58.9 mtp180 -68.67 -37.98 80.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.019 -0.426 . . . . 64.23 110.805 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 mp0 -59.64 -45.68 91.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.93 -0.396 . . . . 53.03 109.93 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 6.0 mm-40 -54.24 -40.08 67.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.002 0.429 . . . . 64.12 111.21 173.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.8 -31.67 71.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.04 -0.527 . . . . 74.43 111.409 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.38 -12.63 48.72 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.418 0.525 . . . . 41.43 112.418 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 33.4 mmtp -56.39 92.42 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.009 0.433 . . . . 71.0 111.287 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.46 14.98 81.87 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 121.08 -0.581 . . . . 73.44 113.452 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.18 -52.85 63.93 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.284 0.564 . . . . 63.24 110.486 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -110.73 156.27 21.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 73.35 109.803 170.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 t 64.05 27.66 14.21 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.008 0.432 . . . . 72.34 110.57 -173.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.8 p -49.46 116.87 1.91 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.862 -0.608 . . . . 33.22 111.304 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.6 tpt -70.11 104.97 2.74 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.491 0.552 . . . . 73.34 112.491 -171.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -126.82 -178.33 4.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.073 -0.512 . . . . 74.51 110.036 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.17 115.61 13.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.881 0.372 . . . . 73.12 111.298 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.677 -0.678 . . . . 74.14 110.451 -179.665 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 120.772 0.32 . . . . 74.2 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 6' ' ' LYS . 14.3 tt -70.47 140.46 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-O 120.924 0.392 . . . . 53.45 111.221 174.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -111.43 168.2 9.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.994 0.426 . . . . 64.32 111.461 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.88 -25.75 44.04 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.739 0.644 . . . . 63.22 112.739 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.43 85.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.049 0.452 . . . . 53.42 111.723 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HB2' HG13 ' A' ' 2' ' ' ILE . 64.0 mttp -71.91 -40.36 68.88 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.432 -0.349 . . . . 52.44 111.386 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.5 mt -54.88 -46.65 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 121.063 0.459 . . . . 62.23 111.097 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.26 90.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.857 0.361 . . . . 60.25 111.302 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.84 -31.83 71.93 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.617 0.229 . . . . 73.13 111.617 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.43 -49.7 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 120.839 0.352 . . . . 72.51 110.383 173.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -61.32 -39.08 89.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.232 -0.44 . . . . 72.35 111.329 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -54.57 -54.31 42.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.519 0.676 . . . . 71.23 110.899 173.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 16' ' ' LYS . 84.0 mt -72.27 -22.15 61.26 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.735 -0.666 . . . . 61.02 111.69 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.08 -43.77 67.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.918 0.39 . . . . 53.54 110.93 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.9 77.28 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.213 0.53 . . . . 72.21 110.33 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 52.5 mttm -55.51 -45.2 77.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.753 -0.658 . . . . 75.23 111.802 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.2 94.09 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.36 -0.382 . . . . 43.13 111.985 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -72.77 -40.04 66.28 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.768 0.318 . . . . 74.43 111.748 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.27 61.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.003 0.43 . . . . 61.34 111.752 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.3 86.43 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.294 -0.479 . . . . 64.32 113.448 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.11 20.95 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 120.963 0.411 . . . . 55.55 111.75 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 18.0 tt -104.3 133.48 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.078 0.466 . . . . 75.42 111.518 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p -93.02 165.24 12.95 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.985 0.421 . . . . 74.31 111.825 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.67 -30.42 67.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.318 -0.401 . . . . 70.22 111.826 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.17 -50.32 48.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.352 . . . . 64.54 111.14 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.7 -38.31 78.01 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.321 0.582 . . . . 70.01 110.599 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG3' HG12 ' A' ' 22' ' ' ILE . 58.3 mtpt -64.27 -35.59 81.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.976 -0.556 . . . . 71.55 111.087 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.3 93.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.368 -0.378 . . . . 41.43 111.094 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.0 tt0 -67.32 -37.77 83.85 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.629 -0.259 . . . . 74.51 110.408 175.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.69 -41.07 69.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.307 0.575 . . . . 75.11 110.453 172.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 61.8 tt0 -63.77 -47.99 78.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.101 -0.5 . . . . 71.21 110.686 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.69 -46.86 70.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.934 -0.575 . . . . 74.01 111.438 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 65.5 mt -63.17 -43.07 99.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.991 -0.55 . . . . 70.22 111.151 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 31' ' ' GLN . 91.0 mtm180 -64.49 -29.9 70.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.187 -0.46 . . . . 74.45 111.759 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 87.9 mm-40 -61.35 -54.1 48.14 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.852 0.358 . . . . 71.11 110.227 173.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -53.66 -39.2 64.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.496 0.665 . . . . 70.04 110.897 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 83.4 t80 -65.89 -35.23 80.07 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.309 -0.859 . . . . 62.4 111.857 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.97 -3.13 56.28 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.909 0.707 . . . . 74.22 112.909 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 2.7 mmmp? -60.14 91.22 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.043 0.449 . . . . 72.22 111.198 176.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.8 20.82 78.92 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 121.041 -0.6 . . . . 61.25 113.728 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 79.3 t80 -72.12 -56.93 4.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.012 0.434 . . . . 75.33 111.74 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.77 -66.9 0.61 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.349 -0.387 . . . . 75.53 111.06 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 p -84.0 93.18 8.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.421 0.629 . . . . 71.32 110.71 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 p -74.33 152.96 39.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.82 -0.627 . . . . 73.51 112.292 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.533 ' SD ' ' N ' ' A' ' 45' ' ' MET . 1.3 mpt? -73.26 -36.35 66.36 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.005 -0.543 . . . . 65.13 111.597 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? 60.67 91.89 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.114 -0.494 . . . . 72.03 110.809 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 tt -173.7 107.42 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.053 -0.521 . . . . 73.12 109.964 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 119.074 -0.489 . . . . 72.2 111.742 179.581 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.695 0.283 . . . . 75.5 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 3' ' ' SER . 10.6 tp -83.98 154.97 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.644 0.735 . . . . 75.3 112.558 -174.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 2' ' ' ILE . 98.3 p -145.12 155.94 43.6 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.53 -0.759 . . . . 71.04 109.394 175.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.5 -34.9 65.03 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.892 0.377 . . . . 74.11 111.67 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.06 97.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.877 0.37 . . . . 75.42 110.856 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.89 -37.76 88.72 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.405 -0.361 . . . . 71.54 111.348 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.15 -46.55 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 120.939 0.4 . . . . 73.01 111.27 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.89 -46.08 82.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.06 0.457 . . . . 52.31 110.783 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -59.04 -42.24 89.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.957 -0.565 . . . . 73.41 111.534 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.89 -45.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.695 0.283 . . . . 71.25 111.293 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -68.08 -32.93 73.61 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 111.821 0.304 . . . . 72.24 111.821 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.24 -50.54 71.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.089 0.471 . . . . 75.45 110.785 175.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' HB3' HE21 ' A' ' 30' ' ' GLN . 82.4 mt -66.77 -40.79 88.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.029 -0.532 . . . . 72.54 111.008 177.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.18 84.01 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.314 -0.403 . . . . 61.3 111.128 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.38 74.46 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.216 0.532 . . . . 54.11 111.073 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.0 -36.7 80.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.246 -0.434 . . . . 74.52 111.068 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.49 -33.97 62.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.303 -0.408 . . . . 73.11 111.556 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -68.36 -38.56 81.53 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.859 0.362 . . . . 74.32 110.783 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -47.79 48.71 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.981 0.419 . . . . 74.31 110.984 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.12 34.52 2.94 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.197 -0.456 . . . . 61.53 113.131 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.94 -7.97 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 122.359 -0.494 . . . . 74.22 112.173 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.54 140.01 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 112.629 0.603 . . . . 73.15 112.629 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.8 p -95.2 163.67 13.18 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.357 -0.383 . . . . 33.32 111.854 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.25 -34.78 74.17 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.2 -50.12 74.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.101 0.477 . . . . 73.12 110.776 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.93 -35.85 81.47 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.091 -0.504 . . . . 53.41 111.074 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.17 -30.28 68.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.632 -0.258 . . . . 73.21 111.663 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.39 70.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.301 0.572 . . . . 73.43 110.419 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.05 -50.4 73.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.576 -0.738 . . . . 74.11 110.669 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.488 HE21 ' HB3' ' A' ' 13' ' ' LEU . 6.9 tt0 -53.57 -44.34 69.24 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.973 -0.558 . . . . 63.32 111.506 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 30.1 tt0 -58.34 -52.41 65.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.363 -0.381 . . . . 34.3 110.87 177.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.99 -47.07 84.11 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.128 -0.487 . . . . 71.12 111.831 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 99.2 mt -65.03 -37.26 87.01 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.5 -0.318 . . . . 74.02 111.659 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 87.6 mtt180 -65.89 -35.57 81.01 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 121.258 -0.177 . . . . 73.42 111.271 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 81.1 mm-40 -61.25 -44.24 97.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.976 0.417 . . . . 71.42 110.18 174.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.4 mm-40 -51.23 -42.79 61.22 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.414 0.626 . . . . 74.13 110.76 172.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -69.82 -36.77 75.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.289 -0.869 . . . . 64.32 111.339 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 96.6 mt -77.94 -9.17 58.96 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.162 -0.472 . . . . 45.13 112.255 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 32.2 mmmt -57.97 99.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.006 0.432 . . . . 75.22 110.942 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.14 19.87 40.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.422 -0.418 . . . . 65.4 113.104 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -72.92 115.38 12.16 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 122.597 -0.355 . . . . 53.13 111.478 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 57.68 28.49 15.87 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.888 0.699 . . . . 72.44 112.888 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p 70.4 -48.53 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.206 1.002 . . . . 42.11 113.417 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -69.29 97.95 1.0 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.118 0.414 . . . . 72.21 112.118 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.88 -33.55 17.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.282 -0.417 . . . . 63.21 110.924 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 61.58 22.74 13.16 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.983 0.513 . . . . 71.53 112.052 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.09 147.91 23.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.362 -0.381 . . . . 72.3 110.867 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.474 -0.774 . . . . 73.13 111.603 177.437 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 112.044 0.387 . . . . 70.12 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -98.08 124.16 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.116 0.484 . . . . 72.12 111.005 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -80.15 147.87 31.16 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.828 0.347 . . . . 61.24 111.651 177.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.66 -20.2 45.91 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.85 0.357 . . . . 73.24 110.947 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.6 99.74 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.945 172.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 10' ' ' ILE . 67.8 mttm -66.78 -36.8 83.24 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.896 0.379 . . . . 61.43 110.683 176.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.19 -43.32 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.063 0.459 . . . . 63.11 110.402 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.57 86.39 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.076 -0.511 . . . . 64.05 110.776 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.8 tpt180 -61.95 -41.16 97.66 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.954 175.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.2 mt -55.94 -44.95 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.761 0.315 . . . . 75.31 110.843 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -66.69 -40.0 88.33 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.99 0.424 . . . . 63.1 111.152 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.1 -48.62 75.82 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.488 0.661 . . . . 71.34 110.661 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 26' ' ' GLU . 72.4 mt -72.16 -29.82 64.4 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.65 -0.704 . . . . 74.52 111.308 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.9 99.64 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 70.42 110.458 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.24 74.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.048 0.452 . . . . 64.31 110.848 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -57.68 -35.1 70.13 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.587 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.9 79.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.954 0.407 . . . . 65.4 111.365 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -65.93 -41.85 90.82 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.457 -0.338 . . . . 71.35 111.009 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.32 -29.07 59.9 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.939 0.4 . . . . 43.11 111.759 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.42 63.62 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.598 -0.274 . . . . 52.21 113.405 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.93 15.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 112.248 0.462 . . . . 73.13 112.248 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.74 128.4 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-O 121.205 0.526 . . . . 73.12 111.755 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.9 p -87.15 168.06 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.906 0.384 . . . . 73.25 111.693 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.93 -42.98 95.16 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.339 -0.391 . . . . 73.14 111.528 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.83 -42.98 98.81 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.117 0.484 . . . . 75.35 110.95 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HB3' HD22 ' A' ' 13' ' ' LEU . 14.3 mm-40 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.109 -0.496 . . . . 62.24 111.122 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' THR . 54.3 mtpt -62.89 -44.14 96.89 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.884 0.373 . . . . 71.25 111.573 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.56 83.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.993 0.425 . . . . 71.04 111.333 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 tt0 -67.02 -42.89 84.16 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.33 -0.395 . . . . 72.44 111.011 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.5 tt0 -51.89 -49.88 62.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.972 0.415 . . . . 55.54 111.067 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.1 tt0 -58.67 -48.7 80.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.308 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.51 -36.48 83.9 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 120.801 0.334 . . . . 70.34 111.536 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 85.2 mt -65.09 -39.56 93.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.014 0.435 . . . . 61.55 110.797 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 70.9 mtp85 -62.92 -36.29 82.91 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.015 0.436 . . . . 74.52 110.633 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 89.7 mm-40 -63.91 -38.87 92.66 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.355 -0.384 . . . . 75.11 111.144 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.56 -45.28 93.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.904 0.383 . . . . 44.5 111.27 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -65.5 -44.14 87.98 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.129 -0.487 . . . . 74.45 111.714 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.88 -44.01 14.73 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.966 0.728 . . . . 61.54 112.966 -176.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm 60.69 32.71 20.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.965 0.412 . . . . 64.14 111.84 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -1.41 55.53 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.269 -0.491 . . . . 41.31 112.988 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -71.1 95.44 1.23 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.108 0.48 . . . . 54.04 111.278 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -88.85 99.61 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.014 0.435 . . . . 52.31 110.884 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.0 t -80.78 3.5 22.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.004 -0.544 . . . . 52.24 111.698 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -70.93 176.16 4.54 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.376 0.608 . . . . 73.11 111.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.2 ttm -145.8 151.49 38.02 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.92 -0.582 . . . . 72.35 110.892 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -70.26 82.15 0.54 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.458 0.647 . . . . 64.44 111.006 176.742 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.82 171.24 7.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.674 -0.694 . . . . 71.0 111.013 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--O 1.254 1.337 0 CA-C-O 119.309 -0.377 . . . . 70.31 111.31 -177.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.907 0.385 . . . . 73.12 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.603 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 19.1 tt -90.02 131.92 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.14 0.495 . . . . 75.04 111.563 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -118.61 178.1 4.59 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.336 -0.393 . . . . 44.43 111.384 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.69 -38.69 67.32 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.698 0.629 . . . . 61.01 112.698 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.24 76.97 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.033 0.444 . . . . 64.35 111.463 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.575 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 95.7 mttt -79.14 -43.26 24.37 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.36 -0.382 . . . . 55.14 111.235 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.94 -47.01 92.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 120.741 0.305 . . . . 71.35 111.308 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.4 77.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.12 0.486 . . . . 74.1 110.947 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -53.48 -42.54 67.37 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.796 -0.638 . . . . 74.15 111.091 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 6' ' ' LYS . 76.5 mt -59.65 -44.26 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 111.489 0.181 . . . . 64.12 111.489 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -58.47 -43.56 88.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.947 0.403 . . . . 74.32 111.077 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 14.9 tp10 -59.0 -54.33 48.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.921 -0.581 . . . . 72.53 111.077 175.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.75 -35.76 77.22 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.012 -0.54 . . . . 72.32 111.646 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -50.99 71.38 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.317 -0.402 . . . . 32.52 110.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.57 73.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.042 0.449 . . . . 75.21 110.943 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 68.1 mttm -61.11 -39.18 89.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.992 -0.549 . . . . 63.34 111.422 175.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.06 96.09 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.505 -0.316 . . . . 64.53 111.748 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -19.13 58.58 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.782 0.325 . . . . 75.5 111.489 176.639 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.18 -22.98 26.68 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.877 0.37 . . . . 63.02 111.64 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.55 -0.8 89.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.364 -0.446 . . . . 54.05 113.682 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -88.87 12.96 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 112.427 0.529 . . . . 65.53 112.427 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 tt -84.36 126.13 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 121.074 0.464 . . . . 64.1 111.976 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.9 p -81.41 173.24 12.62 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.894 0.378 . . . . 74.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 30.9 mt-10 -65.66 -38.2 88.67 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.216 -0.302 . . . . 65.23 111.324 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -63.96 -40.71 97.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.596 0.236 . . . . 71.31 110.983 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.27 -30.93 69.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.755 0.312 . . . . 71.25 111.034 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 24' ' ' GLU . 59.5 mttm -63.26 -48.43 78.24 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.154 0.502 . . . . 72.4 110.567 171.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.24 86.46 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.009 -0.541 . . . . 55.44 110.961 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -59.27 -48.91 79.84 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.323 0.583 . . . . 73.11 110.701 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -57.52 -52.09 66.8 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.74 -0.664 . . . . 74.32 111.074 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.2 tt0 -57.45 -44.54 84.85 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.941 0.4 . . . . 75.12 111.116 177.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -52.69 -56.2 17.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.374 0.607 . . . . 63.01 111.263 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.86 -26.45 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.675 -0.693 . . . . 65.33 111.891 -177.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 73.3 mtp85 -67.41 -35.38 79.15 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 122.12 -0.362 . . . . 74.21 110.338 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 86.6 mm-40 -63.56 -39.86 95.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.018 0.437 . . . . 73.13 110.396 172.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.603 ' HB3' ' HB ' ' A' ' 2' ' ' ILE . 12.5 mm-40 -59.2 -41.96 89.78 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.402 0.62 . . . . 53.3 110.38 172.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -67.08 -29.94 69.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.398 -0.819 . . . . 64.53 111.537 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 92.3 mt -80.79 -17.39 51.02 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.346 -0.388 . . . . 73.43 111.588 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 72.5 mmtt -62.98 106.42 0.82 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.246 0.546 . . . . 71.24 110.535 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.38 -32.5 7.26 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 115.887 -0.597 . . . . 70.24 111.844 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . 89.3 t80 -82.98 129.19 35.0 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.289 0.566 . . . . 74.34 111.483 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 42' ' ' ARG . 3.0 mmp_? -72.78 102.96 3.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.235 -0.438 . . . . 62.1 110.297 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -63.98 153.2 37.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.35 0.595 . . . . 70.24 112.518 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 t -82.81 -6.79 59.59 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.773 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.0 ptp -148.02 120.67 8.6 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.031 0.443 . . . . 61.12 111.834 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.26 101.46 5.79 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.683 -0.488 . . . . 72.23 109.683 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.64 177.24 10.68 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.332 . . . . 74.02 111.636 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.664 -0.684 . . . . 73.43 111.239 179.631 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 112.052 0.389 . . . . 50.23 112.052 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.57 79.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.039 0.447 . . . . 75.31 111.431 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -74.91 -31.25 61.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.358 -0.383 . . . . 73.14 111.924 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.28 -45.3 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.115 0.483 . . . . 74.55 110.421 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.6 93.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.054 -0.521 . . . . 73.04 110.927 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.633 ' NH1' HD21 ' A' ' 13' ' ' LEU . 22.6 tpt180 -56.31 -43.67 79.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.043 -0.526 . . . . 64.42 111.156 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.97 -51.78 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 122.303 -0.248 . . . . 74.32 111.455 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.89 -32.78 72.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.987 0.422 . . . . 71.35 111.404 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 23.4 tt0 -61.59 -54.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.309 0.576 . . . . 55.22 110.793 173.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.633 HD21 ' NH1' ' A' ' 9' ' ' ARG . 65.1 mt -63.53 -44.82 93.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.568 -0.742 . . . . 73.53 111.483 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.83 73.27 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.288 -0.414 . . . . 74.11 110.863 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.85 93.96 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.109 0.481 . . . . 63.51 111.053 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 98.6 mttt -61.47 -38.71 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.305 -0.407 . . . . 73.32 111.204 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.47 64.95 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.062 0.458 . . . . 52.25 111.488 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -61.7 -31.84 72.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.096 -0.502 . . . . 75.15 110.998 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.71 26.9 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.383 -0.371 . . . . 64.01 111.721 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.91 -5.23 27.38 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 116.243 -0.435 . . . . 54.4 113.364 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.08 13.43 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.612 0.597 . . . . 72.33 112.612 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.2 tt -84.14 128.43 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 120.992 0.425 . . . . 74.21 111.908 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -84.43 165.67 17.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.125 0.488 . . . . 60.1 111.797 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 26.1 mm-40 -56.7 -39.18 73.4 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.952 -0.567 . . . . 75.53 111.989 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.28 -47.4 79.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.41 -0.359 . . . . 72.33 111.391 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 13' ' ' LEU . 9.7 mm-40 -59.33 -44.5 92.61 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.053 0.454 . . . . 72.0 110.643 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 22' ' ' ILE . 53.6 mtpt -56.95 -46.74 81.9 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.091 -0.504 . . . . 65.51 112.039 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.08 82.26 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.05 0.452 . . . . 74.11 111.684 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.88 -41.68 91.26 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.972 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 27.4 tt0 -52.17 -57.65 8.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.993 0.425 . . . . 63.31 111.274 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.87 -44.29 70.29 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.087 -0.506 . . . . 75.13 111.674 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -64.24 -51.58 62.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.603 0.24 . . . . 62.04 111.352 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.907 0.336 . . . . 63.33 111.907 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 81.4 mtp180 -59.96 -38.82 83.59 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.788 0.327 . . . . 74.24 110.676 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -66.77 -42.59 85.84 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.973 0.416 . . . . 75.05 110.99 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -56.39 -31.22 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.28 0.562 . . . . 54.44 110.475 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.8 t80 . . . . . 0 CA--C 1.539 0.536 0 CA-C-N 115.798 -0.637 . . . . 73.43 111.055 176.194 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 CA--C 1.547 0.834 0 N-CA-C 112.04 0.385 . . . . 74.43 112.04 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.49 80.07 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.083 0.468 . . . . 71.23 111.589 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HB3' HD22 ' A' ' 33' ' ' LEU . 95.5 mttt -67.07 -41.26 86.69 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.922 0.391 . . . . 74.13 110.657 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -57.43 -42.9 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.123 0.487 . . . . 74.21 110.837 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.46 76.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.02 0.438 . . . . 64.52 111.179 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -63.72 -38.7 92.09 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.994 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.19 -41.68 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 61.43 111.295 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -59.5 -37.05 77.26 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.078 0.466 . . . . 52.42 111.018 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.51 -57.6 7.82 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.123 0.487 . . . . 75.32 111.27 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 26' ' ' GLU . 83.1 mt -60.19 -40.11 88.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.926 -0.579 . . . . 73.13 111.986 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.99 97.03 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.94 0.4 . . . . 75.42 111.042 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.0 77.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.949 0.404 . . . . 73.44 110.958 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 97.2 mttt -56.89 -44.78 82.66 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.12 -0.491 . . . . 60.51 111.361 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.8 86.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.118 0.485 . . . . 63.15 111.58 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -62.81 -34.06 76.52 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.055 -0.52 . . . . 62.15 111.137 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.47 33.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.838 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.11 7.85 63.66 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.252 -0.499 . . . . 72.51 113.056 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.6 27.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.96 0.41 . . . . 63.43 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 17.1 tt -106.91 141.41 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 120.765 0.317 . . . . 73.52 111.444 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.7 p -88.1 158.77 18.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.429 0.633 . . . . 61.51 111.956 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 17.1 mm-40 -53.81 -37.29 63.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.659 -0.701 . . . . 61.45 111.957 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.5 -40.97 85.18 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.675 -0.238 . . . . 74.24 111.522 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HB3' HD22 ' A' ' 13' ' ' LEU . 28.7 mt-10 -71.34 -34.01 70.12 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 122.156 -0.34 . . . . 73.52 111.154 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 59.0 mtpt -60.07 -43.3 95.54 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.066 0.46 . . . . 74.34 110.927 174.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.16 96.86 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.026 0.441 . . . . 72.44 110.912 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -62.15 -39.83 93.94 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.345 -0.389 . . . . 74.1 110.927 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 50.2 tt0 -59.06 -48.22 82.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.996 0.426 . . . . 75.01 110.701 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -55.76 -46.79 77.79 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.92 -0.582 . . . . 71.35 110.966 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -54.91 -52.49 62.75 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.762 -0.654 . . . . 61.43 111.623 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 6' ' ' LYS . 97.0 mt -63.84 -40.69 97.2 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.067 -0.515 . . . . 73.1 111.98 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 74.5 mtp180 -63.0 -38.86 92.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.611 0.243 . . . . 74.34 111.395 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -61.07 -53.19 60.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.725 0.297 . . . . 73.13 110.846 172.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -33.2 59.76 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.342 0.591 . . . . 74.0 110.707 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.403 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 67.5 t80 . . . . . 0 CA--C 1.538 0.51 0 CA-C-N 115.671 -0.695 . . . . 74.25 111.077 174.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 120.693 0.282 . . . . 70.24 111.723 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.03 91.38 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.119 0.485 . . . . 42.43 111.431 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -70.54 -36.97 73.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.435 -0.348 . . . . 70.43 110.896 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.95 -46.25 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.876 0.37 . . . . 63.45 111.033 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.0 81.55 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.161 0.505 . . . . 74.25 111.21 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.45 -44.72 96.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.989 -0.551 . . . . 74.34 111.034 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.9 -45.18 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.891 0.377 . . . . 64.52 110.814 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.32 -31.59 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.312 -0.404 . . . . 73.12 111.485 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -74.9 -50.63 16.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.94 0.4 . . . . 75.32 111.126 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 26' ' ' GLU . 92.6 mt -60.96 -35.54 77.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.85 0.357 . . . . 55.45 111.2 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.86 85.46 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.944 0.402 . . . . 64.24 110.904 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.81 93.12 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.093 0.473 . . . . 62.21 110.943 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.74 -39.13 87.53 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.015 -0.539 . . . . 70.22 111.164 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.94 95.73 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.32 -0.4 . . . . 74.14 111.232 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.19 -38.53 91.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.088 0.47 . . . . 65.44 110.943 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.91 -9.59 59.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.296 -0.411 . . . . 72.25 111.676 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.89 5.31 64.54 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.469 -0.396 . . . . 41.32 113.909 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.14 -0.25 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 112.325 0.491 . . . . 64.02 112.325 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -75.27 131.52 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 120.745 0.307 . . . . 74.15 111.451 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 72.7 p -83.67 163.5 20.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.297 0.57 . . . . 64.14 112.174 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.39 -41.79 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.722 -0.672 . . . . 62.31 111.763 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.81 -44.94 84.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.831 0.348 . . . . 71.44 111.161 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.3 mt-10 -63.54 -33.47 75.66 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.772 0.32 . . . . 74.33 111.356 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' THR . 98.2 mttt -60.92 -49.78 76.06 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.946 0.403 . . . . 62.3 110.806 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.62 84.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.058 -0.519 . . . . 45.24 110.92 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.09 -46.51 88.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.179 -0.464 . . . . 74.5 111.377 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.0 tt0 -57.61 -44.44 85.5 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.768 0.318 . . . . 62.05 111.222 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -57.98 -47.71 82.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.891 0.376 . . . . 74.44 111.071 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.89 -49.12 76.5 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.861 -0.608 . . . . 73.33 111.59 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.86 -33.32 75.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.314 -0.403 . . . . 63.43 111.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 18.2 mtp180 -65.4 -30.61 71.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.706 0.289 . . . . 71.0 111.233 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -69.04 -39.21 79.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.829 0.347 . . . . 71.12 110.35 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -57.75 -39.54 77.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.283 0.563 . . . . 72.21 110.252 172.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.0 t80 . . . . . 0 CA--C 1.535 0.397 0 CA-C-N 115.588 -0.733 . . . . 74.35 111.054 176.406 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 . . . . . 0 N--CA 1.47 0.558 0 CA-C-O 120.891 0.377 . . . . 72.14 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.42 99.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.047 0.451 . . . . 43.52 110.905 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.2 mttt -68.31 -41.77 80.37 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.037 -0.529 . . . . 74.11 110.87 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.63 -47.07 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.008 0.432 . . . . 64.25 110.941 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.94 90.2 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.881 0.372 . . . . 43.33 110.982 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.5 tpt180 -60.62 -42.64 97.28 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.249 -0.432 . . . . 70.25 110.849 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.3 mt -57.08 -47.78 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.525 -0.307 . . . . 72.44 110.964 174.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -57.79 -43.37 85.57 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.487 -0.324 . . . . 71.01 111.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.38 -53.8 51.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.046 0.451 . . . . 75.21 111.404 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.0 mt -62.34 -39.59 93.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.13 -0.486 . . . . 44.33 111.376 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.32 77.58 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.994 0.426 . . . . 64.24 111.03 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.34 70.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.227 0.537 . . . . 71.13 110.287 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.22 -37.22 71.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.606 -0.725 . . . . 75.52 111.197 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.25 72.98 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.098 -0.501 . . . . 73.21 111.268 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -58.91 -42.72 90.3 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.362 -0.381 . . . . 73.11 111.195 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.73 60.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.268 0.47 . . . . 30.11 112.268 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.86 24.52 64.34 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.257 -0.497 . . . . 72.23 113.533 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.26 8.84 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.367 -0.49 . . . . 61.14 112.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.36 129.66 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 120.916 0.389 . . . . 74.42 111.531 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 50.1 p -89.65 171.98 9.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.288 0.477 . . . . 73.31 112.288 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.53 -59.84 3.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.369 0.507 . . . . 63.42 112.369 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -51.83 -40.87 61.22 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.003 -0.544 . . . . 74.04 111.781 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HB3' HD22 ' A' ' 13' ' ' LEU . 41.9 mt-10 -70.53 -39.34 74.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 62.14 111.629 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 23' ' ' THR . 57.8 mtpt -61.13 -41.52 96.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.106 0.479 . . . . 65.14 110.877 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.84 86.56 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.935 -0.575 . . . . 74.42 111.149 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.5 tp10 -58.99 -43.81 91.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.052 -0.522 . . . . 64.34 110.662 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.8 -45.85 91.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.348 -0.387 . . . . 73.04 111.464 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -58.83 -50.66 73.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.287 0.565 . . . . 72.3 110.682 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -50.05 -49.81 49.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.45 -0.796 . . . . 74.2 111.953 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 89.6 mt -68.3 -34.02 75.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.385 -0.371 . . . . 63.01 111.748 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 34' ' ' ARG . 24.3 mtp180 -63.93 -35.87 82.08 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.695 0.283 . . . . 74.11 110.279 174.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 26.2 mm-40 -62.95 -45.44 92.46 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.939 -0.393 . . . . 72.21 109.939 172.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -54.13 -42.78 69.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.048 -0.524 . . . . 60.11 110.99 174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.2 t80 . . . . . 0 CA--C 1.54 0.572 0 CA-C-N 115.563 -0.744 . . . . 72.13 111.41 -179.008 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 53.14 111.609 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.65 98.77 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.936 0.398 . . . . 71.24 111.338 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -67.71 -42.27 82.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.43 -0.35 . . . . 54.53 111.327 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.4 mt -58.68 -47.7 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.897 0.379 . . . . 61.54 111.402 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.15 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.995 0.426 . . . . 65.24 111.187 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -63.18 -42.36 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.868 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.39 -46.58 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.773 0.32 . . . . 63.5 111.051 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.64 -42.83 84.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.397 -0.365 . . . . 75.31 111.832 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -59.05 -57.74 11.73 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.496 0.665 . . . . 74.3 110.791 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 26' ' ' GLU . 65.4 mt -64.02 -27.26 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.582 -0.736 . . . . 63.13 111.762 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.6 71.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.056 0.455 . . . . 51.41 110.958 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.62 95.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.062 -0.517 . . . . 54.21 110.777 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 95.6 mttt -61.34 -40.59 94.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.03 -0.532 . . . . 72.42 111.848 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.97 88.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.851 0.358 . . . . 52.0 111.576 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -67.0 -36.47 82.23 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.908 0.385 . . . . 75.01 111.34 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.02 -22.82 55.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.91 0.385 . . . . 74.13 111.732 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.72 15.68 70.03 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.388 -0.434 . . . . 60.01 113.517 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.45 15.16 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 122.398 -0.472 . . . . 74.02 112.196 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 16.0 tt -92.61 134.75 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.518 -0.31 . . . . 74.32 111.684 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -82.15 162.47 22.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.192 0.52 . . . . 63.34 112.124 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 16.2 mm-40 -57.74 -41.23 81.43 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.891 -0.595 . . . . 71.52 111.667 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.62 -50.22 74.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.783 0.325 . . . . 71.2 111.386 174.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.7 mt-10 -61.63 -33.36 73.8 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.688 0.28 . . . . 65.3 111.525 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.8 mtpt -64.59 -45.01 88.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.082 0.468 . . . . 64.52 111.136 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.38 97.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.055 0.455 . . . . 74.14 110.956 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.76 -44.14 97.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.787 -0.642 . . . . 75.25 110.614 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -57.71 -43.44 85.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.136 -0.483 . . . . 62.41 111.284 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.525 ' HG2' ' OE1' ' A' ' 35' ' ' GLN . 53.6 tt0 -63.06 -51.17 67.75 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.892 0.377 . . . . 72.31 110.41 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -47.59 -52.38 17.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.027 -0.533 . . . . 63.34 111.212 176.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 80.4 mt -63.53 -34.72 78.42 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.165 -0.47 . . . . 42.53 112.044 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.34 -34.5 76.2 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.266 -0.271 . . . . 75.01 111.676 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.525 ' OE1' ' HG2' ' A' ' 31' ' ' GLN . 1.5 mp0 -65.93 -40.85 91.76 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.995 -0.44 . . . . 72.11 110.253 169.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 9.0 mm-40 -54.4 -43.5 71.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.141 0.496 . . . . 72.1 110.432 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 CA--C 1.538 0.488 0 CA-C-N 115.577 -0.738 . . . . 75.32 111.35 178.517 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 N--CA 1.472 0.66 0 CA-C-O 120.881 0.372 . . . . 75.34 111.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.41 87.32 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.215 -0.448 . . . . 70.4 111.391 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 10' ' ' ILE . 99.9 mttt -64.12 -45.94 86.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.363 -0.381 . . . . 74.52 110.935 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.6 -47.0 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.036 0.446 . . . . 51.14 111.071 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.93 96.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.149 0.499 . . . . 61.02 111.24 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.425 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 32.8 tpt180 -61.04 -37.08 81.36 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.035 -0.53 . . . . 71.04 111.03 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 6' ' ' LYS . 86.0 mt -58.63 -51.24 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 120.881 0.372 . . . . 73.04 111.029 175.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -58.43 -39.47 79.87 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.015 0.436 . . . . 71.34 111.63 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.01 -47.69 79.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.112 0.482 . . . . 73.3 111.068 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.4 mt -71.01 -28.66 64.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.202 -0.453 . . . . 75.24 111.878 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.01 99.85 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 72.45 110.492 174.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.32 70.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.057 -0.52 . . . . 63.23 111.094 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -56.01 -37.38 69.09 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.018 0.437 . . . . 72.02 111.199 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -54.47 35.53 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.242 -0.435 . . . . 74.34 111.692 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -67.51 -20.88 65.49 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.862 0.363 . . . . 64.31 111.894 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.25 -17.19 35.36 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.909 0.385 . . . . 74.32 111.361 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.25 17.35 79.57 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.486 -0.387 . . . . 45.01 113.577 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -106.76 7.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 O-C-N 122.513 -0.404 . . . . 54.11 112.013 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -82.33 133.46 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 120.997 0.427 . . . . 75.12 111.826 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.1 p -76.03 155.15 35.16 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.548 -0.296 . . . . 73.4 110.808 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 4.4 mt-10 -66.14 -22.63 66.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.007 0.432 . . . . 71.42 111.434 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.81 -45.37 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.164 0.507 . . . . 73.14 110.209 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 13' ' ' LEU . 47.9 mt-10 -70.69 -28.39 64.72 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.073 -0.512 . . . . 72.31 111.158 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 56.0 mtpt -65.37 -38.07 88.92 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.009 0.433 . . . . 65.31 110.616 172.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.16 72.98 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.039 -0.528 . . . . 65.13 110.952 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.01 -53.61 55.06 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.899 -0.591 . . . . 70.32 111.535 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.8 tt0 -55.77 -39.3 71.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.581 0.229 . . . . 61.55 111.437 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.8 tt0 -57.61 -43.9 85.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.916 0.389 . . . . 63.31 111.088 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.24 -51.55 69.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.339 0.59 . . . . 63.34 111.028 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.08 -37.72 75.02 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.616 -0.72 . . . . 70.21 111.84 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 80.9 mtp180 -65.33 -36.03 82.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.713 -0.221 . . . . 73.23 111.286 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 83.1 mm-40 -63.83 -45.99 87.11 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.901 0.381 . . . . 73.13 110.387 173.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.39 -45.56 65.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.357 0.598 . . . . 64.52 110.737 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 115.175 -0.92 . . . . 70.23 112.006 179.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.47 0.565 0 CA-C-O 120.785 0.326 . . . . 73.4 111.176 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.89 95.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.958 0.409 . . . . 50.55 111.203 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.513 ' O ' HG13 ' A' ' 10' ' ' ILE . 96.7 mttt -62.65 -45.58 92.19 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.399 -0.364 . . . . 75.05 110.86 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.28 -51.43 69.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.131 0.491 . . . . 72.4 111.19 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.74 76.42 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.185 -0.461 . . . . 72.15 111.636 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -70.29 -39.63 74.75 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.509 -0.314 . . . . 74.24 111.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.5 mt -62.22 -42.29 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.73 0.3 . . . . 73.32 111.113 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.25 -44.02 97.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.856 0.36 . . . . 73.32 110.943 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 11.7 tp10 -58.62 -53.16 61.45 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.989 -0.551 . . . . 64.1 111.476 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -67.19 -36.52 81.93 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.844 0.313 . . . . 74.23 111.844 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -33.14 75.07 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.162 0.506 . . . . 72.33 110.818 174.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.34 74.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.173 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 59.9 mttm -58.47 -35.4 72.12 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.034 174.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.41 75.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.876 0.37 . . . . 64.43 111.233 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -67.26 -22.8 65.66 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.895 0.379 . . . . 61.51 111.624 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.0 -10.88 34.7 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 64.11 111.701 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.55 -4.35 56.43 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.4 -0.364 . . . . 72.33 113.736 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.6 m -84.95 4.87 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 N-CA-C 112.822 0.675 . . . . 75.11 112.822 -174.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.22 122.99 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 120.822 0.344 . . . . 71.1 111.125 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 81.3 p -81.16 165.78 21.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.013 0.435 . . . . 70.23 111.808 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 14.2 mm-40 -53.98 -44.58 70.92 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.102 -0.499 . . . . 73.42 111.909 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.64 -46.29 90.84 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.43 -0.35 . . . . 64.13 111.779 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 13' ' ' LEU . 67.0 mm-40 -67.18 -31.52 71.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.753 0.311 . . . . 65.21 111.56 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 57.9 mtpt -63.04 -45.6 91.51 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.093 0.473 . . . . 72.43 110.684 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.54 94.99 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.979 -0.555 . . . . 43.32 111.04 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.11 -52.75 62.62 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.112 -0.495 . . . . 74.12 111.164 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.23 -49.06 67.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.362 -0.381 . . . . 53.21 111.785 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -56.91 -40.88 77.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.303 0.573 . . . . 75.45 110.915 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -65.51 -47.9 74.38 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.666 -0.697 . . . . 73.11 111.835 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.16 -35.63 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.962 0.411 . . . . 62.23 111.198 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -69.71 -28.56 65.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.52 -0.309 . . . . 72.23 111.507 178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -61.57 -42.76 99.32 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.047 0.451 . . . . 43.42 109.882 170.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.89 -35.41 74.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.087 -0.506 . . . . 61.32 110.932 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.9 t80 . . . . . 0 CA--C 1.544 0.714 0 CA-C-N 116.245 -0.434 . . . . 53.11 110.776 176.033 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 112.452 0.538 . . . . 44.11 112.452 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.41 93.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.084 0.401 . . . . 60.33 112.084 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.9 -44.3 93.37 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.598 -0.274 . . . . 75.15 111.284 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.8 -55.95 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.154 0.502 . . . . 72.35 111.184 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.62 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.992 -0.549 . . . . 65.13 111.471 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 14.4 tpt180 -66.41 -40.89 89.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.718 -0.219 . . . . 74.22 111.413 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.86 -45.22 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.037 0.446 . . . . 61.44 110.662 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -63.01 -39.54 95.08 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.293 -0.412 . . . . 75.1 111.242 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.52 -57.26 13.47 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.078 0.466 . . . . 62.11 111.021 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -64.86 -33.29 75.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.732 -0.667 . . . . 70.22 111.731 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.11 86.58 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.029 0.442 . . . . 55.03 110.751 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.13 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 54.04 111.107 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 94.0 mttt -58.82 -39.45 81.25 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.238 -0.437 . . . . 73.52 111.468 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.22 80.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.926 0.393 . . . . 64.43 111.118 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -62.1 -31.02 71.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.912 -0.585 . . . . 71.44 111.053 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.52 36.26 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.254 -0.43 . . . . 51.23 111.935 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.04 83.32 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 121.517 -0.373 . . . . 53.41 113.644 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.12 -4.25 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-O 120.958 0.409 . . . . 74.34 112.004 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.709 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 14.8 tt -79.85 145.54 9.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.003 0.43 . . . . 74.31 111.611 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -95.67 151.84 18.99 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.399 -0.364 . . . . 71.13 111.022 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.82 -26.53 64.23 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.944 0.35 . . . . 74.33 111.944 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.28 -46.66 87.93 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.313 0.578 . . . . 72.25 110.763 173.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.529 ' HB3' HD22 ' A' ' 13' ' ' LEU . 38.7 mt-10 -69.49 -33.61 73.11 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.829 -0.623 . . . . 75.13 111.008 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 55.5 mtpt -63.55 -45.68 89.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.739 0.304 . . . . 72.55 110.955 177.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.7 80.43 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.143 0.497 . . . . 44.34 110.888 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.2 tp10 -61.72 -48.62 79.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.137 -0.483 . . . . 72.54 110.644 174.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.5 tt0 -55.1 -38.95 68.8 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.155 -0.475 . . . . 64.45 111.157 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 76.7 mt-30 -55.78 -53.14 60.27 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.922 0.391 . . . . 73.31 110.452 175.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -52.11 -47.23 65.41 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.181 0.515 . . . . 74.14 111.049 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.1 mt -61.75 -40.51 95.39 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.755 -0.657 . . . . 73.53 111.628 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 77.6 mtp180 -62.44 -44.69 95.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.575 0.226 . . . . 64.25 111.085 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.68 -35.3 80.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.749 0.309 . . . . 75.21 111.333 176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.84 -33.4 75.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.173 0.511 . . . . 71.23 110.619 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 CA--C 1.539 0.519 0 CA-C-N 115.464 -0.789 . . . . 75.31 111.154 177.426 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.469 0.477 0 CA-C-O 120.677 0.275 . . . . 74.0 111.395 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.65 79.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.053 0.454 . . . . 72.12 110.828 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 10' ' ' ILE . 79.5 mttt -62.05 -45.19 94.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.269 -0.423 . . . . 74.04 110.856 174.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.6 -42.59 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.31 -0.405 . . . . 71.31 111.468 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.16 91.29 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.099 0.476 . . . . 64.22 110.854 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -58.54 -39.14 79.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.868 -0.606 . . . . 74.42 110.926 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.1 mt -61.25 -47.49 93.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.51 -0.314 . . . . 74.33 111.329 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.93 -43.82 98.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.149 0.499 . . . . 71.02 111.147 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -53.88 52.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.913 -0.585 . . . . 64.34 111.429 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 ' HD2' ' A' ' 16' ' ' LYS . 83.0 mt -65.93 -28.95 69.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.8 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.85 84.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.962 0.41 . . . . 64.5 111.02 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.81 85.85 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.051 -0.522 . . . . 72.42 111.188 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HD2' HD23 ' A' ' 13' ' ' LEU . 88.9 mttt -57.51 -39.98 77.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.855 0.36 . . . . 62.24 111.438 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.92 85.47 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.359 -0.382 . . . . 61.21 111.452 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -60.64 -42.35 96.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.215 0.531 . . . . 74.42 111.02 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.67 -21.04 59.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.071 -0.513 . . . . 72.31 111.798 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.72 77.22 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 121.48 -0.391 . . . . 60.42 113.668 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.74 11.33 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.133 0.492 . . . . 71.4 111.866 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 15.0 tt -87.92 132.06 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.382 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.6 p -77.76 159.98 28.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.043 0.449 . . . . 70.04 111.556 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -56.82 -42.16 79.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.099 -0.501 . . . . 70.05 111.219 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.28 -52.45 63.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.178 -0.465 . . . . 75.21 111.51 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HB3' HD22 ' A' ' 13' ' ' LEU . 46.8 mt-10 -61.3 -35.22 76.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.216 -0.447 . . . . 71.11 111.662 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -63.71 -55.85 20.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 122.29 -0.256 . . . . 74.43 110.999 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.57 69.48 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.095 0.474 . . . . 51.41 111.201 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.0 tt0 -63.47 -52.5 61.08 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.989 -0.551 . . . . 73.45 111.086 176.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.2 tt0 -56.52 -42.92 79.22 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.566 0.222 . . . . 73.11 111.005 176.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 55.8 mt-30 -57.0 -45.93 82.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.613 0.244 . . . . 65.43 110.668 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -59.39 -46.84 87.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.901 0.381 . . . . 72.1 111.358 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 70.6 mt -59.7 -38.98 83.09 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 74.03 111.088 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 83.2 mtp180 -63.35 -37.72 88.35 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.939 0.4 . . . . 74.11 110.462 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 84.2 mm-40 -63.0 -43.24 99.32 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.009 0.433 . . . . 64.25 110.796 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.74 -29.94 70.53 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.291 -0.413 . . . . 64.42 111.229 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.7 t80 . . . . . 0 CA--C 1.54 0.563 0 CA-C-O 121.085 0.469 . . . . 54.43 110.722 171.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 p30 . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 112.181 0.437 . . . . 74.5 112.181 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.05 79.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.089 0.471 . . . . 74.43 111.251 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' ' 10' ' ' ILE . 64.4 mttp -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.831 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.86 -47.8 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.073 0.463 . . . . 64.04 110.695 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.56 80.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.16 -0.473 . . . . 23.33 111.104 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -63.69 -42.31 98.01 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.102 -0.499 . . . . 71.52 110.914 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 6' ' ' LYS . 71.2 mt -58.97 -45.86 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.735 0.302 . . . . 65.31 111.035 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -59.39 -41.7 90.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.049 0.452 . . . . 52.23 111.315 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.543 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 13.1 tp10 -63.85 -52.08 61.71 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.06 -0.518 . . . . 72.34 111.536 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 26' ' ' GLU . 93.2 mt -64.22 -43.53 94.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.795 0.331 . . . . 72.43 111.393 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -58.85 -39.83 82.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.081 0.467 . . . . 62.54 110.707 176.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.82 98.04 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.016 0.436 . . . . 75.3 110.815 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 62.9 mttm -60.12 -35.89 76.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.854 0.359 . . . . 71.22 110.768 174.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -44.35 81.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.101 0.476 . . . . 74.24 111.127 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 28.0 mtpp -64.64 -26.89 68.58 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 65.11 111.083 176.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.32 -28.25 23.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.469 . . . . 61.4 111.537 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.71 7.56 61.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 116.422 -0.354 . . . . 62.41 113.422 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.12 -0.25 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 112.771 0.656 . . . . 62.22 112.771 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.453 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.0 tt -76.13 124.07 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.339 0.59 . . . . 75.21 112.286 -175.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.451 ' OG1' ' HG2' ' A' ' 26' ' ' GLU . 58.5 p -79.32 160.28 26.84 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.011 0.434 . . . . 74.1 111.88 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.7 -33.51 64.24 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.966 -0.561 . . . . 55.03 111.629 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -67.5 -48.71 66.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.294 -0.412 . . . . 72.13 110.991 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HB3' HD22 ' A' ' 13' ' ' LEU . 36.7 mm-40 -60.88 -37.8 83.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.912 0.387 . . . . 73.05 110.774 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 22' ' ' ILE . 57.2 mtpt -62.55 -40.33 96.48 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.276 -0.42 . . . . 54.42 111.461 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.74 77.02 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.917 0.389 . . . . 62.24 111.116 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 46.5 tp10 -61.3 -41.28 96.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.481 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 34' ' ' ARG . 29.2 tt0 -60.91 -38.55 86.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.361 . . . . 65.22 111.462 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 29.0 tt0 -61.59 -51.87 66.77 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.993 -0.373 . . . . 75.31 109.993 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.63 -56.79 8.76 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.522 -0.763 . . . . 70.0 111.969 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 79.4 mt -57.66 -38.97 76.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.307 -0.406 . . . . 44.42 111.414 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' ' 37' ' ' TYR . 85.7 mtm180 -70.42 -24.21 62.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.876 0.324 . . . . 64.14 111.876 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.8 mm-40 -63.1 -47.17 83.99 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.774 -0.454 . . . . 73.43 109.774 172.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -62.11 -41.57 98.35 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.831 -0.622 . . . . 71.43 111.117 172.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HB3' ' HA ' ' A' ' 34' ' ' ARG . 57.8 t80 . . . . . 0 CA--C 1.54 0.561 0 CA-C-N 115.848 -0.614 . . . . 75.14 111.619 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m120 . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.501 0.556 . . . . 73.01 112.501 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -50.08 74.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.63 0.252 . . . . 63.13 111.565 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.518 ' O ' HG13 ' A' ' 10' ' ' ILE . 92.8 mttt -57.94 -42.96 85.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.509 0.195 . . . . 74.54 111.296 176.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.63 -47.49 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.842 0.353 . . . . 70.2 111.204 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.61 81.18 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.116 0.484 . . . . 72.32 111.037 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.63 -42.47 98.15 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.984 -0.553 . . . . 75.22 111.213 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 6' ' ' LYS . 73.2 mt -60.07 -48.97 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.702 0.287 . . . . 60.15 111.14 177.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -59.9 -40.37 88.56 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.827 0.346 . . . . 73.44 111.521 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.68 -52.22 65.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.139 0.495 . . . . 60.41 111.191 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 26' ' ' GLU . 95.0 mt -63.26 -32.22 73.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.327 -0.397 . . . . 72.32 111.477 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -63.94 -45.97 86.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.013 0.435 . . . . 71.54 110.778 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.7 98.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.211 -0.449 . . . . 64.51 111.053 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HD2' HD23 ' A' ' 13' ' ' LEU . 65.8 mttm -58.64 -37.94 77.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.889 0.376 . . . . 74.41 111.265 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.51 88.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.375 -0.375 . . . . 73.25 111.288 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 mtpm? -63.36 -42.17 98.87 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.17 0.51 . . . . 73.45 111.076 176.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.39 56.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.732 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.05 46.81 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.334 -0.46 . . . . 64.4 113.189 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.08 -0.2 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 112.464 0.542 . . . . 70.43 112.464 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 tt -82.75 133.34 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.015 0.376 . . . . 70.23 112.015 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 p -85.65 168.66 14.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.255 0.55 . . . . 65.04 112.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.4 -31.55 72.71 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.026 -0.534 . . . . 51.34 111.894 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.35 -45.54 76.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.996 0.427 . . . . 72.11 111.004 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 13' ' ' LEU . 8.3 mm-40 -61.36 -42.91 99.47 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.202 0.525 . . . . 75.23 110.643 175.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.57 -41.85 91.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 63.2 111.283 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . -59.34 -42.83 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.345 -0.389 . . . . 71.1 110.917 176.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -63.38 -45.8 89.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.403 -0.362 . . . . 75.24 110.819 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 35.4 tt0 -53.8 -46.01 70.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.908 0.385 . . . . 72.2 110.818 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -53.48 -52.8 58.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.074 0.464 . . . . 71.35 111.222 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 28' ' ' ALA . 88.6 mttt -58.56 -43.53 89.38 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.861 -0.608 . . . . 61.44 111.597 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.28 -38.69 91.93 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.294 -0.412 . . . . 65.44 111.165 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 62.4 mtp85 -65.64 -35.49 80.95 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.318 -0.401 . . . . 74.34 111.135 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -64.64 -41.14 96.35 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.872 0.368 . . . . 72.13 110.314 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.25 -36.81 81.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.277 -0.42 . . . . 70.11 110.957 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 CA--C 1.539 0.528 0 CA-C-N 116.118 -0.492 . . . . 52.53 111.122 176.319 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 112.177 0.436 . . . . 70.53 112.177 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.97 93.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 53.33 111.206 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.8 mttt -66.52 -43.58 84.84 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.253 -0.43 . . . . 74.43 110.66 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.68 -45.74 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.098 0.475 . . . . 75.45 111.01 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.07 85.94 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.2 -0.454 . . . . 40.11 111.541 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 23.1 tpt180 -62.8 -41.76 99.42 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.461 -0.336 . . . . 75.41 111.021 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 6' ' ' LYS . 67.5 mt -58.26 -52.81 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.564 0.221 . . . . 73.53 111.532 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -55.82 -42.02 75.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.85 0.357 . . . . 62.32 111.354 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.479 ' HG2' ' HE2' ' A' ' 16' ' ' LYS . 36.6 tt0 -61.84 -47.0 87.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.973 0.416 . . . . 71.31 111.222 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 68.5 mt -63.75 -29.56 70.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.451 -0.341 . . . . 75.31 111.285 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.15 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.221 0.534 . . . . 73.13 110.792 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -48.91 60.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.083 0.468 . . . . 24.14 110.725 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HD2' HD23 ' A' ' 13' ' ' LEU . 67.9 mttm -57.89 -36.53 72.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.96 -0.563 . . . . 55.13 111.717 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.67 64.58 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.993 0.425 . . . . 71.4 111.102 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -61.22 -40.41 93.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.426 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.55 60.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.946 0.35 . . . . 71.33 111.946 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.54 5.23 89.69 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 121.288 -0.482 . . . . 64.33 113.379 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.48 12.93 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.271 0.471 . . . . 44.13 112.271 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -81.62 129.97 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.922 0.391 . . . . 73.42 111.404 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.486 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 66.4 p -81.79 164.77 21.44 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.14 0.495 . . . . 74.12 112.121 -178.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.44 -42.81 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.824 -0.626 . . . . 63.0 111.199 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.58 -47.31 86.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.792 -0.64 . . . . 70.51 111.276 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CD ' HH21 ' A' ' 9' ' ' ARG . 71.6 mm-40 -64.4 -31.62 72.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.539 -0.3 . . . . 74.23 111.654 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 23' ' ' THR . 99.5 mttt -64.98 -48.47 73.91 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.018 0.437 . . . . 62.32 111.063 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.42 91.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.138 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.77 -36.19 83.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.268 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.39 -47.82 80.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.016 0.436 . . . . 64.44 110.679 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.9 mt-30 -60.82 -50.06 74.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.016 -0.538 . . . . 55.02 110.588 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -52.66 -44.26 66.04 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.357 -0.838 . . . . 63.32 111.864 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.81 -41.56 91.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.918 0.389 . . . . 74.43 111.369 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -66.12 -28.23 68.65 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.527 -0.306 . . . . 64.03 111.643 178.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.7 mm-40 -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.091 0.472 . . . . 63.35 109.855 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.89 -37.18 76.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.78 -0.645 . . . . 74.13 111.211 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 CA--C 1.541 0.604 0 CA-C-N 116.146 -0.479 . . . . 53.22 111.304 176.768 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 113.267 0.839 . . . . 71.53 113.267 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.79 84.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.088 0.47 . . . . 74.13 111.907 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 9' ' ' ARG . 56.0 mttp -70.2 -39.05 75.41 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.875 0.369 . . . . 72.51 111.218 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.36 -47.59 91.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.896 0.379 . . . . 71.12 110.947 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.4 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.159 0.504 . . . . 74.53 111.092 175.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 24.4 tpt180 -61.79 -49.09 77.76 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.399 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 6' ' ' LYS . 69.4 mt -57.25 -47.69 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.555 -0.293 . . . . 75.13 111.168 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -55.29 -51.2 67.43 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.948 0.404 . . . . 74.42 111.47 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.4 tp10 -56.94 -49.31 76.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.082 0.467 . . . . 64.44 110.656 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.5 mt -62.55 -32.49 73.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.14 -0.482 . . . . 72.51 111.675 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.87 94.89 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.161 0.505 . . . . 70.13 111.182 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.33 76.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.139 -0.482 . . . . 65.14 111.093 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.9 mtpm? -59.04 -35.69 73.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.115 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.27 38.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.406 -0.361 . . . . 52.01 111.368 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -60.52 -31.56 70.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.956 0.408 . . . . 74.43 111.679 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.98 -12.93 58.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 111.898 0.333 . . . . 73.04 111.898 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.18 -1.54 88.52 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.298 -0.477 . . . . 72.23 113.12 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.69 28.46 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-O 121.404 0.621 . . . . 75.31 112.044 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.18 135.18 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 120.872 0.367 . . . . 72.03 110.791 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.486 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 31.9 p -84.76 161.12 20.11 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.101 0.476 . . . . 74.23 111.41 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.25 -34.78 74.19 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.103 -0.498 . . . . 73.25 111.17 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.26 -47.35 73.99 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 60.25 110.962 175.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB3' HD22 ' A' ' 13' ' ' LEU . 52.1 mt-10 -57.36 -41.06 79.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.924 0.392 . . . . 73.34 111.388 176.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 53.4 mtpt -61.63 -47.46 85.33 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.465 -0.334 . . . . 74.22 110.946 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.98 84.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.948 0.404 . . . . 65.31 111.305 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -61.34 -47.4 86.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.946 -0.57 . . . . 53.24 111.218 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.496 ' HG2' ' HD2' ' A' ' 34' ' ' ARG . 36.4 tt0 -55.69 -50.69 69.6 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.264 -0.425 . . . . 74.34 111.006 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 13.3 mm100 -55.29 -41.9 72.93 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.203 0.525 . . . . 74.2 111.089 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -59.93 -51.0 71.58 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.9 -0.591 . . . . 74.54 111.002 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.01 -30.97 71.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.991 -0.55 . . . . 75.23 111.844 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 30' ' ' GLN . 62.9 mtp180 -65.34 -43.4 91.03 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.833 0.349 . . . . 75.32 111.056 176.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.86 -36.37 84.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.995 0.426 . . . . 64.13 110.966 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.3 -39.85 85.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.45 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.7 t80 . . . . . 0 N--CA 1.469 0.525 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.705 -178.837 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.111 0.481 . . . . 54.5 110.512 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.65 96.46 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.125 -0.489 . . . . 62.14 111.196 174.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -62.15 -44.32 96.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.512 -0.313 . . . . 72.24 111.302 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.91 -42.39 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.95 0.405 . . . . 73.35 110.684 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.25 85.91 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.05 0.452 . . . . 73.4 110.915 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -63.64 -35.51 80.78 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.215 -0.448 . . . . 75.45 111.043 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.54 -55.97 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 120.607 0.242 . . . . 74.1 111.116 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -55.52 -36.94 67.27 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.946 0.403 . . . . 55.43 111.225 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.489 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 10.4 tp10 -65.77 -63.29 1.12 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.007 -0.542 . . . . 73.22 111.248 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 26' ' ' GLU . 75.4 mt -57.09 -39.45 75.04 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.279 0.474 . . . . 71.34 112.279 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.225 0.536 . . . . 72.52 110.908 176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.16 96.82 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.105 -0.498 . . . . 42.4 110.963 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HD2' ' HG3' ' A' ' 12' ' ' GLU . 7.6 mtpm? -63.85 -31.78 73.07 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.137 -0.483 . . . . 64.44 111.104 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -41.83 73.23 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.905 0.383 . . . . 73.34 110.724 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -59.94 -43.12 95.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.069 -0.514 . . . . 74.44 111.171 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.97 -10.95 59.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.132 -0.485 . . . . 74.2 112.191 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.33 18.21 80.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.232 -0.508 . . . . 53.52 113.458 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -103.44 23.99 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.245 0.545 . . . . 74.02 111.778 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -99.07 132.08 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 120.978 0.418 . . . . 74.24 111.115 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.7 p -91.54 166.51 12.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.867 0.365 . . . . 64.31 111.96 -178.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -52.93 -46.31 68.03 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.308 -0.405 . . . . 73.31 111.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.6 -48.22 81.69 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.31 -0.404 . . . . 74.35 110.729 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.4 mt-10 -61.92 -40.23 94.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.352 -0.385 . . . . 75.54 111.833 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 23' ' ' THR . 59.4 mtpt -61.13 -39.41 89.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.947 0.403 . . . . 71.34 110.73 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.59 92.86 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.13 111.252 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 18.8 tp10 -66.92 -41.33 87.24 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.688 -0.233 . . . . 75.42 111.303 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.53 ' HA ' HD12 ' A' ' 33' ' ' LEU . 10.0 tt0 -57.68 -39.56 77.41 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.098 0.475 . . . . 74.32 111.283 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.46 -53.28 59.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.498 0.666 . . . . 73.2 109.989 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -56.76 -35.76 69.01 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.136 -0.938 . . . . 71.21 111.946 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 30' ' ' GLN . 92.3 mt -67.35 -44.71 78.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.064 0.459 . . . . 73.13 111.601 177.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -67.66 -36.12 80.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.297 -0.411 . . . . 73.11 111.505 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.85 -31.48 72.51 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.059 0.456 . . . . 74.41 111.035 171.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.38 -41.19 69.99 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.13 0.49 . . . . 73.15 110.973 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 t80 . . . . . 0 CA--C 1.54 0.565 0 CA-C-N 115.777 -0.647 . . . . 61.42 111.298 -179.789 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 64.13 111.841 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.7 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.873 0.368 . . . . 72.35 111.471 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.59 -32.34 73.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.59 0.233 . . . . 75.02 111.577 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.87 -43.01 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.232 0.539 . . . . 70.14 110.453 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.82 88.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.143 0.497 . . . . 62.42 110.692 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.9 tpt180 -60.03 -41.56 92.48 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.893 -0.594 . . . . 75.51 110.857 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.71 -47.81 91.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.632 -0.258 . . . . 74.3 111.26 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -57.22 -45.5 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.644 0.259 . . . . 73.1 111.365 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -58.34 -52.74 64.34 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.014 0.435 . . . . 74.42 111.387 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.1 mt -64.21 -27.91 69.38 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.333 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.01 77.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.133 0.492 . . . . 72.22 110.854 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.36 86.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.182 0.515 . . . . 71.01 110.461 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 13' ' ' LEU . 67.4 mttm -58.82 -44.26 90.82 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.075 -0.511 . . . . 73.35 111.199 175.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.43 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.923 0.392 . . . . 72.4 111.228 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -61.46 -31.47 71.43 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.998 0.428 . . . . 62.21 111.208 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.6 -12.11 40.72 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.381 -0.372 . . . . 43.51 111.894 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.44 0.98 80.79 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.477 -0.392 . . . . 74.14 113.651 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 m -88.94 9.43 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 112.219 0.452 . . . . 65.04 112.219 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -80.52 135.91 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.888 0.375 . . . . 73.12 111.181 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 29.8 p -82.94 161.33 21.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.106 0.479 . . . . 65.25 111.229 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.7 -35.74 75.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.15 0.5 . . . . 71.01 111.314 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.1 -44.72 79.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.954 -0.567 . . . . 71.51 110.965 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HD22 ' A' ' 13' ' ' LEU . 61.6 mt-10 -64.03 -33.96 76.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.981 0.42 . . . . 75.21 111.152 176.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 23' ' ' THR . 9.8 mtpm? -62.93 -44.93 94.75 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.45 -0.341 . . . . 73.44 110.79 174.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.03 90.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.157 0.503 . . . . 64.01 110.781 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.34 -51.98 66.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.901 -0.59 . . . . 73.1 111.289 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 36.6 tt0 -54.09 -49.51 68.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.508 -0.315 . . . . 72.3 111.49 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.34 -47.47 83.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.844 0.354 . . . . 64.43 110.868 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.71 -50.65 69.74 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.366 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.83 -30.3 71.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.597 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 48.0 mtp85 -64.8 -41.14 96.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 61.1 111.518 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.22 -43.3 95.38 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 122.081 -0.387 . . . . 71.33 110.838 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.95 -31.14 71.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 63.44 111.327 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 . . . . . 0 N--CA 1.467 0.407 0 CA-C-N 116.12 -0.491 . . . . 74.02 111.172 176.737 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.712 0.264 . . . . 75.2 111.712 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.94 91.17 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 64.02 111.452 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.68 -39.14 80.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.185 -0.461 . . . . 54.35 111.155 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.88 -44.18 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 121.093 0.473 . . . . 74.11 110.677 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.95 75.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.227 -0.442 . . . . 50.31 111.192 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.08 -44.83 87.64 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.244 -0.434 . . . . 72.31 111.034 176.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.54 -45.74 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 120.816 0.341 . . . . 73.42 111.211 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.78 -42.53 89.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.309 0.576 . . . . 72.44 111.189 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 34.7 tt0 -60.84 -60.72 3.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.821 -0.627 . . . . 72.43 111.534 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 26' ' ' GLU . 81.5 mt -61.6 -28.95 69.72 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.926 -0.579 . . . . 74.53 111.793 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.07 90.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.054 0.454 . . . . 74.22 110.793 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.25 79.21 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.935 0.398 . . . . 64.11 110.914 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.4 mtpm? -58.82 -32.67 69.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.265 -0.425 . . . . 73.21 110.802 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.66 74.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.295 -0.411 . . . . 73.35 111.387 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -70.02 -27.14 64.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.736 0.303 . . . . 62.52 111.346 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.42 -14.03 33.72 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 120.885 0.374 . . . . 60.14 111.838 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.96 -8.47 73.04 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.231 -0.509 . . . . 60.34 113.317 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 34.6 m -83.34 27.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 N-CA-C 112.196 0.443 . . . . 63.3 112.196 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.81 127.27 58.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.8 0.333 . . . . 74.24 110.79 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 32.2 p -74.82 161.93 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.911 -0.493 . . . . 71.4 111.454 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.29 -34.77 72.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.261 0.553 . . . . 72.34 110.838 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.19 -42.66 68.73 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.906 -0.588 . . . . 73.52 111.25 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.6 mt-10 -61.52 -35.45 77.76 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.662 0.267 . . . . 73.4 111.02 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 23' ' ' THR . 58.6 mtpt -63.24 -37.49 87.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.799 0.333 . . . . 74.51 110.811 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.69 -38.25 76.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.333 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -64.98 -46.38 81.73 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.106 0.479 . . . . 73.1 110.251 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -55.91 -49.92 72.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.078 -0.51 . . . . 75.4 110.219 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -49.59 -60.89 2.46 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.76 -0.655 . . . . 73.14 111.374 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -47.82 -46.72 31.13 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.138 0.575 . . . . 65.43 111.799 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.58 -25.56 59.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.081 -0.509 . . . . 53.31 112.351 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 58.9 mtp180 -68.67 -37.98 80.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.019 -0.426 . . . . 64.23 110.805 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.64 -45.68 91.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.93 -0.396 . . . . 53.03 109.93 170.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -54.24 -40.08 67.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.002 0.429 . . . . 64.12 111.21 173.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 CA--C 1.539 0.52 0 CA-C-N 116.04 -0.527 . . . . 74.43 111.409 177.48 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 112.739 0.644 . . . . 63.22 112.739 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.43 85.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.049 0.452 . . . . 53.42 111.723 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -71.91 -40.36 68.88 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.432 -0.349 . . . . 52.44 111.386 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.5 mt -54.88 -46.65 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 121.063 0.459 . . . . 62.23 111.097 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.26 90.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.857 0.361 . . . . 60.25 111.302 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.84 -31.83 71.93 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.617 0.229 . . . . 73.13 111.617 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.43 -49.7 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 120.839 0.352 . . . . 72.51 110.383 173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -61.32 -39.08 89.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.232 -0.44 . . . . 72.35 111.329 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -54.57 -54.31 42.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.519 0.676 . . . . 71.23 110.899 173.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 16' ' ' LYS . 84.0 mt -72.27 -22.15 61.26 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.735 -0.666 . . . . 61.02 111.69 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.08 -43.77 67.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.918 0.39 . . . . 53.54 110.93 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.9 77.28 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.213 0.53 . . . . 72.21 110.33 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 52.5 mttm -55.51 -45.2 77.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.753 -0.658 . . . . 75.23 111.802 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.2 94.09 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.36 -0.382 . . . . 43.13 111.985 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -72.77 -40.04 66.28 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.768 0.318 . . . . 74.43 111.748 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.27 61.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.003 0.43 . . . . 61.34 111.752 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.3 86.43 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.294 -0.479 . . . . 64.32 113.448 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.11 20.95 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 120.963 0.411 . . . . 55.55 111.75 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 18.0 tt -104.3 133.48 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.078 0.466 . . . . 75.42 111.518 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p -93.02 165.24 12.95 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.985 0.421 . . . . 74.31 111.825 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.67 -30.42 67.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.318 -0.401 . . . . 70.22 111.826 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.17 -50.32 48.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.352 . . . . 64.54 111.14 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.7 -38.31 78.01 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.321 0.582 . . . . 70.01 110.599 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG3' HG12 ' A' ' 22' ' ' ILE . 58.3 mtpt -64.27 -35.59 81.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.976 -0.556 . . . . 71.55 111.087 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.3 93.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.368 -0.378 . . . . 41.43 111.094 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.0 tt0 -67.32 -37.77 83.85 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.629 -0.259 . . . . 74.51 110.408 175.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.69 -41.07 69.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.307 0.575 . . . . 75.11 110.453 172.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 61.8 tt0 -63.77 -47.99 78.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.101 -0.5 . . . . 71.21 110.686 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.69 -46.86 70.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.934 -0.575 . . . . 74.01 111.438 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 65.5 mt -63.17 -43.07 99.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.991 -0.55 . . . . 70.22 111.151 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 31' ' ' GLN . 91.0 mtm180 -64.49 -29.9 70.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.187 -0.46 . . . . 74.45 111.759 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 87.9 mm-40 -61.35 -54.1 48.14 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.852 0.358 . . . . 71.11 110.227 173.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -53.66 -39.2 64.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.496 0.665 . . . . 70.04 110.897 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.4 t80 . . . . . 0 CA--C 1.54 0.579 0 CA-C-N 115.309 -0.859 . . . . 62.4 111.857 178.583 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.471 0.624 0 CA-C-O 120.892 0.377 . . . . 74.11 111.67 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.06 97.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.877 0.37 . . . . 75.42 110.856 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.89 -37.76 88.72 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.405 -0.361 . . . . 71.54 111.348 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.15 -46.55 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 120.939 0.4 . . . . 73.01 111.27 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.89 -46.08 82.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.06 0.457 . . . . 52.31 110.783 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -59.04 -42.24 89.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.957 -0.565 . . . . 73.41 111.534 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.89 -45.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.695 0.283 . . . . 71.25 111.293 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -68.08 -32.93 73.61 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 111.821 0.304 . . . . 72.24 111.821 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.24 -50.54 71.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.089 0.471 . . . . 75.45 110.785 175.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.77 -40.79 88.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.029 -0.532 . . . . 72.54 111.008 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.18 84.01 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.314 -0.403 . . . . 61.3 111.128 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.38 74.46 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.216 0.532 . . . . 54.11 111.073 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.0 -36.7 80.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.246 -0.434 . . . . 74.52 111.068 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.49 -33.97 62.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.303 -0.408 . . . . 73.11 111.556 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -68.36 -38.56 81.53 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.859 0.362 . . . . 74.32 110.783 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -47.79 48.71 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.981 0.419 . . . . 74.31 110.984 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.12 34.52 2.94 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.197 -0.456 . . . . 61.53 113.131 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.94 -7.97 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 122.359 -0.494 . . . . 74.22 112.173 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.54 140.01 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 112.629 0.603 . . . . 73.15 112.629 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.8 p -95.2 163.67 13.18 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.357 -0.383 . . . . 33.32 111.854 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.25 -34.78 74.17 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.2 -50.12 74.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.101 0.477 . . . . 73.12 110.776 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.93 -35.85 81.47 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.091 -0.504 . . . . 53.41 111.074 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.17 -30.28 68.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.632 -0.258 . . . . 73.21 111.663 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.39 70.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.301 0.572 . . . . 73.43 110.419 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.05 -50.4 73.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.576 -0.738 . . . . 74.11 110.669 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.527 HE21 ' NH1' ' A' ' 34' ' ' ARG . 46.1 tt0 -53.57 -44.34 69.24 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.973 -0.558 . . . . 63.32 111.506 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 30.1 tt0 -58.34 -52.41 65.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.363 -0.381 . . . . 34.3 110.87 177.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.99 -47.07 84.11 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.128 -0.487 . . . . 71.12 111.831 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 99.2 mt -65.03 -37.26 87.01 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.5 -0.318 . . . . 74.02 111.659 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.527 ' NH1' HE21 ' A' ' 30' ' ' GLN . 87.6 mtt180 -65.89 -35.57 81.01 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 121.258 -0.177 . . . . 73.42 111.271 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 81.1 mm-40 -61.25 -44.24 97.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.976 0.417 . . . . 71.42 110.18 174.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.4 mm-40 -51.23 -42.79 61.22 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.414 0.626 . . . . 74.13 110.76 172.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 t80 . . . . . 0 CA--C 1.539 0.557 0 CA-C-N 115.289 -0.869 . . . . 64.32 111.339 -179.841 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 CA--C 1.54 0.581 0 CA-C-O 120.85 0.357 . . . . 73.24 110.947 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.6 99.74 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.945 172.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 10' ' ' ILE . 67.8 mttm -66.78 -36.8 83.24 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.896 0.379 . . . . 61.43 110.683 176.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.19 -43.32 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.063 0.459 . . . . 63.11 110.402 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.57 86.39 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.076 -0.511 . . . . 64.05 110.776 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.8 tpt180 -61.95 -41.16 97.66 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.954 175.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.2 mt -55.94 -44.95 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.761 0.315 . . . . 75.31 110.843 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -66.69 -40.0 88.33 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.99 0.424 . . . . 63.1 111.152 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.1 -48.62 75.82 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.488 0.661 . . . . 71.34 110.661 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 26' ' ' GLU . 72.4 mt -72.16 -29.82 64.4 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.65 -0.704 . . . . 74.52 111.308 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.9 99.64 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 70.42 110.458 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.24 74.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.048 0.452 . . . . 64.31 110.848 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -57.68 -35.1 70.13 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.587 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.9 79.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.954 0.407 . . . . 65.4 111.365 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -65.93 -41.85 90.82 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.457 -0.338 . . . . 71.35 111.009 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.32 -29.07 59.9 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.939 0.4 . . . . 43.11 111.759 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.42 63.62 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.598 -0.274 . . . . 52.21 113.405 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.93 15.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 112.248 0.462 . . . . 73.13 112.248 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.74 128.4 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-O 121.205 0.526 . . . . 73.12 111.755 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.9 p -87.15 168.06 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.906 0.384 . . . . 73.25 111.693 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.93 -42.98 95.16 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.339 -0.391 . . . . 73.14 111.528 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.83 -42.98 98.81 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.117 0.484 . . . . 75.35 110.95 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HB3' HD22 ' A' ' 13' ' ' LEU . 14.3 mm-40 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.109 -0.496 . . . . 62.24 111.122 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' THR . 54.3 mtpt -62.89 -44.14 96.89 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.884 0.373 . . . . 71.25 111.573 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.56 83.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.993 0.425 . . . . 71.04 111.333 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 tt0 -67.02 -42.89 84.16 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.33 -0.395 . . . . 72.44 111.011 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.5 tt0 -51.89 -49.88 62.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.972 0.415 . . . . 55.54 111.067 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.1 tt0 -58.67 -48.7 80.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.308 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.51 -36.48 83.9 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 120.801 0.334 . . . . 70.34 111.536 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 85.2 mt -65.09 -39.56 93.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.014 0.435 . . . . 61.55 110.797 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 70.9 mtp85 -62.92 -36.29 82.91 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.015 0.436 . . . . 74.52 110.633 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 17.4 mm100 -63.91 -38.87 92.66 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.355 -0.384 . . . . 75.11 111.144 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.56 -45.28 93.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.904 0.383 . . . . 44.5 111.27 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 t80 . . . . . 0 CA--C 1.544 0.726 0 CA-C-N 116.129 -0.487 . . . . 74.45 111.714 -178.593 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 112.698 0.629 . . . . 61.01 112.698 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.24 76.97 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.033 0.444 . . . . 64.35 111.463 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' O ' HG13 ' A' ' 10' ' ' ILE . 95.7 mttt -79.14 -43.26 24.37 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.36 -0.382 . . . . 55.14 111.235 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.94 -47.01 92.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 120.741 0.305 . . . . 71.35 111.308 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.4 77.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.12 0.486 . . . . 74.1 110.947 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -53.48 -42.54 67.37 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.796 -0.638 . . . . 74.15 111.091 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 6' ' ' LYS . 76.5 mt -59.65 -44.26 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 111.489 0.181 . . . . 64.12 111.489 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -58.47 -43.56 88.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.947 0.403 . . . . 74.32 111.077 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 14.9 tp10 -59.0 -54.33 48.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.921 -0.581 . . . . 72.53 111.077 175.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.75 -35.76 77.22 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.012 -0.54 . . . . 72.32 111.646 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -50.99 71.38 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.317 -0.402 . . . . 32.52 110.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.57 73.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.042 0.449 . . . . 75.21 110.943 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 68.1 mttm -61.11 -39.18 89.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.992 -0.549 . . . . 63.34 111.422 175.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.06 96.09 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.505 -0.316 . . . . 64.53 111.748 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -19.13 58.58 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.782 0.325 . . . . 75.5 111.489 176.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.18 -22.98 26.68 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.877 0.37 . . . . 63.02 111.64 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.55 -0.8 89.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.364 -0.446 . . . . 54.05 113.682 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -88.87 12.96 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 112.427 0.529 . . . . 65.53 112.427 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 tt -84.36 126.13 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 121.074 0.464 . . . . 64.1 111.976 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.9 p -81.41 173.24 12.62 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.894 0.378 . . . . 74.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 30.9 mt-10 -65.66 -38.2 88.67 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.216 -0.302 . . . . 65.23 111.324 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -63.96 -40.71 97.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.596 0.236 . . . . 71.31 110.983 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.27 -30.93 69.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.755 0.312 . . . . 71.25 111.034 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 24' ' ' GLU . 59.5 mttm -63.26 -48.43 78.24 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.154 0.502 . . . . 72.4 110.567 171.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.24 86.46 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.009 -0.541 . . . . 55.44 110.961 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -59.27 -48.91 79.84 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.323 0.583 . . . . 73.11 110.701 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -57.52 -52.09 66.8 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.74 -0.664 . . . . 74.32 111.074 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.2 tt0 -57.45 -44.54 84.85 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.941 0.4 . . . . 75.12 111.116 177.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -52.69 -56.2 17.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.374 0.607 . . . . 63.01 111.263 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.86 -26.45 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.675 -0.693 . . . . 65.33 111.891 -177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 73.3 mtp85 -67.41 -35.38 79.15 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 122.12 -0.362 . . . . 74.21 110.338 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 86.6 mm-40 -63.56 -39.86 95.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.018 0.437 . . . . 73.13 110.396 172.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -59.2 -41.96 89.78 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.402 0.62 . . . . 53.3 110.38 172.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 CA--C 1.542 0.636 0 CA-C-N 115.398 -0.819 . . . . 64.53 111.537 176.047 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mtp . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.499 0.19 . . . . 72.14 110.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -133.53 145.3 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 CA-C-O 121.267 0.556 . . . . 72.12 112.48 -176.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.5 t -120.37 170.87 8.96 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 116.02 -0.536 . . . . 62.32 110.615 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -53.66 -39.77 65.34 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 112.052 0.389 . . . . 50.23 112.052 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.5 -43.57 79.86 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.039 0.447 . . . . 75.31 111.431 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -74.91 -31.25 61.5 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.358 -0.383 . . . . 73.14 111.924 179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.8 mt -61.28 -45.3 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.115 0.483 . . . . 74.55 110.421 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.84 -42.6 93.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.054 -0.521 . . . . 73.04 110.927 174.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.633 ' NH1' HD21 ' A' ' 13' ' ' LEU . 22.6 tpt180 -56.31 -43.67 79.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 116.043 -0.526 . . . . 64.42 111.156 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.97 -51.78 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 122.303 -0.248 . . . . 74.32 111.455 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.89 -32.78 72.23 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.987 0.422 . . . . 71.35 111.404 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' HG2' ' HE3' ' A' ' 16' ' ' LYS . 23.4 tt0 -61.59 -54.93 36.37 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.309 0.576 . . . . 55.22 110.793 173.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.633 HD21 ' NH1' ' A' ' 9' ' ' ARG . 65.1 mt -63.53 -44.82 93.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.568 -0.742 . . . . 73.53 111.483 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.83 73.27 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.288 -0.414 . . . . 74.11 110.863 177.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.13 -39.85 93.96 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.109 0.481 . . . . 63.51 111.053 175.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HE3' ' HG2' ' A' ' 12' ' ' GLU . 98.6 mttt -61.47 -38.71 88.23 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.305 -0.407 . . . . 73.32 111.204 175.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.04 -46.47 64.95 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.062 0.458 . . . . 52.25 111.488 178.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -61.7 -31.84 72.01 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.096 -0.502 . . . . 75.15 110.998 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.47 -41.71 26.9 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.383 -0.371 . . . . 64.01 111.721 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 111.91 -5.23 27.38 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 116.243 -0.435 . . . . 54.4 113.364 -178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.08 13.43 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 N-CA-C 112.612 0.597 . . . . 72.33 112.612 -175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.474 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.2 tt -84.14 128.43 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 120.992 0.425 . . . . 74.21 111.908 -178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -84.43 165.67 17.96 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.125 0.488 . . . . 60.1 111.797 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 26.1 mm-40 -56.7 -39.18 73.4 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.952 -0.567 . . . . 75.53 111.989 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -64.28 -47.4 79.7 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.41 -0.359 . . . . 72.33 111.391 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.603 ' HB3' HD22 ' A' ' 13' ' ' LEU . 9.7 mm-40 -59.33 -44.5 92.61 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.053 0.454 . . . . 72.0 110.643 175.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.474 ' HG3' HG12 ' A' ' 22' ' ' ILE . 53.6 mtpt -56.95 -46.74 81.9 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 116.091 -0.504 . . . . 65.51 112.039 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.64 -48.08 82.26 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.05 0.452 . . . . 74.11 111.684 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.88 -41.68 91.26 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.972 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.547 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 27.4 tt0 -52.17 -57.65 8.99 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.993 0.425 . . . . 63.31 111.274 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -53.87 -44.29 70.29 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.087 -0.506 . . . . 75.13 111.674 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -64.24 -51.58 62.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 120.603 0.24 . . . . 62.04 111.352 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 78.9 mt -59.74 -37.41 78.89 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 111.907 0.336 . . . . 63.33 111.907 -179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 81.4 mtp180 -59.96 -38.82 83.59 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 120.788 0.327 . . . . 74.24 110.676 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -66.77 -42.59 85.84 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.973 0.416 . . . . 75.05 110.99 173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -56.39 -31.22 63.66 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-O 121.28 0.562 . . . . 54.44 110.475 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -78.09 -40.32 38.77 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.798 -0.637 . . . . 73.43 111.055 176.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 84.2 mt -67.26 -11.74 58.27 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.707 0.632 . . . . 64.32 112.707 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -50.07 99.65 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 120.771 0.32 . . . . 73.51 111.578 173.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.99 -12.79 61.03 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 121.249 -0.501 . . . . 3.11 113.667 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -73.85 121.08 20.34 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.006 0.431 . . . . 64.34 111.563 -177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -111.22 161.56 15.87 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.192 -0.458 . . . . 72.33 110.815 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.49 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 34.0 m -83.13 95.14 8.0 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.955 0.407 . . . . 72.44 111.569 -179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.9 m -56.77 -37.44 71.1 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 112.59 0.589 . . . . 64.2 112.59 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.1 ptm -60.4 -25.53 65.99 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 120.972 0.415 . . . . 72.03 112.027 -177.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -117.73 -6.87 11.06 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.977 0.418 . . . . 72.24 111.092 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.5 tp 62.84 22.23 13.28 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.662 0.744 . . . . 72.42 110.388 -172.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.49 ' HB3' ' HB2' ' A' ' 43' ' ' SER . 33.8 tt0 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.622 -0.704 . . . . 53.4 111.829 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.493 1.684 0 CA-C-O 121.561 0.696 . . . . 33.31 110.28 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.6 tt -72.01 123.99 27.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 CA-C-N 115.535 -0.757 . . . . 51.34 112.823 -170.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.4 m -73.48 147.21 44.31 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.816 -0.629 . . . . 75.41 110.732 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -55.1 -32.56 62.1 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 112.04 0.385 . . . . 74.43 112.04 -175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.81 -40.49 80.07 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 121.083 0.468 . . . . 71.23 111.589 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HB3' HD22 ' A' ' 33' ' ' LEU . 95.5 mttt -67.07 -41.26 86.69 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 120.922 0.391 . . . . 74.13 110.657 177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 64.0 mt -57.43 -42.9 81.64 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 CA-C-O 121.123 0.487 . . . . 74.21 110.837 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.9 -42.46 76.04 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.02 0.438 . . . . 64.52 111.179 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -63.72 -38.7 92.09 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.994 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.3 mt -59.19 -41.68 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 CA-C-O 120.702 0.287 . . . . 61.43 111.295 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -59.5 -37.05 77.26 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.078 0.466 . . . . 52.42 111.018 174.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -65.51 -57.6 7.82 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.123 0.487 . . . . 75.32 111.27 175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 26' ' ' GLU . 83.1 mt -60.19 -40.11 88.89 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.926 -0.579 . . . . 73.13 111.986 -177.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -40.99 97.03 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 120.94 0.4 . . . . 75.42 111.042 177.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.48 -49.0 77.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.949 0.404 . . . . 73.44 110.958 175.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.536 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 97.2 mttt -56.89 -44.78 82.66 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.12 -0.491 . . . . 60.51 111.361 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.37 -44.8 86.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.118 0.485 . . . . 63.15 111.58 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -62.81 -34.06 76.52 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 116.055 -0.52 . . . . 62.15 111.137 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.04 -27.47 33.0 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.838 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.11 7.85 63.66 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 121.252 -0.499 . . . . 72.51 113.056 -177.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.6 27.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-O 120.96 0.41 . . . . 63.43 111.92 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 17.1 tt -106.91 141.41 22.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 CA-C-O 120.765 0.317 . . . . 73.52 111.444 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.7 p -88.1 158.77 18.48 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.429 0.633 . . . . 61.51 111.956 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 17.1 mm-40 -53.81 -37.29 63.4 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 115.659 -0.701 . . . . 61.45 111.957 178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.5 -40.97 85.18 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 116.675 -0.238 . . . . 74.24 111.522 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HB3' HD22 ' A' ' 13' ' ' LEU . 28.7 mt-10 -71.34 -34.01 70.12 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 122.156 -0.34 . . . . 73.52 111.154 174.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 59.0 mtpt -60.07 -43.3 95.54 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.066 0.46 . . . . 74.34 110.927 174.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.16 96.86 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.026 0.441 . . . . 72.44 110.912 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -62.15 -39.83 93.94 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.345 -0.389 . . . . 74.1 110.927 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 50.2 tt0 -59.06 -48.22 82.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.996 0.426 . . . . 75.01 110.701 177.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -55.76 -46.79 77.79 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.92 -0.582 . . . . 71.35 110.966 174.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -54.91 -52.49 62.75 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 115.762 -0.654 . . . . 61.43 111.623 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD22 ' HB3' ' A' ' 6' ' ' LYS . 97.0 mt -63.84 -40.69 97.2 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.067 -0.515 . . . . 73.1 111.98 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 74.5 mtp180 -63.0 -38.86 92.89 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 120.611 0.243 . . . . 74.34 111.395 179.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.623 ' O ' ' HD3' ' A' ' 39' ' ' LYS . 74.1 mm-40 -61.07 -53.19 60.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 120.725 0.297 . . . . 73.13 110.846 172.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.55 -33.2 59.76 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.342 0.591 . . . . 74.0 110.707 176.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 67.5 t80 -64.67 -51.16 63.98 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.671 -0.695 . . . . 74.25 111.077 174.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.9 mt -60.05 -36.58 77.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 116.347 -0.388 . . . . 73.11 111.595 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.623 ' HD3' ' O ' ' A' ' 35' ' ' GLN . 13.4 mptt -60.01 103.13 0.2 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.003 0.43 . . . . 64.24 111.656 177.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.27 -14.73 64.65 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 121.16 -0.543 . . . . 72.52 113.423 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 81.0 t80 -69.58 -45.14 69.33 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 121.177 0.513 . . . . 70.42 111.063 178.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -96.26 141.03 30.08 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.981 -0.554 . . . . 70.43 111.074 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.2 t -140.08 143.93 36.56 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.738 0.304 . . . . 51.3 110.964 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.1 t -85.48 99.78 11.45 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 121.155 0.503 . . . . 73.22 110.864 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 46.0 tpp -73.13 93.28 1.8 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.502 0.667 . . . . 71.14 111.285 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -114.67 -172.1 2.05 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 115.93 -0.577 . . . . 74.2 111.16 179.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' N ' HD23 ' A' ' 47' ' ' LEU . 2.5 pt? -150.48 168.51 23.97 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.896 0.379 . . . . 74.4 111.022 176.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.71 -0.662 . . . . 73.32 111.843 178.148 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 120.736 0.303 . . . . 64.44 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.3 tt -69.98 135.08 28.96 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 N-CA-C 112.376 0.51 . . . . 72.44 112.376 -178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 t -80.77 144.9 31.78 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.176 -0.466 . . . . 72.11 110.784 175.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -57.21 -23.31 46.92 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 120.693 0.282 . . . . 70.24 111.723 -179.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.93 -45.03 91.38 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.119 0.485 . . . . 42.43 111.431 174.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -70.54 -36.97 73.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.435 -0.348 . . . . 70.43 110.896 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 65.7 mt -58.95 -46.25 91.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 120.876 0.37 . . . . 63.45 111.033 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -40.0 81.55 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.161 0.505 . . . . 74.25 111.21 176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -61.45 -44.72 96.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 115.989 -0.551 . . . . 74.34 111.034 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.5 mt -57.9 -45.18 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 120.891 0.377 . . . . 64.52 110.814 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -59.32 -31.59 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 116.312 -0.404 . . . . 73.12 111.485 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -74.9 -50.63 16.23 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.94 0.4 . . . . 75.32 111.126 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.499 HD22 ' HB3' ' A' ' 26' ' ' GLU . 92.6 mt -60.96 -35.54 77.02 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 120.85 0.357 . . . . 55.45 111.2 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -45.86 85.46 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.944 0.402 . . . . 64.24 110.904 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -40.81 93.12 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.093 0.473 . . . . 62.21 110.943 175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -60.74 -39.13 87.53 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.015 -0.539 . . . . 70.22 111.164 173.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.94 95.73 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.32 -0.4 . . . . 74.14 111.232 177.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -63.19 -38.53 91.55 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.088 0.47 . . . . 65.44 110.943 176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.91 -9.59 59.23 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.296 -0.411 . . . . 72.25 111.676 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 72.89 5.31 64.54 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 121.469 -0.396 . . . . 41.32 113.909 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.5 m -89.14 -0.25 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 112.325 0.491 . . . . 64.02 112.325 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -75.27 131.52 34.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 CA-C-O 120.745 0.307 . . . . 74.15 111.451 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.488 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 72.7 p -83.67 163.5 20.24 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 121.297 0.57 . . . . 64.14 112.174 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.39 -41.79 69.65 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.722 -0.672 . . . . 62.31 111.763 -178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -65.81 -44.94 84.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.831 0.348 . . . . 71.44 111.161 179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.3 mt-10 -63.54 -33.47 75.66 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 120.772 0.32 . . . . 74.33 111.356 177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HG3' ' O ' ' A' ' 23' ' ' THR . 98.2 mttt -60.92 -49.78 76.06 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.946 0.403 . . . . 62.3 110.806 175.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.62 84.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.058 -0.519 . . . . 45.24 110.92 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.09 -46.51 88.11 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.179 -0.464 . . . . 74.5 111.377 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.0 tt0 -57.61 -44.44 85.5 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.768 0.318 . . . . 62.05 111.222 177.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -57.98 -47.71 82.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.891 0.376 . . . . 74.44 111.071 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -56.89 -49.12 76.5 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.861 -0.608 . . . . 73.33 111.59 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 98.0 mt -62.86 -33.32 75.03 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-N 116.314 -0.403 . . . . 63.43 111.815 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 18.2 mtp180 -65.4 -30.61 71.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.706 0.289 . . . . 71.0 111.233 176.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -69.04 -39.21 79.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 120.829 0.347 . . . . 71.12 110.35 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -57.75 -39.54 77.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.283 0.563 . . . . 72.21 110.252 172.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 80.0 t80 -62.07 -49.0 77.72 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.588 -0.733 . . . . 74.35 111.054 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.6 mt -66.59 -15.05 63.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 112.495 0.554 . . . . 72.5 112.495 -178.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.63 90.65 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.176 0.512 . . . . 71.31 110.76 172.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.0 -44.14 1.68 Allowed Glycine 0 CA--C 1.527 0.797 0 CA-C-N 115.863 -0.608 . . . . 64.22 112.548 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 83.3 m-85 -78.0 137.9 38.53 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.217 0.532 . . . . 74.41 112.418 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 63.54 12.28 6.32 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.712 -0.676 . . . . 74.33 112.346 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -103.93 133.15 49.39 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.099 -0.5 . . . . 75.43 110.406 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.2 t -53.33 118.79 4.09 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.201 0.524 . . . . 75.35 112.165 -176.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -82.26 67.35 8.24 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 121.482 0.658 . . . . 71.43 111.36 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.24 107.76 7.56 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.304 0.573 . . . . 73.14 112.13 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.1 tp -154.85 121.62 5.45 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.455 -0.793 . . . . 73.32 109.786 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.253 1.28 0 CA-C-O 118.678 -0.677 . . . . 61.51 112.239 -174.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptp . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.451 0.167 . . . . 75.24 111.146 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.436 HG21 ' HA ' ' A' ' 37' ' ' TYR . 12.2 tt -65.21 115.13 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.265 0.555 . . . . 73.34 111.498 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -69.33 153.0 44.3 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 116.097 -0.502 . . . . 60.1 112.092 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -56.51 -28.27 59.44 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.17 -0.468 . . . . 72.14 111.154 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.51 -42.42 99.5 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 121.047 0.451 . . . . 43.52 110.905 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.435 ' O ' HG13 ' A' ' 10' ' ' ILE . 98.2 mttt -68.31 -41.77 80.37 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.037 -0.529 . . . . 74.11 110.87 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.63 -47.07 89.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 CA-C-O 121.008 0.432 . . . . 64.25 110.941 176.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -39.94 90.2 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 120.881 0.372 . . . . 43.33 110.982 175.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.5 tpt180 -60.62 -42.64 97.28 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.249 -0.432 . . . . 70.25 110.849 175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.3 mt -57.08 -47.78 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 CA-C-N 116.525 -0.307 . . . . 72.44 110.964 174.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -57.79 -43.37 85.57 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.487 -0.324 . . . . 71.01 111.418 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.38 -53.8 51.97 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.046 0.451 . . . . 75.21 111.404 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.0 mt -62.34 -39.59 93.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.13 -0.486 . . . . 44.33 111.376 -177.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.63 -34.32 77.58 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.994 0.426 . . . . 64.24 111.03 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.31 -48.34 70.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.227 0.537 . . . . 71.13 110.287 174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -57.22 -37.22 71.93 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 115.606 -0.725 . . . . 75.52 111.197 174.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.25 72.98 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.098 -0.501 . . . . 73.21 111.268 176.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mtmm -58.91 -42.72 90.3 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.362 -0.381 . . . . 73.11 111.195 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.0 -18.73 60.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.268 0.47 . . . . 30.11 112.268 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.86 24.52 64.34 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 121.257 -0.497 . . . . 72.23 113.533 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.6 m -111.26 8.84 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 O-C-N 122.367 -0.49 . . . . 61.14 112.013 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.36 129.66 37.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 120.916 0.389 . . . . 74.42 111.531 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 50.1 p -89.65 171.98 9.28 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 112.288 0.477 . . . . 73.31 112.288 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -50.53 -59.84 3.63 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 112.369 0.507 . . . . 63.42 112.369 -176.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -51.83 -40.87 61.22 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.003 -0.544 . . . . 74.04 111.781 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.524 ' HB3' HD22 ' A' ' 13' ' ' LEU . 41.9 mt-10 -70.53 -39.34 74.1 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 62.14 111.629 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 23' ' ' THR . 57.8 mtpt -61.13 -41.52 96.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.106 0.479 . . . . 65.14 110.877 175.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.54 -42.84 86.56 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.935 -0.575 . . . . 74.42 111.149 176.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 20.5 tp10 -58.99 -43.81 91.52 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.052 -0.522 . . . . 64.34 110.662 177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -59.8 -45.85 91.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 116.348 -0.387 . . . . 73.04 111.464 177.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 6.5 tp-100 -58.83 -50.66 73.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.287 0.565 . . . . 72.3 110.682 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -50.05 -49.81 49.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.45 -0.796 . . . . 74.2 111.953 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 89.6 mt -68.3 -34.02 75.39 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.385 -0.371 . . . . 63.01 111.748 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 24.3 mtp180 -63.93 -35.87 82.08 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.695 0.283 . . . . 74.11 110.279 174.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 26.2 mm-40 -62.95 -45.44 92.46 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.939 -0.393 . . . . 72.21 109.939 172.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.585 ' HA ' ' HE2' ' A' ' 39' ' ' LYS . 21.8 mm-40 -54.13 -42.78 69.9 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.048 -0.524 . . . . 60.11 110.99 174.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HA ' HG21 ' A' ' 2' ' ' ILE . 49.2 t80 -68.46 -29.79 68.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.563 -0.744 . . . . 72.13 111.41 -179.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.2 mt -80.13 -21.62 42.96 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 112.318 0.488 . . . . 72.11 112.318 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' A' ' 36' ' ' GLU . 44.1 mtmt -63.07 90.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.053 0.454 . . . . 63.01 111.434 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.07 -8.43 45.43 Favored Glycine 0 CA--C 1.53 0.983 0 C-N-CA 121.275 -0.488 . . . . 53.53 112.981 -178.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -92.29 119.27 31.71 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.225 0.536 . . . . 74.51 111.955 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' ' 42' ' ' ARG . 51.6 mtp180 -119.01 168.68 10.58 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 115.902 -0.59 . . . . 72.13 110.132 176.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.2 m -152.79 135.5 15.33 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 112.653 0.612 . . . . 50.22 112.653 -179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -74.47 106.83 6.26 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.246 -0.433 . . . . 72.11 109.975 172.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 53.0 mtm -103.35 145.92 29.25 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 112.138 0.421 . . . . 74.15 112.138 -173.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -105.1 99.53 9.15 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.369 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -164.26 16.45 0.06 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 116.14 -0.482 . . . . 53.11 111.926 -175.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 C--O 1.255 1.346 0 CA-C-O 118.577 -0.725 . . . . 72.53 111.158 -178.241 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.919 0.39 . . . . 75.44 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.427 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 16.4 tt -99.93 141.73 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 CA-C-O 121.058 0.456 . . . . 63.53 111.699 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.4 p -108.37 161.15 15.29 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.206 -0.452 . . . . 74.24 111.123 178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -54.83 -32.66 60.73 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 120.992 0.425 . . . . 53.14 111.609 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.65 98.77 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.936 0.398 . . . . 71.24 111.338 174.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 97.5 mttt -67.71 -42.27 82.21 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.43 -0.35 . . . . 54.53 111.327 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 59.4 mt -58.68 -47.7 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 120.897 0.379 . . . . 61.54 111.402 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.61 -38.15 74.45 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.995 0.426 . . . . 65.24 111.187 175.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -63.18 -42.36 99.35 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.868 176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.0 mt -56.39 -46.58 81.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 CA-C-O 120.773 0.32 . . . . 63.5 111.051 173.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.64 -42.83 84.22 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 116.397 -0.365 . . . . 75.31 111.832 177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -59.05 -57.74 11.73 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.496 0.665 . . . . 74.3 110.791 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 26' ' ' GLU . 65.4 mt -64.02 -27.26 68.99 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.582 -0.736 . . . . 63.13 111.762 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.8 -47.6 71.57 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.056 0.455 . . . . 51.41 110.958 175.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.44 -44.62 95.61 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.062 -0.517 . . . . 54.21 110.777 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 95.6 mttt -61.34 -40.59 94.81 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.03 -0.532 . . . . 72.42 111.848 176.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.97 88.6 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.851 0.358 . . . . 52.0 111.576 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -67.0 -36.47 82.23 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.908 0.385 . . . . 75.01 111.34 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.02 -22.82 55.35 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 120.91 0.385 . . . . 74.13 111.732 177.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.72 15.68 70.03 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 121.388 -0.434 . . . . 60.01 113.517 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.9 m -102.45 15.16 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 122.398 -0.472 . . . . 74.02 112.196 -177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 16.0 tt -92.61 134.75 29.59 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-N 116.518 -0.31 . . . . 74.32 111.684 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -82.15 162.47 22.45 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-O 121.192 0.52 . . . . 63.34 112.124 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.532 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 16.2 mm-40 -57.74 -41.23 81.43 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.891 -0.595 . . . . 71.52 111.667 -178.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.62 -50.22 74.72 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.783 0.325 . . . . 71.2 111.386 174.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.557 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.7 mt-10 -61.63 -33.36 73.8 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.688 0.28 . . . . 65.3 111.525 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 52.8 mtpt -64.59 -45.01 88.82 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.082 0.468 . . . . 64.52 111.136 174.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.38 97.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.055 0.455 . . . . 74.14 110.956 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -60.76 -44.14 97.12 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.787 -0.642 . . . . 75.25 110.614 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -57.71 -43.44 85.23 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.136 -0.483 . . . . 62.41 111.284 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.525 ' HG2' ' OE1' ' A' ' 35' ' ' GLN . 53.6 tt0 -63.06 -51.17 67.75 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.892 0.377 . . . . 72.31 110.41 175.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 0.4 OUTLIER -47.59 -52.38 17.95 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.027 -0.533 . . . . 63.34 111.212 176.096 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 80.4 mt -63.53 -34.72 78.42 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 116.165 -0.47 . . . . 42.53 112.044 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 87.6 mtm180 -68.34 -34.5 76.2 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 122.266 -0.271 . . . . 75.01 111.676 178.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.525 ' OE1' ' HG2' ' A' ' 31' ' ' GLN . 1.5 mp0 -65.93 -40.85 91.76 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 121.995 -0.44 . . . . 72.11 110.253 169.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 9.0 mm-40 -54.4 -43.5 71.5 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.141 0.496 . . . . 72.1 110.432 173.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' HA ' HG21 ' A' ' 2' ' ' ILE . 78.0 t80 -65.68 -38.0 88.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.577 -0.738 . . . . 75.32 111.35 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 93.5 mt -72.56 -17.47 61.71 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.321 0.489 . . . . 71.32 112.321 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 75.0 mmtt -63.53 108.59 1.41 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.046 0.45 . . . . 74.12 110.861 177.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.98 -34.43 3.75 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 121.174 -0.536 . . . . 54.23 113.104 -176.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -59.91 -42.46 93.92 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.953 0.406 . . . . 62.41 112.023 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -74.21 -31.73 62.74 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.755 0.312 . . . . 73.0 111.494 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.8 t 57.75 26.66 13.35 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 120.824 0.345 . . . . 52.24 111.737 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.0 p 57.21 11.43 1.07 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.717 0.807 . . . . 50.31 112.633 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 13.4 tpt -87.19 129.07 35.1 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.226 -0.296 . . . . 74.43 111.165 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt 57.94 89.79 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.417 0.627 . . . . 72.3 111.831 -174.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -115.76 117.18 29.51 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.789 -0.449 . . . . 54.53 109.789 176.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 C--O 1.252 1.227 0 CA-C-O 119.045 -0.503 . . . . 64.22 111.505 -177.415 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 120.707 0.289 . . . . 71.22 110.763 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.55 121.64 12.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 121.163 0.506 . . . . 71.12 111.354 175.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 m -64.71 144.04 57.51 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.228 -0.442 . . . . 65.12 111.615 -178.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -53.98 -35.54 61.94 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.881 0.372 . . . . 75.34 111.898 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.92 -37.41 87.32 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.215 -0.448 . . . . 70.4 111.391 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 10' ' ' ILE . 99.9 mttt -64.12 -45.94 86.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.363 -0.381 . . . . 74.52 110.935 177.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 56.5 mt -57.6 -47.0 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 CA-C-O 121.036 0.446 . . . . 51.14 111.071 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.93 96.29 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.149 0.499 . . . . 61.02 111.24 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.425 ' CZ ' HD21 ' A' ' 13' ' ' LEU . 32.8 tpt180 -61.04 -37.08 81.36 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 116.035 -0.53 . . . . 71.04 111.03 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 6' ' ' LYS . 86.0 mt -58.63 -51.24 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 120.881 0.372 . . . . 73.04 111.029 175.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -58.43 -39.47 79.87 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.015 0.436 . . . . 71.34 111.63 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -64.01 -47.69 79.28 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.112 0.482 . . . . 73.3 111.068 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.554 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.4 mt -71.01 -28.66 64.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.202 -0.453 . . . . 75.24 111.878 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.01 99.85 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.093 0.473 . . . . 72.45 110.492 174.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.32 70.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 116.057 -0.52 . . . . 63.23 111.094 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -56.01 -37.38 69.09 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.018 0.437 . . . . 72.02 111.199 176.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.56 -54.47 35.53 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.242 -0.435 . . . . 74.34 111.692 178.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -67.51 -20.88 65.49 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 120.862 0.363 . . . . 64.31 111.894 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.25 -17.19 35.36 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.909 0.385 . . . . 74.32 111.361 175.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.25 17.35 79.57 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 121.486 -0.387 . . . . 45.01 113.577 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -106.76 7.62 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 O-C-N 122.513 -0.404 . . . . 54.11 112.013 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -82.33 133.46 29.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 120.997 0.427 . . . . 75.12 111.826 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 69.1 p -76.03 155.15 35.16 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.548 -0.296 . . . . 73.4 110.808 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 4.4 mt-10 -66.14 -22.63 66.38 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.007 0.432 . . . . 71.42 111.434 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -66.81 -45.37 78.54 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 121.164 0.507 . . . . 73.14 110.209 172.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.554 ' HB3' HD22 ' A' ' 13' ' ' LEU . 47.9 mt-10 -70.69 -28.39 64.72 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 116.073 -0.512 . . . . 72.31 111.158 175.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 56.0 mtpt -65.37 -38.07 88.92 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.009 0.433 . . . . 65.31 110.616 172.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.16 72.98 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.039 -0.528 . . . . 65.13 110.952 175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -61.01 -53.61 55.06 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.899 -0.591 . . . . 70.32 111.535 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.8 tt0 -55.77 -39.3 71.04 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.581 0.229 . . . . 61.55 111.437 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.437 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 52.8 tt0 -57.61 -43.9 85.1 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 120.916 0.389 . . . . 63.31 111.088 176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -60.24 -51.55 69.1 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.339 0.59 . . . . 63.34 111.028 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.4 mt -58.08 -37.72 75.02 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.616 -0.72 . . . . 70.21 111.84 -178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.465 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 80.9 mtp180 -65.33 -36.03 82.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.713 -0.221 . . . . 73.23 111.286 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 83.1 mm-40 -63.83 -45.99 87.11 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.901 0.381 . . . . 73.13 110.387 173.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -52.39 -45.56 65.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.357 0.598 . . . . 64.52 110.737 172.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -63.27 -33.72 76.12 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.175 -0.92 . . . . 70.23 112.006 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 89.6 mt -82.83 -17.84 42.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 112.912 0.708 . . . . 74.14 112.912 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -60.5 115.59 3.7 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.976 -0.453 . . . . 64.12 111.156 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.76 -28.77 12.87 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 116.149 -0.478 . . . . 44.04 112.373 -174.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -76.75 130.02 37.12 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 122.598 -0.354 . . . . 73.04 110.77 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 64.76 28.44 12.94 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 121.245 0.545 . . . . 63.44 111.588 -175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.6 t -115.92 167.33 11.05 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.171 -0.468 . . . . 65.43 111.37 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.6 m -77.81 95.63 4.75 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.977 0.417 . . . . 52.33 111.404 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 49.4 ttm -74.69 123.64 25.28 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.252 -0.431 . . . . 71.31 110.41 176.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -97.19 7.44 46.58 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.73 0.641 . . . . 73.02 112.73 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' N ' HD23 ' A' ' 47' ' ' LEU . 2.5 pt? -142.51 166.94 23.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.029 0.442 . . . . 73.45 111.419 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.258 1.522 0 CA-C-O 118.583 -0.723 . . . . 62.11 110.939 177.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.888 0.375 . . . . 74.15 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.57 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 19.3 tt -105.51 137.94 32.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 CA-C-O 121.16 0.505 . . . . 71.55 111.944 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.402 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 96.6 p -110.68 169.09 8.98 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.147 -0.479 . . . . 44.1 111.102 -178.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.64 -38.86 70.11 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 120.785 0.326 . . . . 73.4 111.176 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -44.89 95.41 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 120.958 0.409 . . . . 50.55 111.203 176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.57 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 96.7 mttt -62.65 -45.58 92.19 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 116.399 -0.364 . . . . 75.05 110.86 177.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -57.28 -51.43 69.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.131 0.491 . . . . 72.4 111.19 176.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.38 -35.74 76.42 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.185 -0.461 . . . . 72.15 111.636 179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -70.29 -39.63 74.75 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.509 -0.314 . . . . 74.24 111.191 178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.5 mt -62.22 -42.29 94.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 120.73 0.3 . . . . 73.32 111.113 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -62.25 -44.02 97.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.856 0.36 . . . . 73.32 110.943 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 11.7 tp10 -58.62 -53.16 61.45 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.989 -0.551 . . . . 64.1 111.476 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -67.19 -36.52 81.93 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.844 0.313 . . . . 74.23 111.844 -178.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -33.14 75.07 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.162 0.506 . . . . 72.33 110.818 174.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.85 -45.34 74.86 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.173 173.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 59.9 mttm -58.47 -35.4 72.12 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.034 174.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.84 -47.41 75.09 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 120.876 0.37 . . . . 64.43 111.233 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -67.26 -22.8 65.66 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-O 120.895 0.379 . . . . 61.51 111.624 176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.0 -10.88 34.7 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 64.11 111.701 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 77.55 -4.35 56.43 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 116.4 -0.364 . . . . 72.33 113.736 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.6 m -84.95 4.87 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 N-CA-C 112.822 0.675 . . . . 75.11 112.822 -174.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.0 tt -77.22 122.99 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 120.822 0.344 . . . . 71.1 111.125 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 81.3 p -81.16 165.78 21.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.013 0.435 . . . . 70.23 111.808 -178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.535 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 14.2 mm-40 -53.98 -44.58 70.92 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.102 -0.499 . . . . 73.42 111.909 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.64 -46.29 90.84 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.43 -0.35 . . . . 64.13 111.779 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.518 ' HB3' HD22 ' A' ' 13' ' ' LEU . 67.0 mm-40 -67.18 -31.52 71.98 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.753 0.311 . . . . 65.21 111.56 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' HD3' ' HA ' ' A' ' 24' ' ' GLU . 57.9 mtpt -63.04 -45.6 91.51 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.093 0.473 . . . . 72.43 110.684 174.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -39.54 94.99 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 115.979 -0.555 . . . . 43.32 111.04 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -62.11 -52.75 62.62 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.112 -0.495 . . . . 74.12 111.164 176.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -53.23 -49.06 67.61 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.362 -0.381 . . . . 53.21 111.785 178.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -56.91 -40.88 77.12 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.303 0.573 . . . . 75.45 110.915 177.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -65.51 -47.9 74.38 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.666 -0.697 . . . . 73.11 111.835 178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.16 -35.63 79.39 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.962 0.411 . . . . 62.23 111.198 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 83.9 mtt180 -69.71 -28.56 65.93 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.52 -0.309 . . . . 72.23 111.507 178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 81.2 mm-40 -61.57 -42.76 99.32 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.047 0.451 . . . . 43.42 109.882 170.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.89 -35.41 74.78 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 116.087 -0.506 . . . . 61.32 110.932 171.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -70.29 -32.7 70.59 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 116.245 -0.434 . . . . 53.11 110.776 176.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 91.6 mt -76.66 -16.49 59.53 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 112.042 0.386 . . . . 45.0 112.042 178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 31.6 mmmt -58.02 100.72 0.06 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 120.876 0.369 . . . . 64.45 111.071 176.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.95 20.08 73.93 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 121.044 -0.598 . . . . 54.1 113.02 -178.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -89.98 147.97 23.37 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.899 0.381 . . . . 75.54 111.335 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -100.57 115.87 31.17 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.767 0.317 . . . . 55.41 111.58 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.7 t -164.15 147.63 9.58 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.804 0.335 . . . . 62.1 111.491 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.4 p -148.98 167.02 26.9 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 120.735 0.303 . . . . 72.21 111.113 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 64.3 mtt -113.23 130.47 56.22 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.897 0.38 . . . . 72.32 111.497 176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.99 142.76 40.44 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.274 -0.421 . . . . 65.3 110.727 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 47' ' ' LEU . 1.8 pt? -131.89 136.12 47.18 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.326 0.584 . . . . 73.2 111.69 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.255 1.395 0 CA-C-O 118.639 -0.696 . . . . 73.02 111.206 179.598 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.154 0.502 . . . . 72.2 111.865 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.491 HG13 ' HB2' ' A' ' 6' ' ' LYS . 20.2 tt -104.92 138.75 28.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.457 0.54 . . . . 74.11 112.457 -174.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 t -122.8 -179.12 4.13 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.232 -0.44 . . . . 51.33 111.073 176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -48.93 -50.19 36.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 112.452 0.538 . . . . 44.11 112.452 -175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.41 93.55 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 112.084 0.401 . . . . 60.33 112.084 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' HG13 ' A' ' 2' ' ' ILE . 98.9 mttt -63.9 -44.3 93.37 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 116.598 -0.274 . . . . 75.15 111.284 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.3 mt -57.8 -55.95 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-O 121.154 0.502 . . . . 72.35 111.184 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.84 -35.62 71.17 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 115.992 -0.549 . . . . 65.13 111.471 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 9' ' ' ARG . 14.4 tpt180 -66.41 -40.89 89.86 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.718 -0.219 . . . . 74.22 111.413 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 76.7 mt -56.86 -45.22 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-O 121.037 0.446 . . . . 61.44 110.662 175.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -63.01 -39.54 95.08 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.293 -0.412 . . . . 75.1 111.242 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.52 -57.26 13.47 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.078 0.466 . . . . 62.11 111.021 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 26' ' ' GLU . 86.5 mt -64.86 -33.29 75.65 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.732 -0.667 . . . . 70.22 111.731 -176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.11 86.58 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 121.029 0.442 . . . . 55.03 110.751 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.31 99.13 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 54.04 111.107 175.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.709 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 94.0 mttt -58.82 -39.45 81.25 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.238 -0.437 . . . . 73.52 111.468 176.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.22 80.84 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.926 0.393 . . . . 64.43 111.118 176.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -62.1 -31.02 71.42 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.912 -0.585 . . . . 71.44 111.053 176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.98 -15.52 36.26 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.254 -0.43 . . . . 51.23 111.935 176.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.44 6.04 83.32 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 121.517 -0.373 . . . . 53.41 113.644 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.4 m -89.12 -4.25 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-O 120.958 0.409 . . . . 74.34 112.004 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.709 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 14.8 tt -79.85 145.54 9.1 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.003 0.43 . . . . 74.31 111.611 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 71.2 p -95.67 151.84 18.99 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.399 -0.364 . . . . 71.13 111.022 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -58.82 -26.53 64.23 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 111.944 0.35 . . . . 74.33 111.944 -177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -59.28 -46.66 87.93 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.313 0.578 . . . . 72.25 110.763 173.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.529 ' HB3' HD22 ' A' ' 13' ' ' LEU . 38.7 mt-10 -69.49 -33.61 73.11 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.829 -0.623 . . . . 75.13 111.008 177.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 31' ' ' GLN . 55.5 mtpt -63.55 -45.68 89.42 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.739 0.304 . . . . 72.55 110.955 177.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.7 80.43 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.143 0.497 . . . . 44.34 110.888 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 10.2 tp10 -61.72 -48.62 79.94 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.137 -0.483 . . . . 72.54 110.644 174.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 10.5 tt0 -55.1 -38.95 68.8 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.155 -0.475 . . . . 64.45 111.157 177.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 27' ' ' LYS . 76.7 mt-30 -55.78 -53.14 60.27 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.922 0.391 . . . . 73.31 110.452 175.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -52.11 -47.23 65.41 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.181 0.515 . . . . 74.14 111.049 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 74.1 mt -61.75 -40.51 95.39 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.755 -0.657 . . . . 73.53 111.628 -179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.534 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 77.6 mtp180 -62.44 -44.69 95.8 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.575 0.226 . . . . 64.25 111.085 179.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 2.4 mp0 -63.68 -35.3 80.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.749 0.309 . . . . 75.21 111.333 176.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -62.84 -33.4 75.16 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.173 0.511 . . . . 71.23 110.619 172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.402 ' HD1' HD13 ' A' ' 2' ' ' ILE . 86.9 t80 -75.09 -34.91 61.79 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.464 -0.789 . . . . 75.31 111.154 177.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 85.5 mt -75.56 -21.68 57.67 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.362 0.504 . . . . 73.42 112.362 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 35' ' ' GLN . 68.1 mttm -58.52 91.85 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.081 0.467 . . . . 74.23 111.496 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.04 -1.87 57.88 Favored Glycine 0 CA--C 1.528 0.902 0 CA-C-N 116.091 -0.504 . . . . 51.43 112.967 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -85.61 152.82 22.83 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 120.875 0.369 . . . . 72.11 111.212 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.9 ptt85 -56.08 -35.71 67.28 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.7 1.0 . . . . 73.32 113.7 -176.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.9 p -83.52 85.29 7.28 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.641 -0.662 . . . . 54.15 110.876 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.1 t -87.19 -54.4 4.33 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 112.36 0.504 . . . . 52.02 112.36 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 26.2 ttt 54.63 53.88 10.03 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 121.859 0.837 . . . . 73.21 110.367 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -75.49 156.16 35.45 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 115.459 -0.792 . . . . 75.54 111.822 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 47' ' ' LEU . 6.8 mp -76.12 148.92 37.51 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.066 0.46 . . . . 72.42 111.681 -178.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.251 1.162 0 CA-C-O 118.945 -0.55 . . . . 61.55 111.628 -179.506 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 120.687 0.28 . . . . 52.33 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -81.52 129.62 37.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 120.998 0.428 . . . . 74.32 111.256 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.1 p -72.89 149.36 43.54 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 121.093 0.473 . . . . 74.55 111.715 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -61.89 -20.35 63.65 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 116.301 -0.408 . . . . 74.0 111.395 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.02 -47.65 79.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.053 0.454 . . . . 72.12 110.828 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.504 ' O ' HG13 ' A' ' 10' ' ' ILE . 79.5 mttt -62.05 -45.19 94.66 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.269 -0.423 . . . . 74.04 110.856 174.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.1 mt -57.6 -42.59 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 116.31 -0.405 . . . . 71.31 111.468 177.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.6 -46.16 91.29 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.099 0.476 . . . . 64.22 110.854 176.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -58.54 -39.14 79.38 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 115.868 -0.606 . . . . 74.42 110.926 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 6' ' ' LYS . 75.1 mt -61.25 -47.49 93.24 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 116.51 -0.314 . . . . 74.33 111.329 176.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -60.93 -43.82 98.07 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.149 0.499 . . . . 71.02 111.147 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.84 -53.88 52.79 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.913 -0.585 . . . . 64.34 111.429 177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.503 HD23 ' HD2' ' A' ' 16' ' ' LYS . 83.0 mt -65.93 -28.95 69.31 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.188 -0.46 . . . . 72.42 111.8 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.15 -46.85 84.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 120.962 0.41 . . . . 64.5 111.02 174.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.05 -41.81 85.85 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.051 -0.522 . . . . 72.42 111.188 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' HD2' HD23 ' A' ' 13' ' ' LEU . 88.9 mttt -57.51 -39.98 77.71 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.855 0.36 . . . . 62.24 111.438 175.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.92 85.47 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.359 -0.382 . . . . 61.21 111.452 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -60.64 -42.35 96.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.215 0.531 . . . . 74.42 111.02 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.67 -21.04 59.63 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.071 -0.513 . . . . 72.31 111.798 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.65 15.72 77.22 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 121.48 -0.391 . . . . 60.42 113.668 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -102.74 11.33 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-O 121.133 0.492 . . . . 71.4 111.866 -177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 15.0 tt -87.92 132.06 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.382 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 60.6 p -77.76 159.98 28.7 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.043 0.449 . . . . 70.04 111.556 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -56.82 -42.16 79.1 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.099 -0.501 . . . . 70.05 111.219 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -55.28 -52.45 63.4 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.178 -0.465 . . . . 75.21 111.51 174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HB3' HD22 ' A' ' 13' ' ' LEU . 46.8 mt-10 -61.3 -35.22 76.75 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 116.216 -0.447 . . . . 71.11 111.662 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -63.71 -55.85 20.18 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 122.29 -0.256 . . . . 74.43 110.999 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.07 -37.57 69.48 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.095 0.474 . . . . 51.41 111.201 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 41.0 tt0 -63.47 -52.5 61.08 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.989 -0.551 . . . . 73.45 111.086 176.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.516 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 9.2 tt0 -56.52 -42.92 79.22 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.566 0.222 . . . . 73.11 111.005 176.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.451 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 55.8 mt-30 -57.0 -45.93 82.64 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 120.613 0.244 . . . . 65.43 110.668 177.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -59.39 -46.84 87.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.901 0.381 . . . . 72.1 111.358 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 70.6 mt -59.7 -38.98 83.09 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.822 0.344 . . . . 74.03 111.088 178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 83.2 mtp180 -63.35 -37.72 88.35 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.939 0.4 . . . . 74.11 110.462 175.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 84.2 mm-40 -63.0 -43.24 99.32 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.009 0.433 . . . . 64.25 110.796 174.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -65.74 -29.94 70.53 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 116.291 -0.413 . . . . 64.42 111.229 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -68.02 -34.81 77.2 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.085 0.469 . . . . 54.43 110.722 171.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.545 ' HA ' ' HB3' ' A' ' 41' ' ' PHE . 95.4 mt -77.35 -20.3 55.04 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 112.472 0.545 . . . . 64.12 112.472 179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.32 104.01 0.29 Allowed 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 120.96 0.409 . . . . 75.41 111.021 176.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 92.29 -11.01 73.15 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-N 116.34 -0.391 . . . . 70.52 112.881 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.545 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . 72.5 t80 -80.22 95.5 6.31 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.273 0.558 . . . . 73.33 111.763 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 63.7 mtm180 -117.01 100.7 7.93 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.145 -0.687 . . . . 71.05 109.145 174.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.7 p 61.62 -73.55 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.362 0.665 . . . . 62.32 109.615 -165.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.6 m 40.78 28.79 0.06 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 114.354 1.242 . . . . 62.12 114.354 168.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 20.3 mmt -81.23 108.84 15.21 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.058 -0.401 . . . . 74.44 111.654 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -127.6 105.12 8.27 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.197 0.522 . . . . 72.34 110.571 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -99.92 95.41 6.87 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.938 0.399 . . . . 61.34 110.261 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 C--O 1.253 1.269 0 CA-C-O 118.357 -0.83 . . . . 72.32 111.904 -179.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.692 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 N-CA-C 110.435 -0.209 . . . . 51.33 110.435 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.532 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 13.2 tt -81.35 114.68 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 CA-C-O 121.205 0.526 . . . . 72.43 111.085 176.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 m -61.71 143.9 55.46 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.193 -0.458 . . . . 64.22 111.237 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -53.08 -36.45 60.68 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.181 0.437 . . . . 74.5 112.181 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.26 -38.05 79.13 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.089 0.471 . . . . 74.43 111.251 175.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' ' 10' ' ' ILE . 64.4 mttp -69.06 -39.35 79.17 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.25 -0.432 . . . . 74.34 110.831 177.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 66.1 mt -58.86 -47.8 88.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 121.073 0.463 . . . . 64.04 110.695 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.74 -35.56 80.18 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.16 -0.473 . . . . 23.33 111.104 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -63.69 -42.31 98.01 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.102 -0.499 . . . . 71.52 110.914 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 6' ' ' LYS . 71.2 mt -58.97 -45.86 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-O 120.735 0.302 . . . . 65.31 111.035 177.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -59.39 -41.7 90.01 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.049 0.452 . . . . 52.23 111.315 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.543 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 13.1 tp10 -63.85 -52.08 61.71 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 116.06 -0.518 . . . . 72.34 111.536 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 26' ' ' GLU . 93.2 mt -64.22 -43.53 94.68 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-O 120.795 0.331 . . . . 72.43 111.393 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -58.85 -39.83 82.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.081 0.467 . . . . 62.54 110.707 176.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.82 98.04 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.016 0.436 . . . . 75.3 110.815 174.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.543 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 62.9 mttm -60.12 -35.89 76.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.854 0.359 . . . . 71.22 110.768 174.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.83 -44.35 81.34 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.101 0.476 . . . . 74.24 111.127 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 14' ' ' ALA . 28.0 mtpp -64.64 -26.89 68.58 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.053 -0.521 . . . . 65.11 111.083 176.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.32 -28.25 23.82 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.167 -0.469 . . . . 61.4 111.537 175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.71 7.56 61.43 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 116.422 -0.354 . . . . 62.41 113.422 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.12 -0.25 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 N-CA-C 112.771 0.656 . . . . 62.22 112.771 -175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.453 HG12 ' HG3' ' A' ' 27' ' ' LYS . 18.0 tt -76.13 124.07 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 CA-C-O 121.339 0.59 . . . . 75.21 112.286 -175.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.451 ' OG1' ' HG2' ' A' ' 26' ' ' GLU . 58.5 p -79.32 160.28 26.84 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.011 0.434 . . . . 74.1 111.88 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -55.7 -33.51 64.24 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.966 -0.561 . . . . 55.03 111.629 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -67.5 -48.71 66.3 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 116.294 -0.412 . . . . 72.13 110.991 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HB3' HD22 ' A' ' 13' ' ' LEU . 36.7 mm-40 -60.88 -37.8 83.44 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 120.912 0.387 . . . . 73.05 110.774 175.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.453 ' HG3' HG12 ' A' ' 22' ' ' ILE . 57.2 mtpt -62.55 -40.33 96.48 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.276 -0.42 . . . . 54.42 111.461 175.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.21 -48.74 77.02 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.917 0.389 . . . . 62.24 111.116 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 46.5 tp10 -61.3 -41.28 96.72 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.3 -0.409 . . . . 72.12 110.481 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.426 ' HG2' ' CZ ' ' A' ' 34' ' ' ARG . 29.2 tt0 -60.91 -38.55 86.15 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.407 -0.361 . . . . 65.22 111.462 176.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 29.0 tt0 -61.59 -51.87 66.77 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.993 -0.373 . . . . 75.31 109.993 174.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -49.63 -56.79 8.76 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.522 -0.763 . . . . 70.0 111.969 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 79.4 mt -57.66 -38.97 76.01 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 116.307 -0.406 . . . . 44.42 111.414 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.457 ' HA ' ' HB3' ' A' ' 37' ' ' TYR . 85.7 mtm180 -70.42 -24.21 62.88 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 111.876 0.324 . . . . 64.14 111.876 178.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 25.8 mm-40 -63.1 -47.17 83.99 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 109.774 -0.454 . . . . 73.43 109.774 172.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.532 ' HB3' ' HB ' ' A' ' 2' ' ' ILE . 64.4 mm-40 -62.11 -41.57 98.35 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.831 -0.622 . . . . 71.43 111.117 172.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.457 ' HB3' ' HA ' ' A' ' 34' ' ' ARG . 57.8 t80 -61.69 -37.62 84.79 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.848 -0.614 . . . . 75.14 111.619 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 91.6 mt -81.27 -78.1 0.19 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.227 0.454 . . . . 70.53 112.227 -178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 51.33 36.19 15.67 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 120.935 0.397 . . . . 72.4 111.551 -175.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.44 3.76 53.24 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 121.355 -0.45 . . . . 44.32 113.665 -177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.463 ' HD2' ' HG2' ' A' ' 42' ' ' ARG . 76.4 t80 -53.4 -50.4 65.24 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.981 0.512 . . . . 71.13 111.557 178.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HG2' ' HD2' ' A' ' 41' ' ' PHE . 16.2 ptp180 -171.19 150.98 3.07 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.324 -0.398 . . . . 72.43 110.914 175.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 56.4 p -137.6 68.95 1.4 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.212 0.53 . . . . 43.53 111.078 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.4 p -78.2 155.92 30.09 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.141 -0.481 . . . . 73.13 111.393 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.609 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 88.0 mtp 63.76 9.74 4.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.141 -0.482 . . . . 52.2 112.03 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 47' ' ' LEU . 84.0 tttt -68.29 108.52 3.23 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.75 -0.463 . . . . 62.11 109.75 175.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 ' HB3' ' O ' ' A' ' 46' ' ' LYS . 60.3 tp 76.05 -16.12 0.64 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.136 0.575 . . . . 75.42 111.792 -174.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.609 ' HB2' ' HA ' ' A' ' 45' ' ' MET . 38.3 mt-10 . . . . . 0 C--O 1.256 1.395 0 CA-C-O 118.707 -0.663 . . . . 70.34 111.736 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 121.079 0.466 . . . . 54.34 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.624 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 16.1 tt -112.35 141.81 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-O 121.268 0.556 . . . . 72.42 111.93 -179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -131.17 -179.84 5.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.25 -0.432 . . . . 71.1 110.901 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -55.23 -38.05 67.98 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.501 0.556 . . . . 73.01 112.501 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.99 -50.08 74.83 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 120.63 0.252 . . . . 63.13 111.565 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.624 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 92.8 mttt -57.94 -42.96 85.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.509 0.195 . . . . 74.54 111.296 176.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.7 mt -59.63 -47.49 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 CA-C-O 120.842 0.353 . . . . 70.2 111.204 177.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.68 -39.61 81.18 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 121.116 0.484 . . . . 72.32 111.037 176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.1 tpt180 -63.63 -42.47 98.15 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.984 -0.553 . . . . 75.22 111.213 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 6' ' ' LYS . 73.2 mt -60.07 -48.97 85.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 120.702 0.287 . . . . 60.15 111.14 177.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -59.9 -40.37 88.56 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.827 0.346 . . . . 73.44 111.521 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.68 -52.22 65.22 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.139 0.495 . . . . 60.41 111.191 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 26' ' ' GLU . 95.0 mt -63.26 -32.22 73.57 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.327 -0.397 . . . . 72.32 111.477 177.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 18' ' ' LYS . . . -63.94 -45.97 86.78 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.013 0.435 . . . . 71.54 110.778 176.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.7 98.12 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.211 -0.449 . . . . 64.51 111.053 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HD2' HD23 ' A' ' 13' ' ' LEU . 65.8 mttm -58.64 -37.94 77.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 120.889 0.376 . . . . 74.41 111.265 174.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.63 -39.51 88.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.375 -0.375 . . . . 73.25 111.288 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' NZ ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 mtpm? -63.36 -42.17 98.87 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.17 0.51 . . . . 73.45 111.076 176.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.05 -21.39 56.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.14 -0.482 . . . . 73.42 111.732 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.25 29.05 46.81 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 121.334 -0.46 . . . . 64.4 113.189 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 33.1 m -111.08 -0.2 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 N-CA-C 112.464 0.542 . . . . 70.43 112.464 -177.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.8 tt -82.75 133.34 29.32 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 N-CA-C 112.015 0.376 . . . . 70.23 112.015 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.2 p -85.65 168.66 14.21 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.255 0.55 . . . . 65.04 112.286 177.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -65.4 -31.55 72.71 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 116.026 -0.534 . . . . 51.34 111.894 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -67.35 -45.54 76.03 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 120.996 0.427 . . . . 72.11 111.004 176.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HB3' HD22 ' A' ' 13' ' ' LEU . 8.3 mm-40 -61.36 -42.91 99.47 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 121.202 0.525 . . . . 75.23 110.643 175.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -59.57 -41.85 91.15 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 115.899 -0.591 . . . . 63.2 111.283 174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 32' ' ' LYS . . . -59.34 -42.83 92.41 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 116.345 -0.389 . . . . 71.1 110.917 176.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -63.38 -45.8 89.45 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.403 -0.362 . . . . 75.24 110.819 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 35.4 tt0 -53.8 -46.01 70.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.908 0.385 . . . . 72.2 110.818 176.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 -53.48 -52.8 58.36 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.074 0.464 . . . . 71.35 111.222 175.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 28' ' ' ALA . 88.6 mttt -58.56 -43.53 89.38 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.861 -0.608 . . . . 61.44 111.597 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.28 -38.69 91.93 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.294 -0.412 . . . . 65.44 111.165 177.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 62.4 mtp85 -65.64 -35.49 80.95 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.318 -0.401 . . . . 74.34 111.135 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.491 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 30.4 mm-40 -64.64 -41.14 96.35 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.872 0.368 . . . . 72.13 110.314 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.25 -36.81 81.02 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 116.277 -0.42 . . . . 70.11 110.957 172.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 85.0 t80 -66.61 -32.48 73.85 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.118 -0.492 . . . . 52.53 111.122 176.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 95.3 mt -76.79 -23.24 52.87 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.397 -0.365 . . . . 62.15 111.841 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 32.2 mmmt -56.53 106.85 0.32 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.011 0.434 . . . . 74.42 111.383 178.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.72 -6.29 54.63 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.205 -0.521 . . . . 64.35 113.392 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 82.8 t80 -66.94 -46.67 74.03 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 117.15 0.475 . . . . 63.4 111.013 179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -107.96 178.56 4.48 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 116.411 -0.359 . . . . 72.22 111.078 177.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.8 t -80.75 131.15 35.4 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 121.066 0.46 . . . . 65.53 111.896 -179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 53.4 m -96.48 97.01 9.08 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.058 0.456 . . . . 74.42 110.698 178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.9 mmt -92.1 138.45 31.52 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.453 0.538 . . . . 75.03 112.453 -174.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -85.61 5.01 33.64 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.065 -0.516 . . . . 65.34 110.831 174.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 47' ' ' LEU . 1.3 pt? -119.71 152.31 37.37 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.775 -0.648 . . . . 61.31 110.41 177.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.252 1.223 0 CA-C-O 118.348 -0.834 . . . . 74.01 112.181 -175.327 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.1 mmt . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 120.703 0.287 . . . . 70.41 110.746 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.569 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 18.5 tt -92.33 122.07 43.47 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-O 121.422 0.629 . . . . 71.14 112.57 -176.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -99.06 168.05 10.33 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 115.961 -0.563 . . . . 71.45 110.98 175.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -59.32 -30.78 68.6 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 112.177 0.436 . . . . 70.53 112.177 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.97 93.14 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.922 0.391 . . . . 53.33 111.206 176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.569 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 98.8 mttt -66.52 -43.58 84.84 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.253 -0.43 . . . . 74.43 110.66 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 62.5 mt -57.68 -45.74 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 CA-C-O 121.098 0.475 . . . . 75.45 111.01 176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.91 -43.07 85.94 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.2 -0.454 . . . . 40.11 111.541 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 23.1 tpt180 -62.8 -41.76 99.42 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.461 -0.336 . . . . 75.41 111.021 177.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 6' ' ' LYS . 67.5 mt -58.26 -52.81 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 CA-C-O 120.564 0.221 . . . . 73.53 111.532 178.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -55.82 -42.02 75.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 120.85 0.357 . . . . 62.32 111.354 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.479 ' HG2' ' HE2' ' A' ' 16' ' ' LYS . 36.6 tt0 -61.84 -47.0 87.01 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.973 0.416 . . . . 71.31 111.222 177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 9' ' ' ARG . 68.5 mt -63.75 -29.56 70.76 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.451 -0.341 . . . . 75.31 111.285 177.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.15 80.04 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.221 0.534 . . . . 73.13 110.792 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.22 -48.91 60.67 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.083 0.468 . . . . 24.14 110.725 173.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HD2' HD23 ' A' ' 13' ' ' LEU . 67.9 mttm -57.89 -36.53 72.55 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.96 -0.563 . . . . 55.13 111.717 176.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.5 -51.67 64.58 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.993 0.425 . . . . 71.4 111.102 179.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm -61.22 -40.41 93.9 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 116.218 -0.446 . . . . 73.31 111.426 176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.97 -20.55 60.31 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 111.946 0.35 . . . . 71.33 111.946 178.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.54 5.23 89.69 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 121.288 -0.482 . . . . 64.33 113.379 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.8 m -93.48 12.93 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 112.271 0.471 . . . . 44.13 112.271 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 tt -81.62 129.97 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 120.922 0.391 . . . . 73.42 111.404 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.486 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 66.4 p -81.79 164.77 21.44 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.14 0.495 . . . . 74.12 112.121 -178.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -55.44 -42.81 74.7 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.824 -0.626 . . . . 63.0 111.199 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -60.58 -47.31 86.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.792 -0.64 . . . . 70.51 111.276 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' CD ' HH21 ' A' ' 9' ' ' ARG . 71.6 mm-40 -64.4 -31.62 72.9 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 116.539 -0.3 . . . . 74.23 111.654 178.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HG3' ' O ' ' A' ' 23' ' ' THR . 99.5 mttt -64.98 -48.47 73.91 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.018 0.437 . . . . 62.32 111.063 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.42 91.93 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.223 -0.444 . . . . 73.45 111.138 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -63.77 -36.19 83.05 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.268 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -57.39 -47.82 80.7 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 121.016 0.436 . . . . 64.44 110.679 176.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 46.9 mt-30 -60.82 -50.06 74.98 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.016 -0.538 . . . . 55.02 110.588 175.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -52.66 -44.26 66.04 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 115.357 -0.838 . . . . 63.32 111.864 177.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.1 mt -65.81 -41.56 91.75 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.918 0.389 . . . . 74.43 111.369 176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.467 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 18.0 mtp180 -66.12 -28.23 68.65 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.527 -0.306 . . . . 64.03 111.643 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 29.7 mm-40 -63.86 -42.86 97.44 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.091 0.472 . . . . 63.35 109.855 172.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.89 -37.18 76.0 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.78 -0.645 . . . . 74.13 111.211 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 t80 -69.76 -28.22 65.59 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 116.146 -0.479 . . . . 53.22 111.304 176.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 93.0 mt -82.2 -17.63 45.49 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.069 0.396 . . . . 71.13 112.069 179.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -57.74 95.78 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 120.927 0.394 . . . . 73.4 111.398 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.18 2.14 71.47 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 121.352 -0.452 . . . . 73.42 113.604 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.9 110.66 21.9 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 122.464 -0.433 . . . . 75.11 111.227 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -161.33 178.35 9.28 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.019 0.437 . . . . 61.12 111.818 -177.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.4 t -108.54 122.29 46.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 116.357 -0.383 . . . . 62.24 110.59 173.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.6 m -147.61 152.61 38.2 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 120.872 0.368 . . . . 71.44 111.737 -178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 80.4 mtp -81.51 157.88 24.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.0 0.429 . . . . 54.23 111.47 178.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -77.6 89.4 3.91 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.104 0.478 . . . . 74.43 111.781 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.4 mt -83.69 94.52 8.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.395 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.253 1.267 0 CA-C-N 116.155 -0.475 . . . . 65.43 112.031 -178.302 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.4 ptp . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 120.463 0.173 . . . . 72.03 110.909 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.673 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 13.6 tt -154.93 114.2 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.377 0.608 . . . . 71.42 112.265 -179.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -107.49 -176.83 3.18 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.173 -0.467 . . . . 53.02 111.367 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -53.62 -39.1 64.67 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.267 0.839 . . . . 71.53 113.267 -174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.79 84.22 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.088 0.47 . . . . 74.13 111.907 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.673 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 56.0 mttp -70.2 -39.05 75.41 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 120.875 0.369 . . . . 72.51 111.218 176.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.2 mt -63.36 -47.59 91.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.896 0.379 . . . . 71.12 110.947 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.87 -33.4 71.77 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.159 0.504 . . . . 74.53 111.092 175.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 24.4 tpt180 -61.79 -49.09 77.76 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.399 173.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 6' ' ' LYS . 69.4 mt -57.25 -47.69 83.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 CA-C-N 116.555 -0.293 . . . . 75.13 111.168 176.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -55.29 -51.2 67.43 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.948 0.404 . . . . 74.42 111.47 178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 13.4 tp10 -56.94 -49.31 76.02 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 121.082 0.467 . . . . 64.44 110.656 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD22 ' HB3' ' A' ' 26' ' ' GLU . 84.5 mt -62.55 -32.49 73.47 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 116.14 -0.482 . . . . 72.51 111.675 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.87 94.89 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.161 0.505 . . . . 70.13 111.182 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.33 -49.33 76.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.139 -0.482 . . . . 65.14 111.093 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.9 mtpm? -59.04 -35.69 73.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.115 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -54.27 38.23 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.406 -0.361 . . . . 52.01 111.368 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -60.52 -31.56 70.63 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 120.956 0.408 . . . . 74.43 111.679 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.98 -12.93 58.09 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 111.898 0.333 . . . . 73.04 111.898 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.18 -1.54 88.52 Favored Glycine 0 CA--C 1.528 0.88 0 C-N-CA 121.298 -0.477 . . . . 72.23 113.12 178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.69 28.46 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 CA-C-O 121.404 0.621 . . . . 75.31 112.044 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.1 tt -101.18 135.18 38.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 CA-C-O 120.872 0.367 . . . . 72.03 110.791 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.486 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 31.9 p -84.76 161.12 20.11 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.101 0.476 . . . . 74.23 111.41 -179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -60.25 -34.78 74.19 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 116.103 -0.498 . . . . 73.25 111.17 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.26 -47.35 73.99 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 60.25 110.962 175.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HB3' HD22 ' A' ' 13' ' ' LEU . 52.1 mt-10 -57.36 -41.06 79.39 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.924 0.392 . . . . 73.34 111.388 176.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' O ' ' HG2' ' A' ' 31' ' ' GLN . 53.4 mtpt -61.63 -47.46 85.33 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.465 -0.334 . . . . 74.22 110.946 176.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.37 -43.98 84.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 120.948 0.404 . . . . 65.31 111.305 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -61.34 -47.4 86.09 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.946 -0.57 . . . . 53.24 111.218 175.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.496 ' HG2' ' HD2' ' A' ' 34' ' ' ARG . 36.4 tt0 -55.69 -50.69 69.6 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.264 -0.425 . . . . 74.34 111.006 178.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 27' ' ' LYS . 13.3 mm100 -55.29 -41.9 72.93 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 121.203 0.525 . . . . 74.2 111.089 178.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -59.93 -51.0 71.58 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.9 -0.591 . . . . 74.54 111.002 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.01 -30.97 71.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.991 -0.55 . . . . 75.23 111.844 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.496 ' HD2' ' HG2' ' A' ' 30' ' ' GLN . 62.9 mtp180 -65.34 -43.4 91.03 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 120.833 0.349 . . . . 75.32 111.056 176.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -64.86 -36.37 84.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 120.995 0.426 . . . . 64.13 110.966 176.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.3 -39.85 85.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.294 -0.412 . . . . 63.22 111.45 173.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -68.14 -42.23 80.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.164 -0.471 . . . . 73.24 111.705 -178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 41' ' ' PHE . 96.7 mt -80.22 -61.05 2.1 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.088 0.403 . . . . 73.4 112.088 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm 61.23 86.37 0.11 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.061 0.458 . . . . 73.12 111.807 -173.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.97 -34.59 3.71 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 120.855 -0.688 . . . . 65.23 114.242 176.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.501 ' HB2' ' HB3' ' A' ' 38' ' ' LEU . 22.2 m-85 -56.81 130.31 45.1 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 117.108 0.454 . . . . 74.11 112.049 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 41' ' ' PHE . 48.1 mtt85 72.06 -56.97 0.63 Allowed 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 113.057 0.762 . . . . 70.32 113.057 177.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.4 p -61.6 -33.41 73.85 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 122.068 -0.395 . . . . 74.1 111.588 -179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 33.4 t 59.42 18.61 6.98 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.666 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.4 tpt -70.25 126.81 30.72 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.36 -0.382 . . . . 74.52 111.463 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' LYS . 13.2 mptt -84.88 42.62 0.94 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.836 0.351 . . . . 65.33 111.627 178.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -70.27 84.69 0.56 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 121.394 0.616 . . . . 55.3 110.529 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 . . . . . 0 C--O 1.255 1.371 0 CA-C-O 118.696 -0.669 . . . . 54.53 111.418 -174.569 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.1 tpt . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.858 0.361 . . . . 71.33 111.517 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.42 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 9.8 tp -67.25 147.81 12.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 CA-C-O 121.175 0.512 . . . . 73.2 112.021 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.428 ' H ' ' HB2' ' A' ' 6' ' ' LYS . 86.9 p -136.59 165.13 26.6 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 116.33 -0.395 . . . . 71.03 110.433 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -60.71 -35.64 76.84 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.111 0.481 . . . . 54.5 110.512 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.55 -43.65 96.46 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.125 -0.489 . . . . 62.14 111.196 174.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.428 ' HB2' ' H ' ' A' ' 3' ' ' SER . 67.9 mttm -62.15 -44.32 96.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 116.512 -0.313 . . . . 72.24 111.302 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -59.91 -42.39 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-O 120.95 0.405 . . . . 73.35 110.684 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.25 85.91 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.05 0.452 . . . . 73.4 110.915 174.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -63.64 -35.51 80.78 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.215 -0.448 . . . . 75.45 111.043 176.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.54 -55.97 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-O 120.607 0.242 . . . . 74.1 111.116 174.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -55.52 -36.94 67.27 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.946 0.403 . . . . 55.43 111.225 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.489 ' HG3' ' HD2' ' A' ' 16' ' ' LYS . 10.4 tp10 -65.77 -63.29 1.12 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.007 -0.542 . . . . 73.22 111.248 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 26' ' ' GLU . 75.4 mt -57.09 -39.45 75.04 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.279 0.474 . . . . 71.34 112.279 -177.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.74 -44.49 90.52 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.225 0.536 . . . . 72.52 110.908 176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.39 -41.16 96.82 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.105 -0.498 . . . . 42.4 110.963 175.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HD2' ' HG3' ' A' ' 12' ' ' GLU . 7.6 mtpm? -63.85 -31.78 73.07 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.137 -0.483 . . . . 64.44 111.104 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.18 -41.83 73.23 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.905 0.383 . . . . 73.34 110.724 174.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -59.94 -43.12 95.17 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 116.069 -0.514 . . . . 74.44 111.171 175.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.97 -10.95 59.65 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.132 -0.485 . . . . 74.2 112.191 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.33 18.21 80.02 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.232 -0.508 . . . . 53.52 113.458 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.4 m -103.44 23.99 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.245 0.545 . . . . 74.02 111.778 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -99.07 132.08 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 CA-C-O 120.978 0.418 . . . . 74.24 111.115 177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.7 p -91.54 166.51 12.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 120.867 0.365 . . . . 64.31 111.96 -178.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -52.93 -46.31 68.03 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 116.308 -0.405 . . . . 73.31 111.905 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -58.6 -48.22 81.69 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 116.31 -0.404 . . . . 74.35 110.729 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.527 ' HB3' HD22 ' A' ' 13' ' ' LEU . 48.4 mt-10 -61.92 -40.23 94.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.352 -0.385 . . . . 75.54 111.833 178.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 23' ' ' THR . 59.4 mtpt -61.13 -39.41 89.92 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 120.947 0.403 . . . . 71.34 110.73 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.74 -43.59 92.86 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.132 -0.485 . . . . 72.13 111.252 177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 18.8 tp10 -66.92 -41.33 87.24 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.688 -0.233 . . . . 75.42 111.303 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.53 ' HA ' HD12 ' A' ' 33' ' ' LEU . 10.0 tt0 -57.68 -39.56 77.41 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 121.098 0.475 . . . . 74.32 111.283 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -59.46 -53.28 59.98 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.498 0.666 . . . . 73.2 109.989 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.8 tttm -56.76 -35.76 69.01 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 115.136 -0.938 . . . . 71.21 111.946 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 30' ' ' GLN . 92.3 mt -67.35 -44.71 78.35 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.064 0.459 . . . . 73.13 111.601 177.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 68.1 mtm180 -67.66 -36.12 80.13 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.297 -0.411 . . . . 73.11 111.505 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -62.85 -31.48 72.51 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.059 0.456 . . . . 74.41 111.035 171.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -71.38 -41.19 69.99 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.13 0.49 . . . . 73.15 110.973 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -64.72 -34.11 77.54 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.777 -0.647 . . . . 61.42 111.298 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 43' ' ' SER . 95.6 mt -87.26 -59.51 2.23 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.178 -0.465 . . . . 63.04 111.891 179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.482 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER 56.57 61.94 2.48 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 121.374 0.607 . . . . 73.42 111.134 -174.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.75 -28.53 13.74 Favored Glycine 0 CA--C 1.525 0.705 0 CA-C-N 116.162 -0.472 . . . . 74.44 113.539 179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.01 161.09 27.41 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 117.501 0.651 . . . . 73.42 111.964 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -94.93 129.63 41.88 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.092 -0.503 . . . . 74.25 111.932 -176.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 38' ' ' LEU . 60.4 p -89.89 68.77 7.43 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.114 0.483 . . . . 64.14 111.021 176.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.6 p -91.12 111.27 22.67 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.077 -0.51 . . . . 43.13 111.252 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.7 mmt -92.8 155.31 17.73 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.25 0.548 . . . . 73.23 112.443 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -84.81 -6.27 59.35 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.132 0.492 . . . . 63.3 111.4 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD13 ' N ' ' A' ' 48' ' ' GLU . 1.9 tm? -85.93 137.22 32.9 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.287 -0.415 . . . . 64.43 110.39 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.519 ' N ' HD13 ' A' ' 47' ' ' LEU . 39.8 mt-10 . . . . . 0 C--O 1.253 1.284 0 CA-C-O 118.788 -0.625 . . . . 63.24 112.555 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 ttp . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 120.546 0.212 . . . . 60.42 110.951 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG21 ' HA ' ' A' ' 37' ' ' TYR . 16.2 tt -89.96 144.37 9.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 121.012 0.434 . . . . 72.45 112.013 179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 p -108.67 163.55 13.15 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 116.323 -0.398 . . . . 73.0 111.519 176.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -52.81 -41.69 64.4 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.802 0.334 . . . . 64.13 111.841 -179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.74 -44.7 86.25 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.873 0.368 . . . . 72.35 111.471 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -67.59 -32.34 73.01 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.59 0.233 . . . . 75.02 111.577 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -60.87 -43.01 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.232 0.539 . . . . 70.14 110.453 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.82 88.82 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.143 0.497 . . . . 62.42 110.692 175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 27.9 tpt180 -60.03 -41.56 92.48 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 115.893 -0.594 . . . . 75.51 110.857 175.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.71 -47.81 91.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 116.632 -0.258 . . . . 74.3 111.26 176.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 55.7 m-80 -57.22 -45.5 83.78 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-O 120.644 0.259 . . . . 73.1 111.365 176.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -58.34 -52.74 64.34 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 121.014 0.435 . . . . 74.42 111.387 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 26' ' ' GLU . 82.1 mt -64.21 -27.91 69.38 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 116.177 -0.465 . . . . 72.43 111.333 179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.01 77.28 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.133 0.492 . . . . 72.22 110.854 175.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.85 -45.36 86.44 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.182 0.515 . . . . 71.01 110.461 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.425 ' HD2' HD23 ' A' ' 13' ' ' LEU . 67.4 mttm -58.82 -44.26 90.82 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.075 -0.511 . . . . 73.35 111.199 175.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.32 -47.43 85.98 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.923 0.392 . . . . 72.4 111.228 177.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -61.46 -31.47 71.43 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.998 0.428 . . . . 62.21 111.208 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.6 -12.11 40.72 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 116.381 -0.372 . . . . 43.51 111.894 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.44 0.98 80.79 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 121.477 -0.392 . . . . 74.14 113.651 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 m -88.94 9.43 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 112.219 0.452 . . . . 65.04 112.219 -175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -80.52 135.91 24.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-O 120.888 0.375 . . . . 73.12 111.181 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.418 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 29.8 p -82.94 161.33 21.85 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.106 0.479 . . . . 65.25 111.229 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -59.7 -35.74 75.12 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.15 0.5 . . . . 71.01 111.314 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.1 -44.72 79.27 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.954 -0.567 . . . . 71.51 110.965 176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.549 ' HB3' HD22 ' A' ' 13' ' ' LEU . 61.6 mt-10 -64.03 -33.96 76.93 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.981 0.42 . . . . 75.21 111.152 176.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 23' ' ' THR . 9.8 mtpm? -62.93 -44.93 94.75 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.45 -0.341 . . . . 73.44 110.79 174.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.03 90.09 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 121.157 0.503 . . . . 64.01 110.781 174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -56.34 -51.98 66.24 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.901 -0.59 . . . . 73.1 111.289 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.455 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 36.6 tt0 -54.09 -49.51 68.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 116.508 -0.315 . . . . 72.3 111.49 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -58.34 -47.47 83.65 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.844 0.354 . . . . 64.43 110.868 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.71 -50.65 69.74 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.195 -0.457 . . . . 74.04 111.366 178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.83 -30.3 71.39 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.122 -0.49 . . . . 73.44 111.597 179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 48.0 mtp85 -64.8 -41.14 96.04 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.522 0.201 . . . . 61.1 111.518 176.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.22 -43.3 95.38 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 122.081 -0.387 . . . . 71.33 110.838 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.95 -31.14 71.45 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 120.868 0.366 . . . . 63.44 111.327 174.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.477 ' HA ' HG21 ' A' ' 2' ' ' ILE . 87.5 t80 -68.65 -36.88 79.17 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.12 -0.491 . . . . 74.02 111.172 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 89.1 mt -68.59 -30.15 68.83 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.901 0.382 . . . . 72.43 111.401 177.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -64.18 96.29 0.15 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.095 0.474 . . . . 62.22 111.466 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.35 -3.55 43.6 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.146 -0.549 . . . . 61.32 113.017 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -94.96 152.75 18.07 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 122.44 0.296 . . . . 64.14 110.624 178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.79 -4.87 0.77 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 113.805 1.039 . . . . 55.2 113.805 -175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.3 t -68.28 104.2 1.79 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.023 0.44 . . . . 72.14 111.462 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 79.2 p -71.62 89.23 0.98 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.185 -0.461 . . . . 65.04 111.028 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 94.0 mmm -85.14 -44.01 13.34 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.948 0.404 . . . . 72.14 111.612 -178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HD2' ' HG3' ' A' ' 48' ' ' GLU . 3.2 tmtp? -92.8 90.08 6.88 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.007 0.432 . . . . 63.43 110.102 178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.7 mt -79.74 116.35 19.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 121.012 0.434 . . . . 73.51 111.85 -177.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HG3' ' HD2' ' A' ' 46' ' ' LYS . 54.8 mt-10 . . . . . 0 C--O 1.252 1.235 0 CA-C-O 118.584 -0.722 . . . . 75.34 110.913 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.601 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 120.841 0.353 . . . . 72.23 111.022 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.596 ' HA ' ' HD2' ' A' ' 6' ' ' LYS . 18.2 tt -93.74 152.13 3.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 N-CA-C 112.731 0.641 . . . . 70.14 112.731 -173.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -132.87 171.14 14.32 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.617 -0.72 . . . . 71.43 110.245 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -54.22 -37.56 64.73 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 111.712 0.264 . . . . 75.2 111.712 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.94 91.17 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 64.02 111.452 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.596 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 98.4 mttt -68.68 -39.14 80.72 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.185 -0.461 . . . . 54.35 111.155 177.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.88 -44.18 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-O 121.093 0.473 . . . . 74.11 110.677 175.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.52 -38.95 75.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.227 -0.442 . . . . 50.31 111.192 176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -65.08 -44.83 87.64 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 116.244 -0.434 . . . . 72.31 111.034 176.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.54 -45.74 93.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-O 120.816 0.341 . . . . 73.42 111.211 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -58.78 -42.53 89.2 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.309 0.576 . . . . 72.44 111.189 176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 16' ' ' LYS . 34.7 tt0 -60.84 -60.72 3.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.821 -0.627 . . . . 72.43 111.534 176.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 26' ' ' GLU . 81.5 mt -61.6 -28.95 69.72 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.926 -0.579 . . . . 74.53 111.793 -176.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.41 -46.07 90.27 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.054 0.454 . . . . 74.22 110.793 174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.16 -48.25 79.21 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.935 0.398 . . . . 64.11 110.914 175.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 12' ' ' GLU . 6.4 mtpm? -58.82 -32.67 69.59 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 116.265 -0.425 . . . . 73.21 110.802 177.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.78 -41.66 74.81 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.295 -0.411 . . . . 73.35 111.387 176.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -70.02 -27.14 64.43 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 120.736 0.303 . . . . 62.52 111.346 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.42 -14.03 33.72 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 120.885 0.374 . . . . 60.14 111.838 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.96 -8.47 73.04 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 121.231 -0.509 . . . . 60.34 113.317 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' O ' ' NZ ' ' A' ' 16' ' ' LYS . 34.6 m -83.34 27.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 N-CA-C 112.196 0.443 . . . . 63.3 112.196 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.0 tt -103.81 127.27 58.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-O 120.8 0.333 . . . . 74.24 110.79 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 32.2 p -74.82 161.93 29.13 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.911 -0.493 . . . . 71.4 111.454 -179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -59.29 -34.77 72.69 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.261 0.553 . . . . 72.34 110.838 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -71.19 -42.66 68.73 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.906 -0.588 . . . . 73.52 111.25 176.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.523 ' HB3' HD22 ' A' ' 13' ' ' LEU . 50.6 mt-10 -61.52 -35.45 77.76 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.662 0.267 . . . . 73.4 111.02 175.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 23' ' ' THR . 58.6 mtpt -63.24 -37.49 87.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 120.799 0.333 . . . . 74.51 110.811 174.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.69 -38.25 76.92 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.175 -0.466 . . . . 72.1 111.333 175.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -64.98 -46.38 81.73 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.106 0.479 . . . . 73.1 110.251 177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.581 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -55.91 -49.92 72.11 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.078 -0.51 . . . . 75.4 110.219 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -49.59 -60.89 2.46 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.76 -0.655 . . . . 73.14 111.374 175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.6 tttp -47.82 -46.72 31.13 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.138 0.575 . . . . 65.43 111.799 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.3 mt -74.58 -25.56 59.36 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.081 -0.509 . . . . 53.31 112.351 -177.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.581 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 58.9 mtp180 -68.67 -37.98 80.04 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 122.019 -0.426 . . . . 64.23 110.805 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.508 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.8 mp0 -59.64 -45.68 91.28 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.93 -0.396 . . . . 53.03 109.93 170.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 39' ' ' LYS . 6.0 mm-40 -54.24 -40.08 67.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.002 0.429 . . . . 64.12 111.21 173.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -67.8 -31.67 71.7 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.04 -0.527 . . . . 74.43 111.409 177.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.7 mt -86.38 -12.63 48.72 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.418 0.525 . . . . 41.43 112.418 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 33.4 mmtp -56.39 92.42 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 121.009 0.433 . . . . 71.0 111.287 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.46 14.98 81.87 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 121.08 -0.581 . . . . 73.44 113.452 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -59.18 -52.85 63.93 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.284 0.564 . . . . 63.24 110.486 176.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -110.73 156.27 21.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 73.35 109.803 170.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.4 t 64.05 27.66 14.21 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 121.008 0.432 . . . . 72.34 110.57 -173.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.8 p -49.46 116.87 1.91 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.862 -0.608 . . . . 33.22 111.304 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.6 tpt -70.11 104.97 2.74 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.491 0.552 . . . . 73.34 112.491 -171.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -126.82 -178.33 4.35 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.073 -0.512 . . . . 74.51 110.036 170.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.17 115.61 13.85 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 120.881 0.372 . . . . 73.12 111.298 178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 . . . . . 0 C--O 1.253 1.278 0 CA-C-O 118.677 -0.678 . . . . 74.14 110.451 -179.665 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 mmt . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 120.772 0.32 . . . . 74.2 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 6' ' ' LYS . 14.3 tt -70.47 140.46 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 CA-C-O 120.924 0.392 . . . . 53.45 111.221 174.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.2 t -111.43 168.2 9.72 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.994 0.426 . . . . 64.32 111.461 177.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -55.88 -25.75 44.04 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.739 0.644 . . . . 63.22 112.739 -175.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.42 -47.43 85.77 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.049 0.452 . . . . 53.42 111.723 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' HB2' HG13 ' A' ' 2' ' ' ILE . 64.0 mttp -71.91 -40.36 68.88 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.432 -0.349 . . . . 52.44 111.386 177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 67.5 mt -54.88 -46.65 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 CA-C-O 121.063 0.459 . . . . 62.23 111.097 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.26 90.9 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.857 0.361 . . . . 60.25 111.302 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -67.84 -31.83 71.93 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 111.617 0.229 . . . . 73.13 111.617 178.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.43 -49.7 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 120.839 0.352 . . . . 72.51 110.383 173.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -61.32 -39.08 89.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.232 -0.44 . . . . 72.35 111.329 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -54.57 -54.31 42.96 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.519 0.676 . . . . 71.23 110.899 173.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD23 ' HD2' ' A' ' 16' ' ' LYS . 84.0 mt -72.27 -22.15 61.26 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.735 -0.666 . . . . 61.02 111.69 -179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.08 -43.77 67.08 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.918 0.39 . . . . 53.54 110.93 175.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.9 77.28 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.213 0.53 . . . . 72.21 110.33 173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.575 ' HB3' ' HB ' ' A' ' 22' ' ' ILE . 52.5 mttm -55.51 -45.2 77.1 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.753 -0.658 . . . . 75.23 111.802 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.25 -45.2 94.09 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.36 -0.382 . . . . 43.13 111.985 -179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -72.77 -40.04 66.28 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 120.768 0.318 . . . . 74.43 111.748 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.53 -16.27 61.77 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.003 0.43 . . . . 61.34 111.752 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.98 9.3 86.43 Favored Glycine 0 CA--C 1.529 0.962 0 C-N-CA 121.294 -0.479 . . . . 64.32 113.448 178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.0 m -94.11 20.95 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 120.963 0.411 . . . . 55.55 111.75 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 16' ' ' LYS . 18.0 tt -104.3 133.48 48.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 CA-C-O 121.078 0.466 . . . . 75.42 111.518 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.9 p -93.02 165.24 12.95 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 120.985 0.421 . . . . 74.31 111.825 177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.67 -30.42 67.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.318 -0.401 . . . . 70.22 111.826 -178.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.17 -50.32 48.69 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.838 0.352 . . . . 64.54 111.14 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -58.7 -38.31 78.01 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.321 0.582 . . . . 70.01 110.599 176.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.477 ' HG3' HG12 ' A' ' 22' ' ' ILE . 58.3 mtpt -64.27 -35.59 81.32 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 115.976 -0.556 . . . . 71.55 111.087 174.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.3 93.57 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.368 -0.378 . . . . 41.43 111.094 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.0 tt0 -67.32 -37.77 83.85 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.629 -0.259 . . . . 74.51 110.408 175.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -54.69 -41.07 69.78 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.307 0.575 . . . . 75.11 110.453 172.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.513 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 61.8 tt0 -63.77 -47.99 78.75 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 116.101 -0.5 . . . . 71.21 110.686 174.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -53.69 -46.86 70.83 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 115.934 -0.575 . . . . 74.01 111.438 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 65.5 mt -63.17 -43.07 99.28 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.991 -0.55 . . . . 70.22 111.151 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.44 ' HE ' ' HA ' ' A' ' 31' ' ' GLN . 91.0 mtm180 -64.49 -29.9 70.94 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.187 -0.46 . . . . 74.45 111.759 179.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 87.9 mm-40 -61.35 -54.1 48.14 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.852 0.358 . . . . 71.11 110.227 173.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -53.66 -39.2 64.88 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 121.496 0.665 . . . . 70.04 110.897 173.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 41' ' ' PHE . 83.4 t80 -65.89 -35.23 80.07 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.309 -0.859 . . . . 62.4 111.857 178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.97 -3.13 56.28 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.909 0.707 . . . . 74.22 112.909 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 2.7 mmmp? -60.14 91.22 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.8 0 CA-C-O 121.043 0.449 . . . . 72.22 111.198 176.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.8 20.82 78.92 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 121.041 -0.6 . . . . 61.25 113.728 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 37' ' ' TYR . 79.3 t80 -72.12 -56.93 4.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.012 0.434 . . . . 75.33 111.74 -178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -72.77 -66.9 0.61 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.349 -0.387 . . . . 75.53 111.06 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 p -84.0 93.18 8.01 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.421 0.629 . . . . 71.32 110.71 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 p -74.33 152.96 39.51 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.82 -0.627 . . . . 73.51 112.292 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.533 ' SD ' ' N ' ' A' ' 45' ' ' MET . 1.3 mpt? -73.26 -36.35 66.36 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.005 -0.543 . . . . 65.13 111.597 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? 60.67 91.89 0.05 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 116.114 -0.494 . . . . 72.03 110.809 -174.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 tt -173.7 107.42 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.053 -0.521 . . . . 73.12 109.964 -175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.252 1.194 0 CA-C-O 119.074 -0.489 . . . . 72.2 111.742 179.581 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.695 0.283 . . . . 75.5 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 3' ' ' SER . 10.6 tp -83.98 154.97 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.644 0.735 . . . . 75.3 112.558 -174.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.4 ' N ' HG13 ' A' ' 2' ' ' ILE . 98.3 p -145.12 155.94 43.6 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.53 -0.759 . . . . 71.04 109.394 175.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -55.5 -34.9 65.03 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 120.892 0.377 . . . . 74.11 111.67 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.06 97.06 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.877 0.37 . . . . 75.42 110.856 174.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -64.89 -37.76 88.72 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.405 -0.361 . . . . 71.54 111.348 176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.15 -46.55 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-O 120.939 0.4 . . . . 73.01 111.27 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.89 -46.08 82.14 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.06 0.457 . . . . 52.31 110.783 174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -59.04 -42.24 89.78 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.957 -0.565 . . . . 73.41 111.534 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.1 mt -57.89 -45.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 120.695 0.283 . . . . 71.25 111.293 177.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -68.08 -32.93 73.61 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 111.821 0.304 . . . . 72.24 111.821 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.24 -50.54 71.34 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.089 0.471 . . . . 75.45 110.785 175.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.77 -40.79 88.32 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.029 -0.532 . . . . 72.54 111.008 177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.87 -42.18 84.01 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.314 -0.403 . . . . 61.3 111.128 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -34.38 74.46 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.216 0.532 . . . . 54.11 111.073 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -68.0 -36.7 80.44 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.246 -0.434 . . . . 74.52 111.068 175.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.49 -33.97 62.97 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 116.303 -0.408 . . . . 73.11 111.556 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -68.36 -38.56 81.53 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.859 0.362 . . . . 74.32 110.783 176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.1 -47.79 48.71 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 120.981 0.419 . . . . 74.31 110.984 173.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.12 34.52 2.94 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-N 116.197 -0.456 . . . . 61.53 113.131 -178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -114.94 -7.97 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 122.359 -0.494 . . . . 74.22 112.173 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.7 tt -72.54 140.01 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.663 0 N-CA-C 112.629 0.603 . . . . 73.15 112.629 -171.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.8 p -95.2 163.67 13.18 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 116.357 -0.383 . . . . 33.32 111.854 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -60.25 -34.78 74.17 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.139 0.422 . . . . 72.42 112.139 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -60.2 -50.12 74.91 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.101 0.477 . . . . 73.12 110.776 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.93 -35.85 81.47 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.091 -0.504 . . . . 53.41 111.074 176.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -69.17 -30.28 68.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.632 -0.258 . . . . 73.21 111.663 176.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.45 -47.39 70.27 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.301 0.572 . . . . 73.43 110.419 174.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.05 -50.4 73.56 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.576 -0.738 . . . . 74.11 110.669 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.527 HE21 ' NH1' ' A' ' 34' ' ' ARG . 46.1 tt0 -53.57 -44.34 69.24 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.973 -0.558 . . . . 63.32 111.506 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.552 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 30.1 tt0 -58.34 -52.41 65.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.363 -0.381 . . . . 34.3 110.87 177.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -57.99 -47.07 84.11 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.128 -0.487 . . . . 71.12 111.831 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 99.2 mt -65.03 -37.26 87.01 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.5 -0.318 . . . . 74.02 111.659 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.527 ' NH1' HE21 ' A' ' 30' ' ' GLN . 87.6 mtt180 -65.89 -35.57 81.01 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 121.258 -0.177 . . . . 73.42 111.271 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 81.1 mm-40 -61.25 -44.24 97.56 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.976 0.417 . . . . 71.42 110.18 174.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 33' ' ' LEU . 6.4 mm-40 -51.23 -42.79 61.22 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.414 0.626 . . . . 74.13 110.76 172.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -69.82 -36.77 75.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.289 -0.869 . . . . 64.32 111.339 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 96.6 mt -77.94 -9.17 58.96 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 116.162 -0.472 . . . . 45.13 112.255 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 32.2 mmmt -57.97 99.51 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.006 0.432 . . . . 75.22 110.942 175.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.14 19.87 40.98 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 121.422 -0.418 . . . . 65.4 113.104 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -72.92 115.38 12.16 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 122.597 -0.355 . . . . 53.13 111.478 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 57.68 28.49 15.87 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.888 0.699 . . . . 72.44 112.888 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p 70.4 -48.53 0.64 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 124.206 1.002 . . . . 42.11 113.417 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.5 m -69.29 97.95 1.0 Allowed 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.118 0.414 . . . . 72.21 112.118 -176.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 57.5 mtt -88.88 -33.55 17.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.282 -0.417 . . . . 63.21 110.924 174.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 61.58 22.74 13.16 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.983 0.513 . . . . 71.53 112.052 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.6 tp -90.09 147.91 23.34 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 116.362 -0.381 . . . . 72.3 110.867 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 C--O 1.251 1.178 0 CA-C-O 118.474 -0.774 . . . . 73.13 111.603 177.437 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 112.044 0.387 . . . . 70.12 112.044 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.5 tt -98.08 124.16 50.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 121.116 0.484 . . . . 72.12 111.005 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -80.15 147.87 31.16 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.828 0.347 . . . . 61.24 111.651 177.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -58.66 -20.2 45.91 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 120.85 0.357 . . . . 73.24 110.947 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.6 99.74 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.216 -0.447 . . . . 71.34 110.945 172.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.464 ' O ' HG13 ' A' ' 10' ' ' ILE . 67.8 mttm -66.78 -36.8 83.24 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.896 0.379 . . . . 61.43 110.683 176.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.19 -43.32 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.063 0.459 . . . . 63.11 110.402 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.57 86.39 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.076 -0.511 . . . . 64.05 110.776 174.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 15.8 tpt180 -61.95 -41.16 97.66 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.179 -0.464 . . . . 75.21 110.954 175.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 6' ' ' LYS . 78.2 mt -55.94 -44.95 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 120.761 0.315 . . . . 75.31 110.843 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -66.69 -40.0 88.33 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.99 0.424 . . . . 63.1 111.152 177.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -56.1 -48.62 75.82 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.488 0.661 . . . . 71.34 110.661 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD22 ' HB3' ' A' ' 26' ' ' GLU . 72.4 mt -72.16 -29.82 64.4 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.65 -0.704 . . . . 74.52 111.308 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.9 99.64 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 70.42 110.458 173.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.51 -50.24 74.33 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.048 0.452 . . . . 64.31 110.848 174.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -57.68 -35.1 70.13 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.587 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.88 -39.9 79.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 120.954 0.407 . . . . 65.4 111.365 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -65.93 -41.85 90.82 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.457 -0.338 . . . . 71.35 111.009 176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.32 -29.07 59.9 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.939 0.4 . . . . 43.11 111.759 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.76 4.42 63.62 Favored Glycine 0 CA--C 1.53 0.99 0 CA-C-N 116.598 -0.274 . . . . 52.21 113.405 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.4 m -90.93 15.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 112.248 0.462 . . . . 73.13 112.248 -176.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 tt -85.74 128.4 39.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-O 121.205 0.526 . . . . 73.12 111.755 -178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 70.9 p -87.15 168.06 13.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 120.906 0.384 . . . . 73.25 111.693 -177.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.93 -42.98 95.16 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 116.339 -0.391 . . . . 73.14 111.528 -177.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -60.83 -42.98 98.81 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.117 0.484 . . . . 75.35 110.95 177.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HB3' HD22 ' A' ' 13' ' ' LEU . 14.3 mm-40 -61.83 -45.75 92.45 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.109 -0.496 . . . . 62.24 111.122 177.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' THR . 54.3 mtpt -62.89 -44.14 96.89 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.884 0.373 . . . . 71.25 111.573 178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.49 -47.56 83.68 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.993 0.425 . . . . 71.04 111.333 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 33' ' ' LEU . 27.9 tt0 -67.02 -42.89 84.16 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.33 -0.395 . . . . 72.44 111.011 177.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.5 tt0 -51.89 -49.88 62.13 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.972 0.415 . . . . 55.54 111.067 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 54.1 tt0 -58.67 -48.7 80.2 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.308 178.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -63.51 -36.48 83.9 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 120.801 0.334 . . . . 70.34 111.536 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 29' ' ' GLU . 85.2 mt -65.09 -39.56 93.33 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.014 0.435 . . . . 61.55 110.797 175.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 30' ' ' GLN . 70.9 mtp85 -62.92 -36.29 82.91 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.015 0.436 . . . . 74.52 110.633 175.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 17.4 mm100 -63.91 -38.87 92.66 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.355 -0.384 . . . . 75.11 111.144 175.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -62.56 -45.28 93.66 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 120.904 0.383 . . . . 44.5 111.27 173.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -65.5 -44.14 87.98 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 116.129 -0.487 . . . . 74.45 111.714 -178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.88 -44.01 14.73 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.966 0.728 . . . . 61.54 112.966 -176.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.4 mmtm 60.69 32.71 20.3 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.965 0.412 . . . . 64.14 111.84 -175.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -1.41 55.53 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.269 -0.491 . . . . 41.31 112.988 -178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -71.1 95.44 1.23 Allowed 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.108 0.48 . . . . 54.04 111.278 177.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -88.85 99.61 12.52 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-O 121.014 0.435 . . . . 52.31 110.884 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.0 t -80.78 3.5 22.18 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.004 -0.544 . . . . 52.24 111.698 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.3 t -70.93 176.16 4.54 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.376 0.608 . . . . 73.11 111.921 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 50.2 ttm -145.8 151.49 38.02 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 115.92 -0.582 . . . . 72.35 110.892 -175.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -70.26 82.15 0.54 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.458 0.647 . . . . 64.44 111.006 176.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.5 pp -104.82 171.24 7.43 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 115.674 -0.694 . . . . 71.0 111.013 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 . . . . . 0 C--O 1.254 1.337 0 CA-C-O 119.309 -0.377 . . . . 70.31 111.31 -177.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.6 ttm . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.907 0.385 . . . . 73.12 111.007 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.603 ' HB ' ' HB3' ' A' ' 36' ' ' GLU . 19.1 tt -90.02 131.92 36.02 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.14 0.495 . . . . 75.04 111.563 177.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -118.61 178.1 4.59 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.336 -0.393 . . . . 44.43 111.384 -179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -54.69 -38.69 67.32 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 112.698 0.629 . . . . 61.01 112.698 -176.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.21 -37.24 76.97 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 121.033 0.444 . . . . 64.35 111.463 177.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.575 ' HD2' ' HA ' ' A' ' 2' ' ' ILE . 95.7 mttt -79.14 -43.26 24.37 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.36 -0.382 . . . . 55.14 111.235 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 55.8 mt -63.94 -47.01 92.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 CA-C-O 120.741 0.305 . . . . 71.35 111.308 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.64 -46.4 77.47 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.12 0.486 . . . . 74.1 110.947 174.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -53.48 -42.54 67.37 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 115.796 -0.638 . . . . 74.15 111.091 174.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 6' ' ' LYS . 76.5 mt -59.65 -44.26 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 111.489 0.181 . . . . 64.12 111.489 176.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -58.47 -43.56 88.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.947 0.403 . . . . 74.32 111.077 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG3' ' HE2' ' A' ' 16' ' ' LYS . 14.9 tp10 -59.0 -54.33 48.32 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.921 -0.581 . . . . 72.53 111.077 175.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.75 -35.76 77.22 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.012 -0.54 . . . . 72.32 111.646 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -50.99 71.38 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.317 -0.402 . . . . 32.52 110.725 176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.91 -43.57 73.41 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.042 0.449 . . . . 75.21 110.943 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.459 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 68.1 mttm -61.11 -39.18 89.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 115.992 -0.549 . . . . 63.34 111.422 175.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.06 96.09 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.505 -0.316 . . . . 64.53 111.748 179.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.28 -19.13 58.58 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-O 120.782 0.325 . . . . 75.5 111.489 176.639 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.18 -22.98 26.68 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.877 0.37 . . . . 63.02 111.64 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.55 -0.8 89.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 121.364 -0.446 . . . . 54.05 113.682 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -88.87 12.96 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 112.427 0.529 . . . . 65.53 112.427 -177.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 tt -84.36 126.13 40.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 CA-C-O 121.074 0.464 . . . . 64.1 111.976 -177.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.9 p -81.41 173.24 12.62 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 120.894 0.378 . . . . 74.0 111.287 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' HA ' ' HD2' ' A' ' 27' ' ' LYS . 30.9 mt-10 -65.66 -38.2 88.67 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.216 -0.302 . . . . 65.23 111.324 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -63.96 -40.71 97.04 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.596 0.236 . . . . 71.31 110.983 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.27 -30.93 69.15 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 120.755 0.312 . . . . 71.25 111.034 176.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 24' ' ' GLU . 59.5 mttm -63.26 -48.43 78.24 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.154 0.502 . . . . 72.4 110.567 171.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.24 86.46 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.009 -0.541 . . . . 55.44 110.961 175.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -59.27 -48.91 79.84 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.323 0.583 . . . . 73.11 110.701 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' ARG . 61.6 tt0 -57.52 -52.09 66.8 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.74 -0.664 . . . . 74.32 111.074 177.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.487 ' O ' ' HG2' ' A' ' 35' ' ' GLN . 64.2 tt0 -57.45 -44.54 84.85 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.941 0.4 . . . . 75.12 111.116 177.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -52.69 -56.2 17.21 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.374 0.607 . . . . 63.01 111.263 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.86 -26.45 61.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.675 -0.693 . . . . 65.33 111.891 -177.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 73.3 mtp85 -67.41 -35.38 79.15 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 122.12 -0.362 . . . . 74.21 110.338 172.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.487 ' HG2' ' O ' ' A' ' 31' ' ' GLN . 86.6 mm-40 -63.56 -39.86 95.48 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.018 0.437 . . . . 73.13 110.396 172.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.603 ' HB3' ' HB ' ' A' ' 2' ' ' ILE . 12.5 mm-40 -59.2 -41.96 89.78 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.402 0.62 . . . . 53.3 110.38 172.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -67.08 -29.94 69.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.398 -0.819 . . . . 64.53 111.537 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 34' ' ' ARG . 92.3 mt -80.79 -17.39 51.02 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.346 -0.388 . . . . 73.43 111.588 177.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 35' ' ' GLN . 72.5 mmtt -62.98 106.42 0.82 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.246 0.546 . . . . 71.24 110.535 175.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.38 -32.5 7.26 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 115.887 -0.597 . . . . 70.24 111.844 -173.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.425 ' HB3' ' HA ' ' A' ' 38' ' ' LEU . 89.3 t80 -82.98 129.19 35.0 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 121.289 0.566 . . . . 74.34 111.483 179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 42' ' ' ARG . 3.0 mmp_? -72.78 102.96 3.51 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.235 -0.438 . . . . 62.1 110.297 176.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -63.98 153.2 37.91 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.35 0.595 . . . . 70.24 112.518 -174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.4 t -82.81 -6.79 59.59 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 116.171 -0.468 . . . . 73.03 111.773 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 17.0 ptp -148.02 120.67 8.6 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.031 0.443 . . . . 61.12 111.834 179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.26 101.46 5.79 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 109.683 -0.488 . . . . 72.23 109.683 176.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 pp -160.64 177.24 10.68 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.471 -0.332 . . . . 74.02 111.636 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.664 -0.684 . . . . 73.43 111.239 179.631 . . . . . . . . 0 0 . 1 stop_ save_